USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot 102:sc= 1.02 USER MOD Single : A -4 GLY N :NH3+ -133:sc= 0.11 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc=-0.00946 (180deg=-0.357) USER MOD Single : A 78 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.48) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 140:sc= -0.889 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -40:sc= 0.811 USER MOD Single : A 94 GLN : amide:sc= -0.97 K(o=-0.97,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.0457 X(o=-0.046,f=-0.046) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -176:sc= -3.76! USER MOD Single : A 119 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.82!) USER MOD Single : A 120 SER OG : rot 83:sc= 1.16 USER MOD Single : A 121 CYS SG : rot 65:sc= 0.00229 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -21:sc= 0.00641 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 -13.992 -28.210 -6.254 1.00 0.00 N ATOM 2 CA GLY A -4 -13.953 -27.772 -7.677 1.00 0.00 C ATOM 3 C GLY A -4 -13.591 -26.290 -7.746 1.00 0.00 C ATOM 4 O GLY A -4 -13.206 -25.690 -6.744 1.00 0.00 O ATOM 0 H1 GLY A -4 -13.468 -29.102 -6.151 1.00 0.00 H new ATOM 0 H2 GLY A -4 -13.556 -27.481 -5.654 1.00 0.00 H new ATOM 0 H3 GLY A -4 -14.980 -28.353 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -13.222 -28.362 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -14.921 -27.943 -8.147 1.00 0.00 H new ATOM 10 N PRO A -3 -13.708 -25.704 -8.905 1.00 0.00 N ATOM 11 CA PRO A -3 -13.384 -24.260 -9.118 1.00 0.00 C ATOM 12 C PRO A -3 -14.206 -23.359 -8.201 1.00 0.00 C ATOM 13 O PRO A -3 -13.770 -22.268 -7.825 1.00 0.00 O ATOM 14 CB PRO A -3 -13.737 -24.009 -10.599 1.00 0.00 C ATOM 15 CG PRO A -3 -13.734 -25.364 -11.235 1.00 0.00 C ATOM 16 CD PRO A -3 -14.160 -26.349 -10.149 1.00 0.00 C ATOM 0 HA PRO A -3 -12.342 -24.035 -8.889 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -14.711 -23.530 -10.696 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -13.009 -23.350 -11.072 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -14.420 -25.398 -12.081 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -12.744 -25.612 -11.618 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -15.239 -26.507 -10.151 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -13.695 -27.325 -10.287 1.00 0.00 H new ATOM 24 N LEU A -2 -15.404 -23.813 -7.857 1.00 0.00 N ATOM 25 CA LEU A -2 -16.276 -23.028 -7.003 1.00 0.00 C ATOM 26 C LEU A -2 -15.695 -22.936 -5.596 1.00 0.00 C ATOM 27 O LEU A -2 -15.531 -23.945 -4.916 1.00 0.00 O ATOM 28 CB LEU A -2 -17.668 -23.674 -6.939 1.00 0.00 C ATOM 29 CG LEU A -2 -18.615 -22.800 -6.097 1.00 0.00 C ATOM 30 CD1 LEU A -2 -18.782 -21.419 -6.758 1.00 0.00 C ATOM 31 CD2 LEU A -2 -19.977 -23.490 -5.987 1.00 0.00 C ATOM 0 H LEU A -2 -15.788 -24.710 -8.153 1.00 0.00 H new ATOM 0 HA LEU A -2 -16.360 -22.025 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -18.069 -23.794 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -17.596 -24.671 -6.504 1.00 0.00 H new ATOM 0 HG LEU A -2 -18.193 -22.666 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -19.453 -20.806 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -17.811 -20.930 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -19.200 -21.542 -7.757 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -20.650 -22.874 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -20.397 -23.627 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -19.855 -24.461 -5.508 1.00 0.00 H new ATOM 43 N GLY A -1 -15.399 -21.714 -5.165 1.00 0.00 N ATOM 44 CA GLY A -1 -14.844 -21.488 -3.832 1.00 0.00 C ATOM 45 C GLY A -1 -13.320 -21.508 -3.873 1.00 0.00 C ATOM 46 O GLY A -1 -12.661 -21.042 -2.944 1.00 0.00 O ATOM 0 H GLY A -1 -15.533 -20.866 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -15.190 -20.529 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -15.205 -22.256 -3.147 1.00 0.00 H new ATOM 50 N SER A 0 -12.764 -22.042 -4.957 1.00 0.00 N ATOM 51 CA SER A 0 -11.317 -22.107 -5.109 1.00 0.00 C ATOM 52 C SER A 0 -10.745 -20.728 -5.420 1.00 0.00 C ATOM 53 O SER A 0 -11.386 -19.919 -6.091 1.00 0.00 O ATOM 54 CB SER A 0 -10.949 -23.083 -6.225 1.00 0.00 C ATOM 55 OG SER A 0 -11.375 -24.390 -5.866 1.00 0.00 O ATOM 0 H SER A 0 -13.291 -22.433 -5.738 1.00 0.00 H new ATOM 0 HA SER A 0 -10.890 -22.458 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 0 -11.420 -22.779 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 0 -9.872 -23.072 -6.392 1.00 0.00 H new ATOM 0 HG SER A 0 -12.200 -24.609 -6.348 1.00 0.00 H new ATOM 61 N ARG A 74 -9.538 -20.469 -4.932 1.00 0.00 N ATOM 62 CA ARG A 74 -8.890 -19.185 -5.170 1.00 0.00 C ATOM 63 C ARG A 74 -8.468 -19.056 -6.629 1.00 0.00 C ATOM 64 O ARG A 74 -8.020 -20.024 -7.243 1.00 0.00 O ATOM 65 CB ARG A 74 -7.661 -19.046 -4.269 1.00 0.00 C ATOM 66 CG ARG A 74 -8.109 -18.898 -2.814 1.00 0.00 C ATOM 67 CD ARG A 74 -6.896 -18.602 -1.933 1.00 0.00 C ATOM 68 NE ARG A 74 -6.017 -19.764 -1.871 1.00 0.00 N ATOM 69 CZ ARG A 74 -4.824 -19.693 -1.291 1.00 0.00 C ATOM 70 NH1 ARG A 74 -4.420 -18.569 -0.765 1.00 0.00 N ATOM 71 NH2 ARG A 74 -4.056 -20.747 -1.246 1.00 0.00 N ATOM 0 H ARG A 74 -8.992 -21.125 -4.374 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.603 -18.393 -4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.018 -19.920 -4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.073 -18.179 -4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.839 -18.093 -2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.600 -19.812 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.350 -17.746 -2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.225 -18.333 -0.929 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.324 -20.647 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.020 -17.745 -0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.504 -18.515 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.372 -21.626 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.140 -20.692 -0.801 1.00 0.00 H new ATOM 85 N LYS A 75 -8.617 -17.855 -7.182 1.00 0.00 N ATOM 86 CA LYS A 75 -8.250 -17.617 -8.575 1.00 0.00 C ATOM 87 C LYS A 75 -6.743 -17.761 -8.763 1.00 0.00 C ATOM 88 O LYS A 75 -5.958 -17.320 -7.925 1.00 0.00 O ATOM 89 CB LYS A 75 -8.683 -16.210 -8.992 1.00 0.00 C ATOM 90 CG LYS A 75 -10.210 -16.123 -8.983 1.00 0.00 C ATOM 91 CD LYS A 75 -10.644 -14.718 -9.405 1.00 0.00 C ATOM 92 CE LYS A 75 -12.172 -14.646 -9.453 1.00 0.00 C ATOM 93 NZ LYS A 75 -12.723 -14.816 -8.080 1.00 0.00 N ATOM 0 H LYS A 75 -8.985 -17.039 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.756 -18.355 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.262 -15.471 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.301 -15.980 -9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.631 -16.864 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.592 -16.349 -7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.257 -13.980 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.227 -14.476 -10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.488 -13.688 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.562 -15.422 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.709 -14.487 -8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.687 -15.821 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.158 -14.259 -7.408 1.00 0.00 H new ATOM 107 N ILE A 76 -6.347 -18.383 -9.872 1.00 0.00 N ATOM 108 CA ILE A 76 -4.930 -18.584 -10.161 1.00 0.00 C ATOM 109 C ILE A 76 -4.348 -17.358 -10.846 1.00 0.00 C ATOM 110 O ILE A 76 -4.852 -16.913 -11.877 1.00 0.00 O ATOM 111 CB ILE A 76 -4.750 -19.809 -11.068 1.00 0.00 C ATOM 112 CG1 ILE A 76 -5.287 -21.065 -10.355 1.00 0.00 C ATOM 113 CG2 ILE A 76 -3.271 -19.992 -11.395 1.00 0.00 C ATOM 114 CD1 ILE A 76 -6.814 -21.152 -10.487 1.00 0.00 C ATOM 0 H ILE A 76 -6.982 -18.753 -10.579 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.405 -18.747 -9.220 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.305 -19.658 -11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.829 -21.956 -10.783 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.009 -21.038 -9.301 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.146 -20.862 -12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.899 -19.105 -11.908 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.710 -20.140 -10.472 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.173 -22.046 -9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.269 -20.270 -10.037 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.086 -21.202 -11.541 1.00 0.00 H new ATOM 126 N ALA A 77 -3.281 -16.820 -10.268 1.00 0.00 N ATOM 127 CA ALA A 77 -2.631 -15.645 -10.833 1.00 0.00 C ATOM 128 C ALA A 77 -1.760 -16.036 -12.023 1.00 0.00 C ATOM 129 O ALA A 77 -1.186 -17.124 -12.052 1.00 0.00 O ATOM 130 CB ALA A 77 -1.773 -14.960 -9.770 1.00 0.00 C ATOM 0 H ALA A 77 -2.850 -17.176 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.402 -14.954 -11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.291 -14.083 -10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.404 -14.654 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.012 -15.654 -9.414 1.00 0.00 H new ATOM 136 N GLN A 78 -1.667 -15.143 -13.004 1.00 0.00 N ATOM 137 CA GLN A 78 -0.863 -15.411 -14.192 1.00 0.00 C ATOM 138 C GLN A 78 0.621 -15.384 -13.847 1.00 0.00 C ATOM 139 O GLN A 78 1.075 -14.530 -13.090 1.00 0.00 O ATOM 140 CB GLN A 78 -1.158 -14.355 -15.260 1.00 0.00 C ATOM 141 CG GLN A 78 -2.645 -14.389 -15.621 1.00 0.00 C ATOM 142 CD GLN A 78 -3.014 -15.749 -16.199 1.00 0.00 C ATOM 143 OE1 GLN A 78 -2.289 -16.285 -17.033 1.00 0.00 O ATOM 144 NE2 GLN A 78 -4.102 -16.344 -15.798 1.00 0.00 N ATOM 0 H GLN A 78 -2.133 -14.236 -13.001 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.118 -16.400 -14.572 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.886 -13.366 -14.892 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.554 -14.543 -16.148 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.247 -14.187 -14.735 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.869 -13.605 -16.344 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.702 -15.897 -15.105 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.353 -17.257 -16.177 1.00 0.00 H new ATOM 153 N MET A 79 1.372 -16.327 -14.410 1.00 0.00 N ATOM 154 CA MET A 79 2.806 -16.404 -14.153 1.00 0.00 C ATOM 155 C MET A 79 3.571 -15.506 -15.119 1.00 0.00 C ATOM 156 O MET A 79 3.336 -15.532 -16.327 1.00 0.00 O ATOM 157 CB MET A 79 3.282 -17.850 -14.309 1.00 0.00 C ATOM 158 CG MET A 79 2.578 -18.732 -13.279 1.00 0.00 C ATOM 159 SD MET A 79 3.028 -20.464 -13.558 1.00 0.00 S ATOM 160 CE MET A 79 1.969 -21.183 -12.278 1.00 0.00 C ATOM 0 H MET A 79 1.014 -17.043 -15.042 1.00 0.00 H new ATOM 0 HA MET A 79 2.996 -16.065 -13.135 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.069 -18.208 -15.316 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.362 -17.905 -14.173 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.862 -18.429 -12.271 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.498 -18.609 -13.357 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.090 -22.266 -12.272 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.251 -20.781 -11.305 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.928 -20.935 -12.485 1.00 0.00 H new ATOM 170 N THR A 80 4.489 -14.711 -14.579 1.00 0.00 N ATOM 171 CA THR A 80 5.284 -13.807 -15.399 1.00 0.00 C ATOM 172 C THR A 80 6.388 -14.574 -16.118 1.00 0.00 C ATOM 173 O THR A 80 6.677 -15.719 -15.783 1.00 0.00 O ATOM 174 CB THR A 80 5.906 -12.716 -14.527 1.00 0.00 C ATOM 175 OG1 THR A 80 6.826 -13.306 -13.620 1.00 0.00 O ATOM 176 CG2 THR A 80 4.805 -12.000 -13.745 1.00 0.00 C ATOM 0 H THR A 80 4.700 -14.675 -13.582 1.00 0.00 H new ATOM 0 HA THR A 80 4.629 -13.348 -16.140 1.00 0.00 H new ATOM 0 HB THR A 80 6.428 -11.997 -15.158 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.619 -12.735 -13.541 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.248 -11.222 -13.123 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.098 -11.549 -14.442 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.283 -12.717 -13.112 1.00 0.00 H new ATOM 184 N GLU A 81 6.998 -13.937 -17.112 1.00 0.00 N ATOM 185 CA GLU A 81 8.062 -14.584 -17.866 1.00 0.00 C ATOM 186 C GLU A 81 9.233 -14.932 -16.955 1.00 0.00 C ATOM 187 O GLU A 81 9.790 -16.026 -17.037 1.00 0.00 O ATOM 188 CB GLU A 81 8.546 -13.655 -18.984 1.00 0.00 C ATOM 189 CG GLU A 81 7.463 -13.537 -20.057 1.00 0.00 C ATOM 190 CD GLU A 81 7.872 -12.501 -21.097 1.00 0.00 C ATOM 191 OE1 GLU A 81 8.825 -11.782 -20.847 1.00 0.00 O ATOM 192 OE2 GLU A 81 7.226 -12.440 -22.130 1.00 0.00 O ATOM 0 H GLU A 81 6.777 -12.987 -17.410 1.00 0.00 H new ATOM 0 HA GLU A 81 7.667 -15.504 -18.298 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.778 -12.671 -18.578 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.465 -14.044 -19.422 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.307 -14.504 -20.536 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.516 -13.251 -19.600 1.00 0.00 H new ATOM 199 N GLU A 82 9.600 -13.997 -16.082 1.00 0.00 N ATOM 200 CA GLU A 82 10.707 -14.233 -15.163 1.00 0.00 C ATOM 201 C GLU A 82 10.357 -15.341 -14.177 1.00 0.00 C ATOM 202 O GLU A 82 11.171 -16.225 -13.901 1.00 0.00 O ATOM 203 CB GLU A 82 11.025 -12.949 -14.395 1.00 0.00 C ATOM 204 CG GLU A 82 11.633 -11.919 -15.348 1.00 0.00 C ATOM 205 CD GLU A 82 11.814 -10.588 -14.629 1.00 0.00 C ATOM 206 OE1 GLU A 82 11.271 -10.443 -13.547 1.00 0.00 O ATOM 207 OE2 GLU A 82 12.494 -9.733 -15.171 1.00 0.00 O ATOM 0 H GLU A 82 9.155 -13.084 -15.993 1.00 0.00 H new ATOM 0 HA GLU A 82 11.578 -14.539 -15.742 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.117 -12.550 -13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.719 -13.162 -13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.594 -12.276 -15.717 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.987 -11.788 -16.216 1.00 0.00 H new ATOM 214 N GLU A 83 9.133 -15.293 -13.657 1.00 0.00 N ATOM 215 CA GLU A 83 8.669 -16.297 -12.708 1.00 0.00 C ATOM 216 C GLU A 83 8.555 -17.660 -13.377 1.00 0.00 C ATOM 217 O GLU A 83 8.884 -18.684 -12.784 1.00 0.00 O ATOM 218 CB GLU A 83 7.313 -15.886 -12.130 1.00 0.00 C ATOM 219 CG GLU A 83 7.492 -14.672 -11.219 1.00 0.00 C ATOM 220 CD GLU A 83 8.210 -15.084 -9.940 1.00 0.00 C ATOM 221 OE1 GLU A 83 8.314 -16.276 -9.699 1.00 0.00 O ATOM 222 OE2 GLU A 83 8.645 -14.203 -9.217 1.00 0.00 O ATOM 0 H GLU A 83 8.447 -14.571 -13.877 1.00 0.00 H new ATOM 0 HA GLU A 83 9.397 -16.368 -11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.619 -15.649 -12.936 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.879 -16.714 -11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.064 -13.901 -11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.520 -14.241 -10.978 1.00 0.00 H new ATOM 229 N GLN A 84 8.082 -17.665 -14.620 1.00 0.00 N ATOM 230 CA GLN A 84 7.919 -18.911 -15.354 1.00 0.00 C ATOM 231 C GLN A 84 9.269 -19.603 -15.517 1.00 0.00 C ATOM 232 O GLN A 84 9.372 -20.817 -15.355 1.00 0.00 O ATOM 233 CB GLN A 84 7.319 -18.621 -16.734 1.00 0.00 C ATOM 234 CG GLN A 84 7.036 -19.942 -17.455 1.00 0.00 C ATOM 235 CD GLN A 84 6.465 -19.667 -18.840 1.00 0.00 C ATOM 236 OE1 GLN A 84 7.111 -19.010 -19.657 1.00 0.00 O ATOM 237 NE2 GLN A 84 5.288 -20.131 -19.155 1.00 0.00 N ATOM 0 H GLN A 84 7.808 -16.828 -15.134 1.00 0.00 H new ATOM 0 HA GLN A 84 7.249 -19.566 -14.797 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.398 -18.047 -16.629 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.008 -18.014 -17.322 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.954 -20.524 -17.540 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.333 -20.539 -16.875 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.756 -20.675 -18.476 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.900 -19.950 -20.081 1.00 0.00 H new ATOM 246 N PHE A 85 10.298 -18.826 -15.837 1.00 0.00 N ATOM 247 CA PHE A 85 11.631 -19.388 -16.011 1.00 0.00 C ATOM 248 C PHE A 85 12.117 -20.039 -14.719 1.00 0.00 C ATOM 249 O PHE A 85 12.586 -21.173 -14.727 1.00 0.00 O ATOM 250 CB PHE A 85 12.608 -18.284 -16.428 1.00 0.00 C ATOM 251 CG PHE A 85 14.018 -18.829 -16.430 1.00 0.00 C ATOM 252 CD1 PHE A 85 14.469 -19.607 -17.501 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.875 -18.550 -15.359 1.00 0.00 C ATOM 254 CE1 PHE A 85 15.772 -20.117 -17.496 1.00 0.00 C ATOM 255 CE2 PHE A 85 16.178 -19.060 -15.354 1.00 0.00 C ATOM 256 CZ PHE A 85 16.631 -19.836 -16.426 1.00 0.00 C ATOM 0 H PHE A 85 10.236 -17.818 -15.980 1.00 0.00 H new ATOM 0 HA PHE A 85 11.585 -20.150 -16.789 1.00 0.00 H new ATOM 0 HB2 PHE A 85 12.350 -17.911 -17.419 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.534 -17.441 -15.741 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.811 -19.814 -18.332 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.530 -17.941 -14.536 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.116 -20.728 -18.318 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.835 -18.854 -14.522 1.00 0.00 H new ATOM 0 HZ PHE A 85 17.641 -20.218 -16.429 1.00 0.00 H new ATOM 266 N ALA A 86 12.004 -19.319 -13.614 1.00 0.00 N ATOM 267 CA ALA A 86 12.441 -19.854 -12.328 1.00 0.00 C ATOM 268 C ALA A 86 11.625 -21.082 -11.961 1.00 0.00 C ATOM 269 O ALA A 86 12.154 -22.069 -11.456 1.00 0.00 O ATOM 270 CB ALA A 86 12.301 -18.791 -11.242 1.00 0.00 C ATOM 0 H ALA A 86 11.619 -18.375 -13.577 1.00 0.00 H new ATOM 0 HA ALA A 86 13.489 -20.142 -12.410 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.630 -19.201 -10.287 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.915 -17.927 -11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.258 -18.484 -11.165 1.00 0.00 H new ATOM 276 N LEU A 87 10.328 -21.013 -12.231 1.00 0.00 N ATOM 277 CA LEU A 87 9.435 -22.124 -11.940 1.00 0.00 C ATOM 278 C LEU A 87 9.812 -23.344 -12.760 1.00 0.00 C ATOM 279 O LEU A 87 9.737 -24.471 -12.277 1.00 0.00 O ATOM 280 CB LEU A 87 7.989 -21.720 -12.246 1.00 0.00 C ATOM 281 CG LEU A 87 7.490 -20.729 -11.181 1.00 0.00 C ATOM 282 CD1 LEU A 87 6.265 -19.980 -11.715 1.00 0.00 C ATOM 283 CD2 LEU A 87 7.094 -21.488 -9.900 1.00 0.00 C ATOM 0 H LEU A 87 9.873 -20.202 -12.650 1.00 0.00 H new ATOM 0 HA LEU A 87 9.527 -22.375 -10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.930 -21.266 -13.235 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.350 -22.603 -12.262 1.00 0.00 H new ATOM 0 HG LEU A 87 8.288 -20.023 -10.953 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.911 -19.277 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.537 -19.435 -12.619 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.474 -20.694 -11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.742 -20.779 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.300 -22.198 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.960 -22.025 -9.513 1.00 0.00 H new ATOM 295 N ALA A 88 10.194 -23.110 -14.009 1.00 0.00 N ATOM 296 CA ALA A 88 10.555 -24.207 -14.895 1.00 0.00 C ATOM 297 C ALA A 88 11.728 -24.991 -14.324 1.00 0.00 C ATOM 298 O ALA A 88 11.716 -26.222 -14.318 1.00 0.00 O ATOM 299 CB ALA A 88 10.947 -23.640 -16.262 1.00 0.00 C ATOM 0 H ALA A 88 10.261 -22.182 -14.427 1.00 0.00 H new ATOM 0 HA ALA A 88 9.700 -24.876 -14.995 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.219 -24.457 -16.930 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.105 -23.091 -16.683 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.797 -22.968 -16.147 1.00 0.00 H new ATOM 305 N LEU A 89 12.731 -24.278 -13.830 1.00 0.00 N ATOM 306 CA LEU A 89 13.898 -24.936 -13.245 1.00 0.00 C ATOM 307 C LEU A 89 13.555 -25.572 -11.912 1.00 0.00 C ATOM 308 O LEU A 89 13.988 -26.688 -11.616 1.00 0.00 O ATOM 309 CB LEU A 89 15.029 -23.908 -13.066 1.00 0.00 C ATOM 310 CG LEU A 89 15.797 -23.747 -14.387 1.00 0.00 C ATOM 311 CD1 LEU A 89 16.609 -25.023 -14.693 1.00 0.00 C ATOM 312 CD2 LEU A 89 14.800 -23.478 -15.530 1.00 0.00 C ATOM 0 H LEU A 89 12.764 -23.259 -13.821 1.00 0.00 H new ATOM 0 HA LEU A 89 14.226 -25.727 -13.919 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.615 -22.949 -12.755 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.707 -24.233 -12.277 1.00 0.00 H new ATOM 0 HG LEU A 89 16.486 -22.907 -14.298 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.148 -24.895 -15.632 1.00 0.00 H new ATOM 0 HD12 LEU A 89 17.321 -25.203 -13.887 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.932 -25.874 -14.776 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.344 -23.364 -16.468 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.107 -24.315 -15.612 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.243 -22.565 -15.320 1.00 0.00 H new ATOM 324 N LYS A 90 12.798 -24.852 -11.104 1.00 0.00 N ATOM 325 CA LYS A 90 12.420 -25.351 -9.792 1.00 0.00 C ATOM 326 C LYS A 90 11.498 -26.549 -9.916 1.00 0.00 C ATOM 327 O LYS A 90 11.618 -27.512 -9.159 1.00 0.00 O ATOM 328 CB LYS A 90 11.727 -24.239 -9.008 1.00 0.00 C ATOM 329 CG LYS A 90 12.720 -23.100 -8.718 1.00 0.00 C ATOM 330 CD LYS A 90 13.655 -23.486 -7.570 1.00 0.00 C ATOM 331 CE LYS A 90 14.511 -22.286 -7.190 1.00 0.00 C ATOM 332 NZ LYS A 90 15.426 -22.674 -6.080 1.00 0.00 N ATOM 0 H LYS A 90 12.434 -23.926 -11.330 1.00 0.00 H new ATOM 0 HA LYS A 90 13.320 -25.667 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.879 -23.857 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.332 -24.635 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.303 -22.881 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.176 -22.191 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.074 -23.819 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.290 -24.320 -7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.087 -21.947 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.877 -21.454 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.015 -21.859 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.866 -22.979 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.037 -23.456 -6.391 1.00 0.00 H new ATOM 346 N MET A 91 10.586 -26.488 -10.873 1.00 0.00 N ATOM 347 CA MET A 91 9.649 -27.581 -11.086 1.00 0.00 C ATOM 348 C MET A 91 10.389 -28.849 -11.484 1.00 0.00 C ATOM 349 O MET A 91 10.061 -29.939 -11.016 1.00 0.00 O ATOM 350 CB MET A 91 8.653 -27.196 -12.188 1.00 0.00 C ATOM 351 CG MET A 91 7.613 -26.217 -11.639 1.00 0.00 C ATOM 352 SD MET A 91 6.358 -27.140 -10.719 1.00 0.00 S ATOM 353 CE MET A 91 5.271 -25.743 -10.355 1.00 0.00 C ATOM 0 H MET A 91 10.474 -25.700 -11.511 1.00 0.00 H new ATOM 0 HA MET A 91 9.112 -27.769 -10.156 1.00 0.00 H new ATOM 0 HB2 MET A 91 9.183 -26.743 -13.026 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.158 -28.089 -12.569 1.00 0.00 H new ATOM 0 HG2 MET A 91 8.092 -25.484 -10.990 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.149 -25.664 -12.456 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.412 -26.090 -9.781 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.817 -24.998 -9.776 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.928 -25.296 -11.288 1.00 0.00 H new ATOM 363 N SER A 92 11.390 -28.701 -12.349 1.00 0.00 N ATOM 364 CA SER A 92 12.159 -29.852 -12.798 1.00 0.00 C ATOM 365 C SER A 92 12.879 -30.506 -11.625 1.00 0.00 C ATOM 366 O SER A 92 12.942 -31.731 -11.531 1.00 0.00 O ATOM 367 CB SER A 92 13.191 -29.403 -13.836 1.00 0.00 C ATOM 368 OG SER A 92 14.096 -28.487 -13.232 1.00 0.00 O ATOM 0 H SER A 92 11.682 -27.808 -12.746 1.00 0.00 H new ATOM 0 HA SER A 92 11.475 -30.576 -13.241 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.733 -30.266 -14.224 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.691 -28.933 -14.683 1.00 0.00 H new ATOM 0 HG SER A 92 13.604 -27.887 -12.634 1.00 0.00 H new ATOM 374 N GLU A 93 13.414 -29.681 -10.727 1.00 0.00 N ATOM 375 CA GLU A 93 14.123 -30.199 -9.566 1.00 0.00 C ATOM 376 C GLU A 93 13.152 -30.845 -8.582 1.00 0.00 C ATOM 377 O GLU A 93 13.421 -31.917 -8.041 1.00 0.00 O ATOM 378 CB GLU A 93 14.874 -29.061 -8.871 1.00 0.00 C ATOM 379 CG GLU A 93 16.014 -28.580 -9.769 1.00 0.00 C ATOM 380 CD GLU A 93 16.708 -27.383 -9.129 1.00 0.00 C ATOM 381 OE1 GLU A 93 16.196 -26.883 -8.143 1.00 0.00 O ATOM 382 OE2 GLU A 93 17.742 -26.982 -9.639 1.00 0.00 O ATOM 0 H GLU A 93 13.370 -28.663 -10.782 1.00 0.00 H new ATOM 0 HA GLU A 93 14.831 -30.956 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.192 -28.238 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.270 -29.403 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.731 -29.386 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.625 -28.305 -10.749 1.00 0.00 H new ATOM 389 N GLN A 94 12.016 -30.190 -8.363 1.00 0.00 N ATOM 390 CA GLN A 94 11.010 -30.714 -7.444 1.00 0.00 C ATOM 391 C GLN A 94 10.473 -32.051 -7.934 1.00 0.00 C ATOM 392 O GLN A 94 10.304 -32.988 -7.154 1.00 0.00 O ATOM 393 CB GLN A 94 9.858 -29.716 -7.309 1.00 0.00 C ATOM 394 CG GLN A 94 10.321 -28.500 -6.505 1.00 0.00 C ATOM 395 CD GLN A 94 9.246 -27.421 -6.531 1.00 0.00 C ATOM 396 OE1 GLN A 94 8.262 -27.500 -5.794 1.00 0.00 O ATOM 397 NE2 GLN A 94 9.378 -26.406 -7.341 1.00 0.00 N ATOM 0 H GLN A 94 11.770 -29.304 -8.804 1.00 0.00 H new ATOM 0 HA GLN A 94 11.479 -30.863 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.518 -29.403 -8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.010 -30.190 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.531 -28.792 -5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.250 -28.110 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.194 -26.343 -7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.666 -25.676 -7.365 1.00 0.00 H new ATOM 406 N GLU A 95 10.227 -32.141 -9.233 1.00 0.00 N ATOM 407 CA GLU A 95 9.725 -33.376 -9.818 1.00 0.00 C ATOM 408 C GLU A 95 10.728 -34.502 -9.629 1.00 0.00 C ATOM 409 O GLU A 95 10.342 -35.638 -9.365 1.00 0.00 O ATOM 410 CB GLU A 95 9.448 -33.179 -11.308 1.00 0.00 C ATOM 411 CG GLU A 95 8.190 -32.331 -11.488 1.00 0.00 C ATOM 412 CD GLU A 95 8.046 -31.914 -12.946 1.00 0.00 C ATOM 413 OE1 GLU A 95 9.004 -32.071 -13.683 1.00 0.00 O ATOM 414 OE2 GLU A 95 6.979 -31.443 -13.306 1.00 0.00 O ATOM 0 H GLU A 95 10.365 -31.380 -9.898 1.00 0.00 H new ATOM 0 HA GLU A 95 8.797 -33.642 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.298 -32.692 -11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.320 -34.146 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.312 -32.897 -11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.243 -31.447 -10.852 1.00 0.00 H new ATOM 421 N ALA A 96 12.013 -34.181 -9.769 1.00 0.00 N ATOM 422 CA ALA A 96 13.064 -35.179 -9.616 1.00 0.00 C ATOM 423 C ALA A 96 13.065 -35.740 -8.195 1.00 0.00 C ATOM 424 O ALA A 96 13.298 -36.930 -7.982 1.00 0.00 O ATOM 425 CB ALA A 96 14.421 -34.560 -9.927 1.00 0.00 C ATOM 0 H ALA A 96 12.348 -33.242 -9.987 1.00 0.00 H new ATOM 0 HA ALA A 96 12.873 -35.993 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.200 -35.313 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.426 -34.190 -10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.610 -33.734 -9.242 1.00 0.00 H new ATOM 431 N ARG A 97 12.821 -34.873 -7.225 1.00 0.00 N ATOM 432 CA ARG A 97 12.801 -35.293 -5.828 1.00 0.00 C ATOM 433 C ARG A 97 11.555 -36.107 -5.522 1.00 0.00 C ATOM 434 O ARG A 97 11.540 -36.908 -4.590 1.00 0.00 O ATOM 435 CB ARG A 97 12.877 -34.061 -4.905 1.00 0.00 C ATOM 436 CG ARG A 97 14.342 -33.680 -4.637 1.00 0.00 C ATOM 437 CD ARG A 97 14.906 -32.934 -5.843 1.00 0.00 C ATOM 438 NE ARG A 97 16.332 -32.706 -5.665 1.00 0.00 N ATOM 439 CZ ARG A 97 17.025 -31.982 -6.534 1.00 0.00 C ATOM 440 NH1 ARG A 97 16.428 -31.460 -7.568 1.00 0.00 N ATOM 441 NH2 ARG A 97 18.301 -31.792 -6.354 1.00 0.00 N ATOM 0 H ARG A 97 12.635 -33.881 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 97 13.670 -35.926 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.355 -33.222 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.372 -34.273 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.409 -33.055 -3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.932 -34.576 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.732 -33.511 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.390 -31.982 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 97 16.807 -33.110 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.429 -31.608 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.960 -30.903 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.768 -32.200 -5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.833 -31.235 -7.023 1.00 0.00 H new ATOM 455 N GLU A 98 10.513 -35.893 -6.307 1.00 0.00 N ATOM 456 CA GLU A 98 9.266 -36.615 -6.109 1.00 0.00 C ATOM 457 C GLU A 98 9.390 -38.056 -6.566 1.00 0.00 C ATOM 458 O GLU A 98 8.522 -38.886 -6.299 1.00 0.00 O ATOM 459 CB GLU A 98 8.128 -35.921 -6.866 1.00 0.00 C ATOM 460 CG GLU A 98 7.712 -34.647 -6.127 1.00 0.00 C ATOM 461 CD GLU A 98 6.764 -33.827 -6.994 1.00 0.00 C ATOM 462 OE1 GLU A 98 6.716 -34.079 -8.187 1.00 0.00 O ATOM 463 OE2 GLU A 98 6.097 -32.960 -6.453 1.00 0.00 O ATOM 0 H GLU A 98 10.504 -35.230 -7.082 1.00 0.00 H new ATOM 0 HA GLU A 98 9.041 -36.614 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.449 -35.676 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.276 -36.594 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.226 -34.905 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.594 -34.056 -5.879 1.00 0.00 H new ATOM 470 N VAL A 99 10.477 -38.347 -7.242 1.00 0.00 N ATOM 471 CA VAL A 99 10.742 -39.696 -7.738 1.00 0.00 C ATOM 472 C VAL A 99 11.353 -40.563 -6.642 1.00 0.00 C ATOM 473 O VAL A 99 11.925 -40.048 -5.684 1.00 0.00 O ATOM 474 CB VAL A 99 11.671 -39.664 -8.951 1.00 0.00 C ATOM 475 CG1 VAL A 99 11.557 -40.977 -9.727 1.00 0.00 C ATOM 476 CG2 VAL A 99 11.278 -38.503 -9.857 1.00 0.00 C ATOM 0 H VAL A 99 11.204 -37.668 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 99 9.789 -40.129 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 99 12.700 -39.535 -8.614 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.222 -40.948 -10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.839 -41.808 -9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 99 10.529 -41.112 -10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.939 -38.478 -10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.248 -38.634 -10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.365 -37.566 -9.307 1.00 0.00 H new ATOM 486 N ASN A 100 11.219 -41.878 -6.784 1.00 0.00 N ATOM 487 CA ASN A 100 11.750 -42.798 -5.785 1.00 0.00 C ATOM 488 C ASN A 100 13.193 -42.442 -5.450 1.00 0.00 C ATOM 489 O ASN A 100 13.853 -41.711 -6.188 1.00 0.00 O ATOM 490 CB ASN A 100 11.697 -44.230 -6.323 1.00 0.00 C ATOM 491 CG ASN A 100 10.256 -44.641 -6.587 1.00 0.00 C ATOM 492 OD1 ASN A 100 9.873 -44.862 -7.735 1.00 0.00 O ATOM 493 ND2 ASN A 100 9.434 -44.765 -5.584 1.00 0.00 N ATOM 0 H ASN A 100 10.752 -42.327 -7.572 1.00 0.00 H new ATOM 0 HA ASN A 100 11.144 -42.720 -4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.277 -44.302 -7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.152 -44.913 -5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.468 -45.047 -5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.757 -44.581 -4.634 1.00 0.00 H new ATOM 500 N SER A 101 13.661 -42.929 -4.303 1.00 0.00 N ATOM 501 CA SER A 101 15.013 -42.624 -3.859 1.00 0.00 C ATOM 502 C SER A 101 16.037 -43.146 -4.857 1.00 0.00 C ATOM 503 O SER A 101 17.163 -42.658 -4.912 1.00 0.00 O ATOM 504 CB SER A 101 15.267 -43.264 -2.492 1.00 0.00 C ATOM 505 OG SER A 101 15.232 -44.678 -2.621 1.00 0.00 O ATOM 0 H SER A 101 13.129 -43.529 -3.673 1.00 0.00 H new ATOM 0 HA SER A 101 15.114 -41.541 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.235 -42.947 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.513 -42.934 -1.777 1.00 0.00 H new ATOM 0 HG SER A 101 15.396 -45.090 -1.747 1.00 0.00 H new ATOM 511 N GLN A 102 15.643 -44.156 -5.633 1.00 0.00 N ATOM 512 CA GLN A 102 16.555 -44.740 -6.605 1.00 0.00 C ATOM 513 C GLN A 102 16.973 -43.709 -7.648 1.00 0.00 C ATOM 514 O GLN A 102 18.157 -43.581 -7.967 1.00 0.00 O ATOM 515 CB GLN A 102 15.856 -45.911 -7.304 1.00 0.00 C ATOM 516 CG GLN A 102 15.688 -47.073 -6.325 1.00 0.00 C ATOM 517 CD GLN A 102 17.049 -47.668 -5.984 1.00 0.00 C ATOM 518 OE1 GLN A 102 17.535 -47.511 -4.865 1.00 0.00 O ATOM 519 NE2 GLN A 102 17.695 -48.349 -6.891 1.00 0.00 N ATOM 0 H GLN A 102 14.715 -44.578 -5.606 1.00 0.00 H new ATOM 0 HA GLN A 102 17.448 -45.086 -6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 102 14.882 -45.595 -7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 102 16.439 -46.232 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 102 15.196 -46.726 -5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 102 15.047 -47.838 -6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 102 17.289 -48.477 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 102 18.606 -48.753 -6.673 1.00 0.00 H new ATOM 528 N GLU A 103 16.012 -42.950 -8.140 1.00 0.00 N ATOM 529 CA GLU A 103 16.290 -41.897 -9.115 1.00 0.00 C ATOM 530 C GLU A 103 16.914 -40.683 -8.447 1.00 0.00 C ATOM 531 O GLU A 103 17.701 -39.955 -9.056 1.00 0.00 O ATOM 532 CB GLU A 103 15.006 -41.500 -9.845 1.00 0.00 C ATOM 533 CG GLU A 103 14.596 -42.616 -10.814 1.00 0.00 C ATOM 534 CD GLU A 103 14.042 -43.801 -10.039 1.00 0.00 C ATOM 535 OE1 GLU A 103 13.759 -43.634 -8.867 1.00 0.00 O ATOM 536 OE2 GLU A 103 13.914 -44.863 -10.626 1.00 0.00 O ATOM 0 H GLU A 103 15.029 -43.038 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 103 17.004 -42.287 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.208 -41.319 -9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.160 -40.569 -10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.846 -42.245 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.456 -42.928 -11.406 1.00 0.00 H new ATOM 543 N GLU A 104 16.537 -40.455 -7.198 1.00 0.00 N ATOM 544 CA GLU A 104 17.037 -39.309 -6.456 1.00 0.00 C ATOM 545 C GLU A 104 18.556 -39.382 -6.323 1.00 0.00 C ATOM 546 O GLU A 104 19.240 -38.360 -6.366 1.00 0.00 O ATOM 547 CB GLU A 104 16.402 -39.268 -5.063 1.00 0.00 C ATOM 548 CG GLU A 104 16.730 -37.932 -4.383 1.00 0.00 C ATOM 549 CD GLU A 104 18.164 -37.949 -3.862 1.00 0.00 C ATOM 550 OE1 GLU A 104 18.639 -39.017 -3.516 1.00 0.00 O ATOM 551 OE2 GLU A 104 18.771 -36.893 -3.829 1.00 0.00 O ATOM 0 H GLU A 104 15.888 -41.047 -6.679 1.00 0.00 H new ATOM 0 HA GLU A 104 16.772 -38.403 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.322 -39.391 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.774 -40.095 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.601 -37.113 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.038 -37.754 -3.560 1.00 0.00 H new ATOM 558 N GLU A 105 19.077 -40.589 -6.167 1.00 0.00 N ATOM 559 CA GLU A 105 20.516 -40.770 -6.032 1.00 0.00 C ATOM 560 C GLU A 105 21.225 -40.290 -7.297 1.00 0.00 C ATOM 561 O GLU A 105 22.282 -39.662 -7.223 1.00 0.00 O ATOM 562 CB GLU A 105 20.837 -42.249 -5.792 1.00 0.00 C ATOM 563 CG GLU A 105 22.339 -42.418 -5.530 1.00 0.00 C ATOM 564 CD GLU A 105 22.720 -41.706 -4.236 1.00 0.00 C ATOM 565 OE1 GLU A 105 21.838 -41.486 -3.423 1.00 0.00 O ATOM 566 OE2 GLU A 105 23.887 -41.383 -4.084 1.00 0.00 O ATOM 0 H GLU A 105 18.532 -41.451 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 105 20.866 -40.184 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.266 -42.621 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.541 -42.840 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 105 22.589 -43.477 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 105 22.911 -42.009 -6.363 1.00 0.00 H new ATOM 573 N GLU A 106 20.641 -40.578 -8.452 1.00 0.00 N ATOM 574 CA GLU A 106 21.233 -40.158 -9.717 1.00 0.00 C ATOM 575 C GLU A 106 21.297 -38.635 -9.794 1.00 0.00 C ATOM 576 O GLU A 106 22.294 -38.066 -10.239 1.00 0.00 O ATOM 577 CB GLU A 106 20.401 -40.690 -10.884 1.00 0.00 C ATOM 578 CG GLU A 106 20.567 -42.208 -10.978 1.00 0.00 C ATOM 579 CD GLU A 106 19.678 -42.763 -12.085 1.00 0.00 C ATOM 580 OE1 GLU A 106 18.891 -41.999 -12.624 1.00 0.00 O ATOM 581 OE2 GLU A 106 19.793 -43.941 -12.376 1.00 0.00 O ATOM 0 H GLU A 106 19.767 -41.095 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 106 22.244 -40.561 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 106 19.351 -40.436 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.719 -40.220 -11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.609 -42.456 -11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 106 20.307 -42.670 -10.026 1.00 0.00 H new ATOM 588 N GLU A 107 20.231 -37.982 -9.351 1.00 0.00 N ATOM 589 CA GLU A 107 20.180 -36.525 -9.369 1.00 0.00 C ATOM 590 C GLU A 107 21.248 -35.947 -8.447 1.00 0.00 C ATOM 591 O GLU A 107 21.907 -34.963 -8.779 1.00 0.00 O ATOM 592 CB GLU A 107 18.795 -36.045 -8.922 1.00 0.00 C ATOM 593 CG GLU A 107 18.693 -34.533 -9.117 1.00 0.00 C ATOM 594 CD GLU A 107 17.317 -34.039 -8.702 1.00 0.00 C ATOM 595 OE1 GLU A 107 16.807 -34.532 -7.711 1.00 0.00 O ATOM 596 OE2 GLU A 107 16.790 -33.178 -9.387 1.00 0.00 O ATOM 0 H GLU A 107 19.396 -38.433 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 107 20.368 -36.181 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.020 -36.550 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.630 -36.299 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 107 19.460 -34.031 -8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.878 -34.281 -10.161 1.00 0.00 H new ATOM 603 N GLU A 108 21.420 -36.569 -7.289 1.00 0.00 N ATOM 604 CA GLU A 108 22.413 -36.109 -6.322 1.00 0.00 C ATOM 605 C GLU A 108 23.816 -36.197 -6.913 1.00 0.00 C ATOM 606 O GLU A 108 24.636 -35.296 -6.732 1.00 0.00 O ATOM 607 CB GLU A 108 22.332 -36.956 -5.052 1.00 0.00 C ATOM 608 CG GLU A 108 23.333 -36.430 -4.021 1.00 0.00 C ATOM 609 CD GLU A 108 23.213 -37.222 -2.727 1.00 0.00 C ATOM 610 OE1 GLU A 108 22.327 -38.056 -2.647 1.00 0.00 O ATOM 611 OE2 GLU A 108 24.013 -36.987 -1.839 1.00 0.00 O ATOM 0 H GLU A 108 20.889 -37.389 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 108 22.203 -35.068 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.322 -36.922 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 108 22.547 -37.999 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 108 24.347 -36.510 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 108 23.148 -35.373 -3.829 1.00 0.00 H new ATOM 618 N LEU A 109 24.081 -37.279 -7.628 1.00 0.00 N ATOM 619 CA LEU A 109 25.383 -37.470 -8.255 1.00 0.00 C ATOM 620 C LEU A 109 25.645 -36.373 -9.275 1.00 0.00 C ATOM 621 O LEU A 109 26.781 -35.922 -9.432 1.00 0.00 O ATOM 622 CB LEU A 109 25.444 -38.838 -8.937 1.00 0.00 C ATOM 623 CG LEU A 109 25.500 -39.942 -7.868 1.00 0.00 C ATOM 624 CD1 LEU A 109 25.297 -41.306 -8.538 1.00 0.00 C ATOM 625 CD2 LEU A 109 26.865 -39.917 -7.146 1.00 0.00 C ATOM 0 H LEU A 109 23.417 -38.036 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 109 26.150 -37.423 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 109 24.571 -38.978 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 109 26.321 -38.896 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 109 24.712 -39.770 -7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 109 25.336 -42.091 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 109 24.326 -41.327 -9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 109 26.084 -41.471 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 109 26.892 -40.703 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 109 27.663 -40.081 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 109 27.005 -38.949 -6.666 1.00 0.00 H new ATOM 637 N LEU A 110 24.596 -35.959 -9.968 1.00 0.00 N ATOM 638 CA LEU A 110 24.743 -34.926 -10.978 1.00 0.00 C ATOM 639 C LEU A 110 25.238 -33.632 -10.339 1.00 0.00 C ATOM 640 O LEU A 110 26.157 -32.988 -10.850 1.00 0.00 O ATOM 641 CB LEU A 110 23.388 -34.672 -11.659 1.00 0.00 C ATOM 642 CG LEU A 110 23.528 -33.561 -12.713 1.00 0.00 C ATOM 643 CD1 LEU A 110 24.545 -33.985 -13.781 1.00 0.00 C ATOM 644 CD2 LEU A 110 22.168 -33.308 -13.363 1.00 0.00 C ATOM 0 H LEU A 110 23.648 -36.316 -9.852 1.00 0.00 H new ATOM 0 HA LEU A 110 25.469 -35.259 -11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 110 23.031 -35.588 -12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 110 22.645 -34.386 -10.914 1.00 0.00 H new ATOM 0 HG LEU A 110 23.877 -32.646 -12.234 1.00 0.00 H new ATOM 0 HD11 LEU A 110 24.641 -33.195 -14.526 1.00 0.00 H new ATOM 0 HD12 LEU A 110 25.513 -34.161 -13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 110 24.204 -34.900 -14.265 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.263 -32.521 -14.111 1.00 0.00 H new ATOM 0 HD22 LEU A 110 21.818 -34.223 -13.841 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.452 -33.000 -12.601 1.00 0.00 H new ATOM 656 N ARG A 111 24.645 -33.267 -9.216 1.00 0.00 N ATOM 657 CA ARG A 111 25.057 -32.050 -8.516 1.00 0.00 C ATOM 658 C ARG A 111 26.505 -32.168 -8.058 1.00 0.00 C ATOM 659 O ARG A 111 27.270 -31.204 -8.128 1.00 0.00 O ATOM 660 CB ARG A 111 24.138 -31.807 -7.306 1.00 0.00 C ATOM 661 CG ARG A 111 22.931 -30.958 -7.723 1.00 0.00 C ATOM 662 CD ARG A 111 22.114 -31.707 -8.770 1.00 0.00 C ATOM 663 NE ARG A 111 20.799 -31.101 -8.908 1.00 0.00 N ATOM 664 CZ ARG A 111 19.937 -31.530 -9.822 1.00 0.00 C ATOM 665 NH1 ARG A 111 20.267 -32.509 -10.618 1.00 0.00 N ATOM 666 NH2 ARG A 111 18.761 -30.976 -9.921 1.00 0.00 N ATOM 0 H ARG A 111 23.887 -33.783 -8.770 1.00 0.00 H new ATOM 0 HA ARG A 111 24.976 -31.205 -9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 111 23.799 -32.760 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 111 24.692 -31.302 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 111 22.312 -30.737 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 111 23.268 -30.003 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 111 22.633 -31.689 -9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 111 22.012 -32.753 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 111 20.534 -30.333 -8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 111 21.186 -32.944 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 111 19.606 -32.840 -11.321 1.00 0.00 H new ATOM 0 HH21 ARG A 111 18.503 -30.212 -9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 111 18.099 -31.306 -10.623 1.00 0.00 H new ATOM 680 N LYS A 112 26.872 -33.352 -7.591 1.00 0.00 N ATOM 681 CA LYS A 112 28.235 -33.588 -7.129 1.00 0.00 C ATOM 682 C LYS A 112 29.224 -33.404 -8.273 1.00 0.00 C ATOM 683 O LYS A 112 30.306 -32.850 -8.089 1.00 0.00 O ATOM 684 CB LYS A 112 28.361 -35.000 -6.556 1.00 0.00 C ATOM 685 CG LYS A 112 29.791 -35.231 -6.058 1.00 0.00 C ATOM 686 CD LYS A 112 29.898 -36.621 -5.435 1.00 0.00 C ATOM 687 CE LYS A 112 31.332 -36.857 -4.964 1.00 0.00 C ATOM 688 NZ LYS A 112 31.436 -38.210 -4.351 1.00 0.00 N ATOM 0 H LYS A 112 26.252 -34.159 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 112 28.464 -32.864 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 112 27.655 -35.135 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 112 28.108 -35.736 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 112 30.495 -35.137 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 112 30.059 -34.471 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 112 29.209 -36.709 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 112 29.613 -37.381 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 112 32.021 -36.773 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 112 31.618 -36.095 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 32.412 -38.372 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 30.789 -38.274 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 31.179 -38.931 -5.055 1.00 0.00 H new ATOM 702 N ALA A 113 28.848 -33.883 -9.454 1.00 0.00 N ATOM 703 CA ALA A 113 29.716 -33.777 -10.619 1.00 0.00 C ATOM 704 C ALA A 113 30.021 -32.315 -10.915 1.00 0.00 C ATOM 705 O ALA A 113 31.151 -31.963 -11.253 1.00 0.00 O ATOM 706 CB ALA A 113 29.039 -34.418 -11.830 1.00 0.00 C ATOM 0 H ALA A 113 27.955 -34.345 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 113 30.650 -34.298 -10.411 1.00 0.00 H new ATOM 0 HB1 ALA A 113 29.693 -34.336 -12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 113 28.842 -35.470 -11.622 1.00 0.00 H new ATOM 0 HB3 ALA A 113 28.098 -33.906 -12.034 1.00 0.00 H new ATOM 712 N ILE A 114 29.010 -31.466 -10.780 1.00 0.00 N ATOM 713 CA ILE A 114 29.194 -30.037 -11.031 1.00 0.00 C ATOM 714 C ILE A 114 30.176 -29.442 -10.032 1.00 0.00 C ATOM 715 O ILE A 114 31.067 -28.678 -10.409 1.00 0.00 O ATOM 716 CB ILE A 114 27.851 -29.312 -10.922 1.00 0.00 C ATOM 717 CG1 ILE A 114 26.866 -29.901 -11.941 1.00 0.00 C ATOM 718 CG2 ILE A 114 28.042 -27.821 -11.213 1.00 0.00 C ATOM 719 CD1 ILE A 114 27.426 -29.788 -13.366 1.00 0.00 C ATOM 0 H ILE A 114 28.066 -31.734 -10.502 1.00 0.00 H new ATOM 0 HA ILE A 114 29.595 -29.911 -12.037 1.00 0.00 H new ATOM 0 HB ILE A 114 27.458 -29.439 -9.913 1.00 0.00 H new ATOM 0 HG12 ILE A 114 26.671 -30.947 -11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 114 25.912 -29.377 -11.877 1.00 0.00 H new ATOM 0 HG21 ILE A 114 27.083 -27.309 -11.134 1.00 0.00 H new ATOM 0 HG22 ILE A 114 28.740 -27.396 -10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 114 28.439 -27.695 -12.220 1.00 0.00 H new ATOM 0 HD11 ILE A 114 26.712 -30.211 -14.072 1.00 0.00 H new ATOM 0 HD12 ILE A 114 27.597 -28.739 -13.608 1.00 0.00 H new ATOM 0 HD13 ILE A 114 28.368 -30.333 -13.431 1.00 0.00 H new ATOM 731 N ALA A 115 30.010 -29.793 -8.767 1.00 0.00 N ATOM 732 CA ALA A 115 30.891 -29.287 -7.724 1.00 0.00 C ATOM 733 C ALA A 115 32.324 -29.762 -7.951 1.00 0.00 C ATOM 734 O ALA A 115 33.278 -29.006 -7.763 1.00 0.00 O ATOM 735 CB ALA A 115 30.407 -29.761 -6.356 1.00 0.00 C ATOM 0 H ALA A 115 29.278 -30.423 -8.438 1.00 0.00 H new ATOM 0 HA ALA A 115 30.872 -28.198 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 115 31.072 -29.378 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 115 29.396 -29.394 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 115 30.407 -30.851 -6.328 1.00 0.00 H new ATOM 741 N GLU A 116 32.466 -31.018 -8.357 1.00 0.00 N ATOM 742 CA GLU A 116 33.787 -31.583 -8.608 1.00 0.00 C ATOM 743 C GLU A 116 34.483 -30.839 -9.741 1.00 0.00 C ATOM 744 O GLU A 116 35.685 -30.587 -9.684 1.00 0.00 O ATOM 745 CB GLU A 116 33.662 -33.064 -8.969 1.00 0.00 C ATOM 746 CG GLU A 116 33.267 -33.863 -7.727 1.00 0.00 C ATOM 747 CD GLU A 116 34.452 -33.951 -6.770 1.00 0.00 C ATOM 748 OE1 GLU A 116 35.552 -33.637 -7.192 1.00 0.00 O ATOM 749 OE2 GLU A 116 34.241 -34.334 -5.631 1.00 0.00 O ATOM 0 H GLU A 116 31.690 -31.660 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 116 34.383 -31.479 -7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 116 32.915 -33.196 -9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 116 34.608 -33.433 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 116 32.422 -33.386 -7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 116 32.945 -34.864 -8.015 1.00 0.00 H new ATOM 756 N SER A 117 33.721 -30.482 -10.768 1.00 0.00 N ATOM 757 CA SER A 117 34.284 -29.764 -11.903 1.00 0.00 C ATOM 758 C SER A 117 34.818 -28.401 -11.469 1.00 0.00 C ATOM 759 O SER A 117 35.893 -27.973 -11.902 1.00 0.00 O ATOM 760 CB SER A 117 33.209 -29.571 -12.975 1.00 0.00 C ATOM 761 OG SER A 117 33.761 -28.852 -14.065 1.00 0.00 O ATOM 0 H SER A 117 32.722 -30.676 -10.838 1.00 0.00 H new ATOM 0 HA SER A 117 35.109 -30.350 -12.308 1.00 0.00 H new ATOM 0 HB2 SER A 117 32.838 -30.538 -13.313 1.00 0.00 H new ATOM 0 HB3 SER A 117 32.358 -29.030 -12.561 1.00 0.00 H new ATOM 0 HG SER A 117 33.061 -28.672 -14.726 1.00 0.00 H new ATOM 767 N LEU A 118 34.069 -27.727 -10.605 1.00 0.00 N ATOM 768 CA LEU A 118 34.478 -26.413 -10.122 1.00 0.00 C ATOM 769 C LEU A 118 35.716 -26.526 -9.247 1.00 0.00 C ATOM 770 O LEU A 118 36.578 -25.647 -9.262 1.00 0.00 O ATOM 771 CB LEU A 118 33.337 -25.784 -9.318 1.00 0.00 C ATOM 772 CG LEU A 118 32.152 -25.495 -10.249 1.00 0.00 C ATOM 773 CD1 LEU A 118 30.934 -25.092 -9.410 1.00 0.00 C ATOM 774 CD2 LEU A 118 32.502 -24.360 -11.230 1.00 0.00 C ATOM 0 H LEU A 118 33.184 -28.064 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 118 34.714 -25.784 -10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 118 33.028 -26.456 -8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 118 33.676 -24.862 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 118 31.925 -26.394 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 118 30.090 -24.886 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 118 30.675 -25.905 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 118 31.170 -24.198 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 118 31.651 -24.168 -11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 118 32.741 -23.456 -10.670 1.00 0.00 H new ATOM 0 HD23 LEU A 118 33.362 -24.652 -11.832 1.00 0.00 H new ATOM 786 N ASN A 119 35.802 -27.613 -8.490 1.00 0.00 N ATOM 787 CA ASN A 119 36.948 -27.833 -7.616 1.00 0.00 C ATOM 788 C ASN A 119 38.107 -28.441 -8.399 1.00 0.00 C ATOM 789 O ASN A 119 39.269 -28.287 -8.023 1.00 0.00 O ATOM 790 CB ASN A 119 36.557 -28.771 -6.473 1.00 0.00 C ATOM 791 CG ASN A 119 35.481 -28.119 -5.611 1.00 0.00 C ATOM 792 OD1 ASN A 119 34.323 -28.536 -5.643 1.00 0.00 O ATOM 793 ND2 ASN A 119 35.796 -27.119 -4.835 1.00 0.00 N ATOM 0 H ASN A 119 35.098 -28.351 -8.463 1.00 0.00 H new ATOM 0 HA ASN A 119 37.262 -26.872 -7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 119 36.190 -29.715 -6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 119 37.432 -29.002 -5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 119 35.082 -26.681 -4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 119 36.756 -26.775 -4.810 1.00 0.00 H new ATOM 800 N SER A 120 37.785 -29.133 -9.491 1.00 0.00 N ATOM 801 CA SER A 120 38.815 -29.756 -10.312 1.00 0.00 C ATOM 802 C SER A 120 39.488 -28.723 -11.202 1.00 0.00 C ATOM 803 O SER A 120 40.597 -28.947 -11.687 1.00 0.00 O ATOM 804 CB SER A 120 38.189 -30.845 -11.185 1.00 0.00 C ATOM 805 OG SER A 120 37.711 -31.894 -10.355 1.00 0.00 O ATOM 0 H SER A 120 36.831 -29.274 -9.823 1.00 0.00 H new ATOM 0 HA SER A 120 39.564 -30.195 -9.653 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.371 -30.430 -11.774 1.00 0.00 H new ATOM 0 HB3 SER A 120 38.926 -31.230 -11.890 1.00 0.00 H new ATOM 0 HG SER A 120 36.822 -31.662 -10.014 1.00 0.00 H new ATOM 811 N CYS A 121 38.818 -27.590 -11.400 1.00 0.00 N ATOM 812 CA CYS A 121 39.368 -26.518 -12.228 1.00 0.00 C ATOM 813 C CYS A 121 39.710 -27.033 -13.626 1.00 0.00 C ATOM 814 O CYS A 121 40.444 -28.006 -13.779 1.00 0.00 O ATOM 815 CB CYS A 121 40.624 -25.944 -11.571 1.00 0.00 C ATOM 816 SG CYS A 121 40.209 -25.298 -9.931 1.00 0.00 S ATOM 0 H CYS A 121 37.900 -27.391 -11.002 1.00 0.00 H new ATOM 0 HA CYS A 121 38.615 -25.735 -12.320 1.00 0.00 H new ATOM 0 HB2 CYS A 121 41.388 -26.717 -11.486 1.00 0.00 H new ATOM 0 HB3 CYS A 121 41.041 -25.150 -12.191 1.00 0.00 H new ATOM 0 HG CYS A 121 39.833 -26.276 -9.162 1.00 0.00 H new ATOM 822 N ARG A 122 39.179 -26.373 -14.645 1.00 0.00 N ATOM 823 CA ARG A 122 39.440 -26.773 -16.029 1.00 0.00 C ATOM 824 C ARG A 122 39.672 -25.546 -16.903 1.00 0.00 C ATOM 825 O ARG A 122 38.977 -25.341 -17.897 1.00 0.00 O ATOM 826 CB ARG A 122 38.259 -27.579 -16.564 1.00 0.00 C ATOM 827 CG ARG A 122 36.956 -26.832 -16.277 1.00 0.00 C ATOM 828 CD ARG A 122 35.772 -27.668 -16.759 1.00 0.00 C ATOM 829 NE ARG A 122 35.644 -28.875 -15.949 1.00 0.00 N ATOM 830 CZ ARG A 122 34.751 -29.813 -16.250 1.00 0.00 C ATOM 831 NH1 ARG A 122 33.968 -29.660 -17.282 1.00 0.00 N ATOM 832 NH2 ARG A 122 34.649 -30.878 -15.504 1.00 0.00 N ATOM 0 H ARG A 122 38.568 -25.562 -14.546 1.00 0.00 H new ATOM 0 HA ARG A 122 40.338 -27.391 -16.053 1.00 0.00 H new ATOM 0 HB2 ARG A 122 38.370 -27.738 -17.637 1.00 0.00 H new ATOM 0 HB3 ARG A 122 38.236 -28.563 -16.097 1.00 0.00 H new ATOM 0 HG2 ARG A 122 36.865 -26.635 -15.209 1.00 0.00 H new ATOM 0 HG3 ARG A 122 36.961 -25.865 -16.780 1.00 0.00 H new ATOM 0 HD2 ARG A 122 34.855 -27.082 -16.698 1.00 0.00 H new ATOM 0 HD3 ARG A 122 35.910 -27.937 -17.806 1.00 0.00 H new ATOM 0 HE ARG A 122 36.250 -29.001 -15.138 1.00 0.00 H new ATOM 0 HH11 ARG A 122 34.041 -28.821 -17.858 1.00 0.00 H new ATOM 0 HH12 ARG A 122 33.283 -30.379 -17.513 1.00 0.00 H new ATOM 0 HH21 ARG A 122 35.254 -30.991 -14.691 1.00 0.00 H new ATOM 0 HH22 ARG A 122 33.964 -31.598 -15.734 1.00 0.00 H new ATOM 846 N PRO A 123 40.633 -24.734 -16.548 1.00 0.00 N ATOM 847 CA PRO A 123 40.974 -23.496 -17.312 1.00 0.00 C ATOM 848 C PRO A 123 41.582 -23.811 -18.677 1.00 0.00 C ATOM 849 O PRO A 123 42.187 -24.868 -18.871 1.00 0.00 O ATOM 850 CB PRO A 123 41.981 -22.774 -16.401 1.00 0.00 C ATOM 851 CG PRO A 123 42.597 -23.858 -15.577 1.00 0.00 C ATOM 852 CD PRO A 123 41.507 -24.906 -15.372 1.00 0.00 C ATOM 0 HA PRO A 123 40.094 -22.893 -17.536 1.00 0.00 H new ATOM 0 HB2 PRO A 123 42.734 -22.245 -16.985 1.00 0.00 H new ATOM 0 HB3 PRO A 123 41.486 -22.033 -15.773 1.00 0.00 H new ATOM 0 HG2 PRO A 123 43.461 -24.289 -16.083 1.00 0.00 H new ATOM 0 HG3 PRO A 123 42.948 -23.469 -14.621 1.00 0.00 H new ATOM 0 HD2 PRO A 123 41.923 -25.913 -15.325 1.00 0.00 H new ATOM 0 HD3 PRO A 123 40.964 -24.742 -14.441 1.00 0.00 H new ATOM 860 N SER A 124 41.420 -22.887 -19.614 1.00 0.00 N ATOM 861 CA SER A 124 41.962 -23.070 -20.956 1.00 0.00 C ATOM 862 C SER A 124 43.488 -23.067 -20.927 1.00 0.00 C ATOM 863 O SER A 124 44.102 -22.626 -19.953 1.00 0.00 O ATOM 864 CB SER A 124 41.467 -21.958 -21.881 1.00 0.00 C ATOM 865 OG SER A 124 40.051 -22.020 -21.972 1.00 0.00 O ATOM 0 H SER A 124 40.921 -22.008 -19.473 1.00 0.00 H new ATOM 0 HA SER A 124 41.619 -24.034 -21.332 1.00 0.00 H new ATOM 0 HB2 SER A 124 41.776 -20.986 -21.498 1.00 0.00 H new ATOM 0 HB3 SER A 124 41.912 -22.067 -22.870 1.00 0.00 H new ATOM 0 HG SER A 124 39.730 -21.307 -22.563 1.00 0.00 H new ATOM 871 N ASP A 125 44.093 -23.571 -21.997 1.00 0.00 N ATOM 872 CA ASP A 125 45.547 -23.630 -22.087 1.00 0.00 C ATOM 873 C ASP A 125 46.146 -22.235 -21.946 1.00 0.00 C ATOM 874 O ASP A 125 45.473 -21.234 -22.193 1.00 0.00 O ATOM 875 CB ASP A 125 45.963 -24.229 -23.432 1.00 0.00 C ATOM 876 CG ASP A 125 45.638 -25.718 -23.464 1.00 0.00 C ATOM 877 OD1 ASP A 125 45.380 -26.271 -22.407 1.00 0.00 O ATOM 878 OD2 ASP A 125 45.648 -26.283 -24.545 1.00 0.00 O ATOM 0 H ASP A 125 43.602 -23.943 -22.810 1.00 0.00 H new ATOM 0 HA ASP A 125 45.918 -24.259 -21.278 1.00 0.00 H new ATOM 0 HB2 ASP A 125 45.444 -23.718 -24.243 1.00 0.00 H new ATOM 0 HB3 ASP A 125 47.031 -24.078 -23.592 1.00 0.00 H new ATOM 883 N ALA A 126 47.408 -22.174 -21.539 1.00 0.00 N ATOM 884 CA ALA A 126 48.079 -20.892 -21.361 1.00 0.00 C ATOM 885 C ALA A 126 48.097 -20.113 -22.672 1.00 0.00 C ATOM 886 O ALA A 126 48.167 -18.885 -22.674 1.00 0.00 O ATOM 887 CB ALA A 126 49.515 -21.115 -20.879 1.00 0.00 C ATOM 0 H ALA A 126 47.983 -22.989 -21.328 1.00 0.00 H new ATOM 0 HA ALA A 126 47.531 -20.317 -20.615 1.00 0.00 H new ATOM 0 HB1 ALA A 126 50.009 -20.152 -20.749 1.00 0.00 H new ATOM 0 HB2 ALA A 126 49.501 -21.647 -19.928 1.00 0.00 H new ATOM 0 HB3 ALA A 126 50.059 -21.705 -21.617 1.00 0.00 H new ATOM 893 N SER A 127 48.032 -20.836 -23.784 1.00 0.00 N ATOM 894 CA SER A 127 48.043 -20.205 -25.098 1.00 0.00 C ATOM 895 C SER A 127 46.710 -19.522 -25.377 1.00 0.00 C ATOM 896 O SER A 127 46.595 -18.742 -26.320 1.00 0.00 O ATOM 897 CB SER A 127 48.317 -21.245 -26.182 1.00 0.00 C ATOM 898 OG SER A 127 48.410 -20.596 -27.444 1.00 0.00 O ATOM 0 H SER A 127 47.971 -21.854 -23.802 1.00 0.00 H new ATOM 0 HA SER A 127 48.834 -19.456 -25.107 1.00 0.00 H new ATOM 0 HB2 SER A 127 49.243 -21.778 -25.965 1.00 0.00 H new ATOM 0 HB3 SER A 127 47.519 -21.987 -26.200 1.00 0.00 H new ATOM 0 HG SER A 127 47.958 -19.727 -27.399 1.00 0.00 H new ATOM 904 N ALA A 128 45.706 -19.822 -24.554 1.00 0.00 N ATOM 905 CA ALA A 128 44.382 -19.230 -24.719 1.00 0.00 C ATOM 906 C ALA A 128 43.606 -19.956 -25.812 1.00 0.00 C ATOM 907 O ALA A 128 42.527 -19.519 -26.214 1.00 0.00 O ATOM 908 CB ALA A 128 44.512 -17.736 -25.075 1.00 0.00 C ATOM 0 H ALA A 128 45.785 -20.469 -23.770 1.00 0.00 H new ATOM 0 HA ALA A 128 43.839 -19.328 -23.779 1.00 0.00 H new ATOM 0 HB1 ALA A 128 43.519 -17.303 -25.196 1.00 0.00 H new ATOM 0 HB2 ALA A 128 45.040 -17.216 -24.275 1.00 0.00 H new ATOM 0 HB3 ALA A 128 45.070 -17.631 -26.006 1.00 0.00 H new ATOM 914 N THR A 129 44.164 -21.061 -26.294 1.00 0.00 N ATOM 915 CA THR A 129 43.513 -21.835 -27.346 1.00 0.00 C ATOM 916 C THR A 129 42.452 -22.750 -26.750 1.00 0.00 C ATOM 917 O THR A 129 42.492 -23.066 -25.563 1.00 0.00 O ATOM 918 CB THR A 129 44.551 -22.672 -28.095 1.00 0.00 C ATOM 919 OG1 THR A 129 45.115 -23.629 -27.209 1.00 0.00 O ATOM 920 CG2 THR A 129 45.655 -21.760 -28.634 1.00 0.00 C ATOM 0 H THR A 129 45.057 -21.439 -25.977 1.00 0.00 H new ATOM 0 HA THR A 129 43.035 -21.145 -28.041 1.00 0.00 H new ATOM 0 HB THR A 129 44.070 -23.186 -28.927 1.00 0.00 H new ATOM 0 HG1 THR A 129 45.779 -24.167 -27.688 1.00 0.00 H new ATOM 0 HG21 THR A 129 46.393 -22.359 -29.167 1.00 0.00 H new ATOM 0 HG22 THR A 129 45.222 -21.027 -29.315 1.00 0.00 H new ATOM 0 HG23 THR A 129 46.138 -21.243 -27.804 1.00 0.00 H new ATOM 928 N ARG A 130 41.507 -23.173 -27.581 1.00 0.00 N ATOM 929 CA ARG A 130 40.433 -24.057 -27.129 1.00 0.00 C ATOM 930 C ARG A 130 40.711 -25.495 -27.556 1.00 0.00 C ATOM 931 O ARG A 130 41.188 -25.744 -28.664 1.00 0.00 O ATOM 932 CB ARG A 130 39.096 -23.593 -27.713 1.00 0.00 C ATOM 933 CG ARG A 130 39.054 -23.888 -29.215 1.00 0.00 C ATOM 934 CD ARG A 130 37.850 -23.189 -29.841 1.00 0.00 C ATOM 935 NE ARG A 130 36.618 -23.659 -29.214 1.00 0.00 N ATOM 936 CZ ARG A 130 36.012 -24.768 -29.627 1.00 0.00 C ATOM 937 NH1 ARG A 130 36.521 -25.462 -30.607 1.00 0.00 N ATOM 938 NH2 ARG A 130 34.911 -25.164 -29.049 1.00 0.00 N ATOM 0 H ARG A 130 41.460 -22.921 -28.568 1.00 0.00 H new ATOM 0 HA ARG A 130 40.385 -24.018 -26.041 1.00 0.00 H new ATOM 0 HB2 ARG A 130 38.273 -24.102 -27.210 1.00 0.00 H new ATOM 0 HB3 ARG A 130 38.964 -22.525 -27.539 1.00 0.00 H new ATOM 0 HG2 ARG A 130 39.974 -23.545 -29.689 1.00 0.00 H new ATOM 0 HG3 ARG A 130 38.991 -24.963 -29.383 1.00 0.00 H new ATOM 0 HD2 ARG A 130 37.941 -22.110 -29.718 1.00 0.00 H new ATOM 0 HD3 ARG A 130 37.821 -23.387 -30.913 1.00 0.00 H new ATOM 0 HE ARG A 130 36.214 -23.126 -28.444 1.00 0.00 H new ATOM 0 HH11 ARG A 130 37.383 -25.154 -31.056 1.00 0.00 H new ATOM 0 HH12 ARG A 130 36.057 -26.313 -30.924 1.00 0.00 H new ATOM 0 HH21 ARG A 130 34.515 -24.623 -28.280 1.00 0.00 H new ATOM 0 HH22 ARG A 130 34.446 -26.015 -29.366 1.00 0.00 H new ATOM 952 N SER A 131 40.405 -26.439 -26.676 1.00 0.00 N ATOM 953 CA SER A 131 40.619 -27.850 -26.976 1.00 0.00 C ATOM 954 C SER A 131 39.492 -28.389 -27.854 1.00 0.00 C ATOM 955 O SER A 131 39.561 -29.548 -28.227 1.00 0.00 O ATOM 956 CB SER A 131 40.684 -28.654 -25.679 1.00 0.00 C ATOM 957 OG SER A 131 39.407 -28.644 -25.054 1.00 0.00 O ATOM 958 OXT SER A 131 38.576 -27.633 -28.143 1.00 0.00 O ATOM 0 H SER A 131 40.010 -26.256 -25.754 1.00 0.00 H new ATOM 0 HA SER A 131 41.562 -27.949 -27.513 1.00 0.00 H new ATOM 0 HB2 SER A 131 40.991 -29.679 -25.888 1.00 0.00 H new ATOM 0 HB3 SER A 131 41.432 -28.227 -25.011 1.00 0.00 H new ATOM 0 HG SER A 131 39.446 -29.161 -24.222 1.00 0.00 H new TER 964 SER A 131