diff --git "a/1mxl/1mxl_protein_processed_fix.pdb" "b/1mxl/1mxl_protein_processed_fix.pdb" new file mode 100644--- /dev/null +++ "b/1mxl/1mxl_protein_processed_fix.pdb" @@ -0,0 +1,1367 @@ +REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20 +ATOM 1 N MET A 1 57.188 -13.865 22.130 1.00 0.00 N +ATOM 2 CA MET A 1 56.645 -13.039 21.013 1.00 0.00 C +ATOM 3 C MET A 1 56.628 -13.851 19.716 1.00 0.00 C +ATOM 4 O MET A 1 56.959 -15.021 19.700 1.00 0.00 O +ATOM 5 CB MET A 1 57.606 -11.854 20.895 1.00 0.00 C +ATOM 6 CG MET A 1 59.020 -12.370 20.616 1.00 0.00 C +ATOM 7 SD MET A 1 59.982 -12.349 22.149 1.00 0.00 S +ATOM 8 CE MET A 1 61.500 -11.654 21.455 1.00 0.00 C +ATOM 9 H MET A 1 57.491 -13.331 22.774 1.00 0.00 H +ATOM 10 H2 MET A 1 56.543 -14.385 22.456 1.00 0.00 H +ATOM 11 H3 MET A 1 57.854 -14.373 21.828 1.00 0.00 H +ATOM 12 HA MET A 1 55.733 -12.751 21.176 1.00 0.00 H +ATOM 13 HB2 MET A 1 57.320 -11.263 20.181 1.00 0.00 H +ATOM 14 HB3 MET A 1 57.596 -11.334 21.714 1.00 0.00 H +ATOM 15 HG2 MET A 1 58.982 -13.271 20.259 1.00 0.00 H +ATOM 16 HG3 MET A 1 59.450 -11.817 19.945 1.00 0.00 H +ATOM 17 HE1 MET A 1 62.165 -11.563 22.156 1.00 0.00 H +ATOM 18 HE2 MET A 1 61.839 -12.243 20.763 1.00 0.00 H +ATOM 19 HE3 MET A 1 61.312 -10.782 21.073 1.00 0.00 H +ATOM 20 N ASP A 2 56.247 -13.241 18.627 1.00 0.00 N +ATOM 21 CA ASP A 2 56.209 -13.980 17.332 1.00 0.00 C +ATOM 22 C ASP A 2 56.642 -13.061 16.188 1.00 0.00 C +ATOM 23 O ASP A 2 57.287 -12.054 16.399 1.00 0.00 O +ATOM 24 CB ASP A 2 54.747 -14.399 17.159 1.00 0.00 C +ATOM 25 CG ASP A 2 53.853 -13.157 17.200 1.00 0.00 C +ATOM 26 OD1 ASP A 2 54.225 -12.163 16.599 1.00 0.00 O +ATOM 27 OD2 ASP A 2 52.812 -13.223 17.832 1.00 0.00 O +ATOM 28 H ASP A 2 56.005 -12.417 18.585 1.00 0.00 H +ATOM 29 HA ASP A 2 56.809 -14.742 17.325 1.00 0.00 H +ATOM 30 HB2 ASP A 2 54.631 -14.865 16.316 1.00 0.00 H +ATOM 31 HB3 ASP A 2 54.492 -15.017 17.862 1.00 0.00 H +ATOM 32 N ASP A 3 56.289 -13.397 14.977 1.00 0.00 N +ATOM 33 CA ASP A 3 56.680 -12.540 13.822 1.00 0.00 C +ATOM 34 C ASP A 3 55.439 -12.123 13.029 1.00 0.00 C +ATOM 35 O ASP A 3 55.101 -12.722 12.027 1.00 0.00 O +ATOM 36 CB ASP A 3 57.593 -13.418 12.966 1.00 0.00 C +ATOM 37 CG ASP A 3 59.054 -13.129 13.316 1.00 0.00 C +ATOM 38 OD1 ASP A 3 59.389 -11.965 13.461 1.00 0.00 O +ATOM 39 OD2 ASP A 3 59.813 -14.077 13.432 1.00 0.00 O +ATOM 40 H ASP A 3 55.832 -14.097 14.775 1.00 0.00 H +ATOM 41 HA ASP A 3 57.123 -11.724 14.104 1.00 0.00 H +ATOM 42 HB2 ASP A 3 57.393 -14.355 13.119 1.00 0.00 H +ATOM 43 HB3 ASP A 3 57.435 -13.244 12.025 1.00 0.00 H +ATOM 44 N ILE A 4 54.756 -11.102 13.470 1.00 0.00 N +ATOM 45 CA ILE A 4 53.537 -10.648 12.742 1.00 0.00 C +ATOM 46 C ILE A 4 53.924 -10.022 11.398 1.00 0.00 C +ATOM 47 O ILE A 4 53.107 -9.881 10.509 1.00 0.00 O +ATOM 48 CB ILE A 4 52.896 -9.603 13.655 1.00 0.00 C +ATOM 49 CG1 ILE A 4 52.812 -10.155 15.081 1.00 0.00 C +ATOM 50 CG2 ILE A 4 51.489 -9.280 13.151 1.00 0.00 C +ATOM 51 CD1 ILE A 4 53.763 -9.374 15.989 1.00 0.00 C +ATOM 52 H ILE A 4 54.953 -10.647 14.173 1.00 0.00 H +ATOM 53 HA ILE A 4 52.932 -11.381 12.548 1.00 0.00 H +ATOM 54 HB ILE A 4 53.434 -8.796 13.651 1.00 0.00 H +ATOM 55 HG12 ILE A 4 51.903 -10.085 15.412 1.00 0.00 H +ATOM 56 HG13 ILE A 4 53.044 -11.097 15.087 1.00 0.00 H +ATOM 57 HG21 ILE A 4 51.082 -8.617 13.730 1.00 0.00 H +ATOM 58 HG22 ILE A 4 51.541 -8.931 12.247 1.00 0.00 H +ATOM 59 HG23 ILE A 4 50.950 -10.087 13.155 1.00 0.00 H +ATOM 60 HD11 ILE A 4 53.709 -9.724 16.892 1.00 0.00 H +ATOM 61 HD12 ILE A 4 54.671 -9.465 15.661 1.00 0.00 H +ATOM 62 HD13 ILE A 4 53.512 -8.437 15.991 1.00 0.00 H +ATOM 63 N TYR A 5 55.164 -9.647 11.243 1.00 0.00 N +ATOM 64 CA TYR A 5 55.602 -9.031 9.957 1.00 0.00 C +ATOM 65 C TYR A 5 56.205 -10.098 9.040 1.00 0.00 C +ATOM 66 O TYR A 5 55.824 -10.233 7.893 1.00 0.00 O +ATOM 67 CB TYR A 5 56.661 -8.001 10.350 1.00 0.00 C +ATOM 68 CG TYR A 5 56.072 -7.024 11.340 1.00 0.00 C +ATOM 69 CD1 TYR A 5 55.212 -6.010 10.897 1.00 0.00 C +ATOM 70 CD2 TYR A 5 56.386 -7.132 12.700 1.00 0.00 C +ATOM 71 CE1 TYR A 5 54.668 -5.106 11.816 1.00 0.00 C +ATOM 72 CE2 TYR A 5 55.840 -6.227 13.618 1.00 0.00 C +ATOM 73 CZ TYR A 5 54.981 -5.213 13.176 1.00 0.00 C +ATOM 74 OH TYR A 5 54.443 -4.321 14.082 1.00 0.00 O +ATOM 75 H TYR A 5 55.779 -9.725 11.839 1.00 0.00 H +ATOM 76 HA TYR A 5 54.865 -8.626 9.474 1.00 0.00 H +ATOM 77 HB2 TYR A 5 57.430 -8.446 10.739 1.00 0.00 H +ATOM 78 HB3 TYR A 5 56.975 -7.529 9.563 1.00 0.00 H +ATOM 79 HD1 TYR A 5 55.003 -5.938 9.994 1.00 0.00 H +ATOM 80 HD2 TYR A 5 56.957 -7.805 12.994 1.00 0.00 H +ATOM 81 HE1 TYR A 5 54.097 -4.433 11.523 1.00 0.00 H +ATOM 82 HE2 TYR A 5 56.048 -6.299 14.522 1.00 0.00 H +ATOM 83 HH TYR A 5 53.951 -3.773 13.678 1.00 0.00 H +ATOM 84 N LYS A 6 57.141 -10.861 9.536 1.00 0.00 N +ATOM 85 CA LYS A 6 57.763 -11.920 8.692 1.00 0.00 C +ATOM 86 C LYS A 6 56.701 -12.931 8.251 1.00 0.00 C +ATOM 87 O LYS A 6 56.838 -13.591 7.241 1.00 0.00 O +ATOM 88 CB LYS A 6 58.799 -12.589 9.597 1.00 0.00 C +ATOM 89 CG LYS A 6 60.193 -12.063 9.253 1.00 0.00 C +ATOM 90 CD LYS A 6 60.855 -11.507 10.516 1.00 0.00 C +ATOM 91 CE LYS A 6 60.242 -10.146 10.856 1.00 0.00 C +ATOM 92 NZ LYS A 6 61.401 -9.215 10.946 1.00 0.00 N +ATOM 93 H LYS A 6 57.445 -10.807 10.339 1.00 0.00 H +ATOM 94 HA LYS A 6 58.165 -11.561 7.885 1.00 0.00 H +ATOM 95 HB2 LYS A 6 58.595 -12.407 10.528 1.00 0.00 H +ATOM 96 HB3 LYS A 6 58.769 -13.552 9.483 1.00 0.00 H +ATOM 97 HG2 LYS A 6 60.735 -12.775 8.879 1.00 0.00 H +ATOM 98 HG3 LYS A 6 60.130 -11.370 8.577 1.00 0.00 H +ATOM 99 HD2 LYS A 6 60.731 -12.122 11.256 1.00 0.00 H +ATOM 100 HD3 LYS A 6 61.811 -11.417 10.379 1.00 0.00 H +ATOM 101 HE2 LYS A 6 59.615 -9.862 10.172 1.00 0.00 H +ATOM 102 HE3 LYS A 6 59.753 -10.180 11.693 1.00 0.00 H +ATOM 103 HZ1 LYS A 6 61.129 -8.432 11.269 1.00 0.00 H +ATOM 104 HZ2 LYS A 6 62.018 -9.560 11.487 1.00 0.00 H +ATOM 105 HZ3 LYS A 6 61.750 -9.096 10.136 1.00 0.00 H +ATOM 106 N ALA A 7 55.641 -13.055 9.004 1.00 0.00 N +ATOM 107 CA ALA A 7 54.569 -14.019 8.630 1.00 0.00 C +ATOM 108 C ALA A 7 53.702 -13.435 7.510 1.00 0.00 C +ATOM 109 O ALA A 7 53.379 -14.103 6.550 1.00 0.00 O +ATOM 110 CB ALA A 7 53.748 -14.212 9.904 1.00 0.00 C +ATOM 111 H ALA A 7 55.499 -12.612 9.727 1.00 0.00 H +ATOM 112 HA ALA A 7 54.926 -14.859 8.301 1.00 0.00 H +ATOM 113 HB1 ALA A 7 53.024 -14.835 9.732 1.00 0.00 H +ATOM 114 HB2 ALA A 7 54.317 -14.565 10.606 1.00 0.00 H +ATOM 115 HB3 ALA A 7 53.380 -13.359 10.185 1.00 0.00 H +ATOM 116 N ALA A 8 53.326 -12.190 7.626 1.00 0.00 N +ATOM 117 CA ALA A 8 52.484 -11.566 6.565 1.00 0.00 C +ATOM 118 C ALA A 8 53.222 -11.603 5.224 1.00 0.00 C +ATOM 119 O ALA A 8 52.670 -11.983 4.210 1.00 0.00 O +ATOM 120 CB ALA A 8 52.271 -10.123 7.023 1.00 0.00 C +ATOM 121 H ALA A 8 53.527 -11.675 8.285 1.00 0.00 H +ATOM 122 HA ALA A 8 51.642 -12.031 6.440 1.00 0.00 H +ATOM 123 HB1 ALA A 8 51.726 -9.654 6.372 1.00 0.00 H +ATOM 124 HB2 ALA A 8 51.823 -10.119 7.883 1.00 0.00 H +ATOM 125 HB3 ALA A 8 53.130 -9.679 7.105 1.00 0.00 H +ATOM 126 N VAL A 9 54.468 -11.215 5.211 1.00 0.00 N +ATOM 127 CA VAL A 9 55.240 -11.232 3.937 1.00 0.00 C +ATOM 128 C VAL A 9 55.054 -12.575 3.228 1.00 0.00 C +ATOM 129 O VAL A 9 54.620 -12.637 2.095 1.00 0.00 O +ATOM 130 CB VAL A 9 56.699 -11.047 4.354 1.00 0.00 C +ATOM 131 CG1 VAL A 9 57.567 -10.859 3.109 1.00 0.00 C +ATOM 132 CG2 VAL A 9 56.818 -9.811 5.250 1.00 0.00 C +ATOM 133 H VAL A 9 54.903 -10.939 5.899 1.00 0.00 H +ATOM 134 HA VAL A 9 54.948 -10.541 3.321 1.00 0.00 H +ATOM 135 HB VAL A 9 56.999 -11.831 4.840 1.00 0.00 H +ATOM 136 HG11 VAL A 9 58.493 -10.742 3.374 1.00 0.00 H +ATOM 137 HG12 VAL A 9 57.491 -11.641 2.540 1.00 0.00 H +ATOM 138 HG13 VAL A 9 57.269 -10.075 2.622 1.00 0.00 H +ATOM 139 HG21 VAL A 9 57.743 -9.692 5.516 1.00 0.00 H +ATOM 140 HG22 VAL A 9 56.518 -9.028 4.763 1.00 0.00 H +ATOM 141 HG23 VAL A 9 56.268 -9.930 6.040 1.00 0.00 H +ATOM 142 N GLU A 10 55.377 -13.653 3.889 1.00 0.00 N +ATOM 143 CA GLU A 10 55.219 -14.994 3.257 1.00 0.00 C +ATOM 144 C GLU A 10 53.752 -15.235 2.893 1.00 0.00 C +ATOM 145 O GLU A 10 53.442 -15.976 1.980 1.00 0.00 O +ATOM 146 CB GLU A 10 55.681 -15.990 4.320 1.00 0.00 C +ATOM 147 CG GLU A 10 56.390 -17.165 3.645 1.00 0.00 C +ATOM 148 CD GLU A 10 56.890 -18.142 4.710 1.00 0.00 C +ATOM 149 OE1 GLU A 10 56.790 -17.813 5.880 1.00 0.00 O +ATOM 150 OE2 GLU A 10 57.363 -19.203 4.338 1.00 0.00 O +ATOM 151 H GLU A 10 55.686 -13.662 4.691 1.00 0.00 H +ATOM 152 HA GLU A 10 55.731 -15.078 2.437 1.00 0.00 H +ATOM 153 HB2 GLU A 10 56.280 -15.555 4.946 1.00 0.00 H +ATOM 154 HB3 GLU A 10 54.920 -16.309 4.831 1.00 0.00 H +ATOM 155 HG2 GLU A 10 55.782 -17.616 3.039 1.00 0.00 H +ATOM 156 HG3 GLU A 10 57.135 -16.843 3.113 1.00 0.00 H +ATOM 157 N GLN A 11 52.847 -14.617 3.600 1.00 0.00 N +ATOM 158 CA GLN A 11 51.401 -14.812 3.295 1.00 0.00 C +ATOM 159 C GLN A 11 50.907 -13.714 2.351 1.00 0.00 C +ATOM 160 O GLN A 11 49.793 -13.242 2.460 1.00 0.00 O +ATOM 161 CB GLN A 11 50.696 -14.709 4.646 1.00 0.00 C +ATOM 162 CG GLN A 11 50.840 -16.035 5.397 1.00 0.00 C +ATOM 163 CD GLN A 11 50.493 -15.827 6.873 1.00 0.00 C +ATOM 164 OE1 GLN A 11 49.334 -15.777 7.235 1.00 0.00 O +ATOM 165 NE2 GLN A 11 51.455 -15.706 7.746 1.00 0.00 N +ATOM 166 H GLN A 11 53.015 -14.084 4.254 1.00 0.00 H +ATOM 167 HA GLN A 11 51.229 -15.661 2.858 1.00 0.00 H +ATOM 168 HB2 GLN A 11 51.079 -13.987 5.168 1.00 0.00 H +ATOM 169 HB3 GLN A 11 49.758 -14.499 4.517 1.00 0.00 H +ATOM 170 HG2 GLN A 11 50.254 -16.703 5.008 1.00 0.00 H +ATOM 171 HG3 GLN A 11 51.747 -16.369 5.312 1.00 0.00 H +ATOM 172 HE21 GLN A 11 52.275 -15.741 7.490 1.00 0.00 H +ATOM 173 HE22 GLN A 11 51.269 -15.591 8.578 1.00 0.00 H +ATOM 174 N LEU A 12 51.728 -13.302 1.424 1.00 0.00 N +ATOM 175 CA LEU A 12 51.301 -12.235 0.476 1.00 0.00 C +ATOM 176 C LEU A 12 50.905 -12.852 -0.868 1.00 0.00 C +ATOM 177 O LEU A 12 51.552 -13.757 -1.361 1.00 0.00 O +ATOM 178 CB LEU A 12 52.527 -11.334 0.315 1.00 0.00 C +ATOM 179 CG LEU A 12 52.549 -10.293 1.436 1.00 0.00 C +ATOM 180 CD1 LEU A 12 53.839 -9.475 1.348 1.00 0.00 C +ATOM 181 CD2 LEU A 12 51.344 -9.361 1.287 1.00 0.00 C +ATOM 182 H LEU A 12 52.525 -13.602 1.305 1.00 0.00 H +ATOM 183 HA LEU A 12 50.530 -11.742 0.798 1.00 0.00 H +ATOM 184 HB2 LEU A 12 53.337 -11.867 0.340 1.00 0.00 H +ATOM 185 HB3 LEU A 12 52.504 -10.893 -0.548 1.00 0.00 H +ATOM 186 HG LEU A 12 52.509 -10.741 2.295 1.00 0.00 H +ATOM 187 HD11 LEU A 12 53.853 -8.815 2.059 1.00 0.00 H +ATOM 188 HD12 LEU A 12 54.603 -10.065 1.440 1.00 0.00 H +ATOM 189 HD13 LEU A 12 53.880 -9.026 0.489 1.00 0.00 H +ATOM 190 HD21 LEU A 12 51.356 -8.700 1.997 1.00 0.00 H +ATOM 191 HD22 LEU A 12 51.386 -8.913 0.428 1.00 0.00 H +ATOM 192 HD23 LEU A 12 50.526 -9.879 1.342 1.00 0.00 H +ATOM 193 N THR A 13 49.849 -12.373 -1.467 1.00 0.00 N +ATOM 194 CA THR A 13 49.417 -12.937 -2.778 1.00 0.00 C +ATOM 195 C THR A 13 49.961 -12.086 -3.927 1.00 0.00 C +ATOM 196 O THR A 13 50.429 -10.982 -3.727 1.00 0.00 O +ATOM 197 CB THR A 13 47.889 -12.885 -2.749 1.00 0.00 C +ATOM 198 OG1 THR A 13 47.469 -11.676 -2.132 1.00 0.00 O +ATOM 199 CG2 THR A 13 47.351 -14.079 -1.959 1.00 0.00 C +ATOM 200 H THR A 13 49.359 -11.735 -1.163 1.00 0.00 H +ATOM 201 HA THR A 13 49.747 -13.839 -2.915 1.00 0.00 H +ATOM 202 HB THR A 13 47.547 -12.920 -3.656 1.00 0.00 H +ATOM 203 HG1 THR A 13 47.399 -11.794 -1.303 1.00 0.00 H +ATOM 204 HG21 THR A 13 46.382 -14.045 -1.941 1.00 0.00 H +ATOM 205 HG22 THR A 13 47.638 -14.903 -2.383 1.00 0.00 H +ATOM 206 HG23 THR A 13 47.692 -14.047 -1.051 1.00 0.00 H +ATOM 207 N GLU A 14 49.903 -12.589 -5.130 1.00 0.00 N +ATOM 208 CA GLU A 14 50.416 -11.807 -6.290 1.00 0.00 C +ATOM 209 C GLU A 14 49.737 -10.436 -6.345 1.00 0.00 C +ATOM 210 O GLU A 14 50.248 -9.502 -6.932 1.00 0.00 O +ATOM 211 CB GLU A 14 50.051 -12.638 -7.522 1.00 0.00 C +ATOM 212 CG GLU A 14 48.531 -12.783 -7.610 1.00 0.00 C +ATOM 213 CD GLU A 14 48.124 -14.189 -7.165 1.00 0.00 C +ATOM 214 OE1 GLU A 14 48.985 -15.054 -7.141 1.00 0.00 O +ATOM 215 OE2 GLU A 14 46.959 -14.378 -6.856 1.00 0.00 O +ATOM 216 H GLU A 14 49.582 -13.363 -5.323 1.00 0.00 H +ATOM 217 HA GLU A 14 51.371 -11.647 -6.232 1.00 0.00 H +ATOM 218 HB2 GLU A 14 50.392 -12.211 -8.324 1.00 0.00 H +ATOM 219 HB3 GLU A 14 50.466 -13.513 -7.468 1.00 0.00 H +ATOM 220 HG2 GLU A 14 48.100 -12.119 -7.049 1.00 0.00 H +ATOM 221 HG3 GLU A 14 48.234 -12.623 -8.519 1.00 0.00 H +ATOM 222 N GLU A 15 48.589 -10.306 -5.738 1.00 0.00 N +ATOM 223 CA GLU A 15 47.880 -8.994 -5.756 1.00 0.00 C +ATOM 224 C GLU A 15 48.670 -7.953 -4.959 1.00 0.00 C +ATOM 225 O GLU A 15 48.780 -6.808 -5.352 1.00 0.00 O +ATOM 226 CB GLU A 15 46.529 -9.265 -5.093 1.00 0.00 C +ATOM 227 CG GLU A 15 45.773 -10.329 -5.892 1.00 0.00 C +ATOM 228 CD GLU A 15 44.801 -9.648 -6.857 1.00 0.00 C +ATOM 229 OE1 GLU A 15 45.025 -8.492 -7.173 1.00 0.00 O +ATOM 230 OE2 GLU A 15 43.850 -10.294 -7.263 1.00 0.00 O +ATOM 231 H GLU A 15 48.186 -10.934 -5.310 1.00 0.00 H +ATOM 232 HA GLU A 15 47.780 -8.643 -6.655 1.00 0.00 H +ATOM 233 HB2 GLU A 15 46.660 -9.565 -4.180 1.00 0.00 H +ATOM 234 HB3 GLU A 15 46.009 -8.448 -5.051 1.00 0.00 H +ATOM 235 HG2 GLU A 15 46.399 -10.882 -6.385 1.00 0.00 H +ATOM 236 HG3 GLU A 15 45.289 -10.916 -5.290 1.00 0.00 H +ATOM 237 N GLN A 16 49.221 -8.341 -3.842 1.00 0.00 N +ATOM 238 CA GLN A 16 50.005 -7.372 -3.019 1.00 0.00 C +ATOM 239 C GLN A 16 51.424 -7.251 -3.575 1.00 0.00 C +ATOM 240 O GLN A 16 51.870 -6.183 -3.944 1.00 0.00 O +ATOM 241 CB GLN A 16 50.044 -7.963 -1.604 1.00 0.00 C +ATOM 242 CG GLN A 16 48.735 -8.698 -1.299 1.00 0.00 C +ATOM 243 CD GLN A 16 48.444 -8.624 0.200 1.00 0.00 C +ATOM 244 OE1 GLN A 16 48.655 -9.579 0.921 1.00 0.00 O +ATOM 245 NE2 GLN A 16 47.964 -7.520 0.705 1.00 0.00 N +ATOM 246 H GLN A 16 49.172 -9.138 -3.522 1.00 0.00 H +ATOM 247 HA GLN A 16 49.608 -6.487 -3.026 1.00 0.00 H +ATOM 248 HB2 GLN A 16 50.792 -8.575 -1.523 1.00 0.00 H +ATOM 249 HB3 GLN A 16 50.184 -7.256 -0.955 1.00 0.00 H +ATOM 250 HG2 GLN A 16 48.006 -8.300 -1.800 1.00 0.00 H +ATOM 251 HG3 GLN A 16 48.800 -9.624 -1.580 1.00 0.00 H +ATOM 252 HE21 GLN A 16 47.814 -6.844 0.195 1.00 0.00 H +ATOM 253 HE22 GLN A 16 47.797 -7.469 1.547 1.00 0.00 H +ATOM 254 N LYS A 17 52.134 -8.343 -3.636 1.00 0.00 N +ATOM 255 CA LYS A 17 53.527 -8.302 -4.167 1.00 0.00 C +ATOM 256 C LYS A 17 53.587 -7.446 -5.435 1.00 0.00 C +ATOM 257 O LYS A 17 54.441 -6.594 -5.581 1.00 0.00 O +ATOM 258 CB LYS A 17 53.868 -9.758 -4.487 1.00 0.00 C +ATOM 259 CG LYS A 17 54.468 -10.426 -3.248 1.00 0.00 C +ATOM 260 CD LYS A 17 53.982 -11.874 -3.162 1.00 0.00 C +ATOM 261 CE LYS A 17 55.022 -12.802 -3.796 1.00 0.00 C +ATOM 262 NZ LYS A 17 55.269 -13.864 -2.780 1.00 0.00 N +ATOM 263 H LYS A 17 51.861 -9.120 -3.387 1.00 0.00 H +ATOM 264 HA LYS A 17 54.151 -7.912 -3.535 1.00 0.00 H +ATOM 265 HB2 LYS A 17 53.070 -10.233 -4.768 1.00 0.00 H +ATOM 266 HB3 LYS A 17 54.497 -9.798 -5.225 1.00 0.00 H +ATOM 267 HG2 LYS A 17 55.437 -10.402 -3.293 1.00 0.00 H +ATOM 268 HG3 LYS A 17 54.209 -9.940 -2.449 1.00 0.00 H +ATOM 269 HD2 LYS A 17 53.836 -12.122 -2.236 1.00 0.00 H +ATOM 270 HD3 LYS A 17 53.131 -11.967 -3.618 1.00 0.00 H +ATOM 271 HE2 LYS A 17 54.694 -13.181 -4.626 1.00 0.00 H +ATOM 272 HE3 LYS A 17 55.838 -12.322 -4.007 1.00 0.00 H +ATOM 273 HZ1 LYS A 17 55.517 -14.614 -3.189 1.00 0.00 H +ATOM 274 HZ2 LYS A 17 55.914 -13.601 -2.226 1.00 0.00 H +ATOM 275 HZ3 LYS A 17 54.523 -14.012 -2.317 1.00 0.00 H +ATOM 276 N ASN A 18 52.689 -7.670 -6.354 1.00 0.00 N +ATOM 277 CA ASN A 18 52.696 -6.872 -7.614 1.00 0.00 C +ATOM 278 C ASN A 18 52.776 -5.376 -7.297 1.00 0.00 C +ATOM 279 O ASN A 18 53.296 -4.596 -8.070 1.00 0.00 O +ATOM 280 CB ASN A 18 51.370 -7.203 -8.299 1.00 0.00 C +ATOM 281 CG ASN A 18 51.502 -8.522 -9.064 1.00 0.00 C +ATOM 282 OD1 ASN A 18 52.575 -9.085 -9.148 1.00 0.00 O +ATOM 283 ND2 ASN A 18 50.446 -9.041 -9.629 1.00 0.00 N +ATOM 284 H ASN A 18 52.066 -8.261 -6.298 1.00 0.00 H +ATOM 285 HA ASN A 18 53.459 -7.082 -8.176 1.00 0.00 H +ATOM 286 HB2 ASN A 18 50.663 -7.271 -7.639 1.00 0.00 H +ATOM 287 HB3 ASN A 18 51.123 -6.489 -8.907 1.00 0.00 H +ATOM 288 HD21 ASN A 18 50.510 -9.782 -10.061 1.00 0.00 H +ATOM 289 HD22 ASN A 18 49.686 -8.642 -9.569 1.00 0.00 H +ATOM 290 N GLU A 19 52.263 -4.970 -6.168 1.00 0.00 N +ATOM 291 CA GLU A 19 52.308 -3.524 -5.807 1.00 0.00 C +ATOM 292 C GLU A 19 53.665 -3.173 -5.191 1.00 0.00 C +ATOM 293 O GLU A 19 54.280 -2.186 -5.544 1.00 0.00 O +ATOM 294 CB GLU A 19 51.191 -3.337 -4.782 1.00 0.00 C +ATOM 295 CG GLU A 19 49.834 -3.510 -5.468 1.00 0.00 C +ATOM 296 CD GLU A 19 48.973 -2.269 -5.220 1.00 0.00 C +ATOM 297 OE1 GLU A 19 49.461 -1.177 -5.457 1.00 0.00 O +ATOM 298 OE2 GLU A 19 47.841 -2.434 -4.796 1.00 0.00 O +ATOM 299 H GLU A 19 51.885 -5.481 -5.588 1.00 0.00 H +ATOM 300 HA GLU A 19 52.192 -2.949 -6.580 1.00 0.00 H +ATOM 301 HB2 GLU A 19 51.286 -3.983 -4.064 1.00 0.00 H +ATOM 302 HB3 GLU A 19 51.251 -2.456 -4.381 1.00 0.00 H +ATOM 303 HG2 GLU A 19 49.957 -3.644 -6.421 1.00 0.00 H +ATOM 304 HG3 GLU A 19 49.386 -4.300 -5.126 1.00 0.00 H +ATOM 305 N PHE A 20 54.136 -3.970 -4.272 1.00 0.00 N +ATOM 306 CA PHE A 20 55.452 -3.678 -3.635 1.00 0.00 C +ATOM 307 C PHE A 20 56.567 -3.720 -4.684 1.00 0.00 C +ATOM 308 O PHE A 20 57.445 -2.881 -4.701 1.00 0.00 O +ATOM 309 CB PHE A 20 55.643 -4.782 -2.596 1.00 0.00 C +ATOM 310 CG PHE A 20 54.550 -4.684 -1.560 1.00 0.00 C +ATOM 311 CD1 PHE A 20 54.155 -3.431 -1.078 1.00 0.00 C +ATOM 312 CD2 PHE A 20 53.929 -5.846 -1.083 1.00 0.00 C +ATOM 313 CE1 PHE A 20 53.142 -3.337 -0.118 1.00 0.00 C +ATOM 314 CE2 PHE A 20 52.915 -5.752 -0.123 1.00 0.00 C +ATOM 315 CZ PHE A 20 52.520 -4.498 0.360 1.00 0.00 C +ATOM 316 H PHE A 20 53.741 -4.679 -3.987 1.00 0.00 H +ATOM 317 HA PHE A 20 55.480 -2.796 -3.232 1.00 0.00 H +ATOM 318 HB2 PHE A 20 55.620 -5.652 -3.025 1.00 0.00 H +ATOM 319 HB3 PHE A 20 56.512 -4.697 -2.174 1.00 0.00 H +ATOM 320 HD1 PHE A 20 54.566 -2.660 -1.396 1.00 0.00 H +ATOM 321 HD2 PHE A 20 54.190 -6.679 -1.404 1.00 0.00 H +ATOM 322 HE1 PHE A 20 52.881 -2.504 0.203 1.00 0.00 H +ATOM 323 HE2 PHE A 20 52.503 -6.523 0.195 1.00 0.00 H +ATOM 324 HZ PHE A 20 51.846 -4.436 0.997 1.00 0.00 H +ATOM 325 N LYS A 21 56.538 -4.686 -5.561 1.00 0.00 N +ATOM 326 CA LYS A 21 57.597 -4.769 -6.607 1.00 0.00 C +ATOM 327 C LYS A 21 57.688 -3.441 -7.361 1.00 0.00 C +ATOM 328 O LYS A 21 58.705 -3.110 -7.939 1.00 0.00 O +ATOM 329 CB LYS A 21 57.148 -5.890 -7.543 1.00 0.00 C +ATOM 330 CG LYS A 21 56.945 -7.177 -6.740 1.00 0.00 C +ATOM 331 CD LYS A 21 57.893 -8.259 -7.262 1.00 0.00 C +ATOM 332 CE LYS A 21 57.241 -8.989 -8.438 1.00 0.00 C +ATOM 333 NZ LYS A 21 57.276 -10.431 -8.064 1.00 0.00 N +ATOM 334 H LYS A 21 55.941 -5.304 -5.593 1.00 0.00 H +ATOM 335 HA LYS A 21 58.474 -4.945 -6.232 1.00 0.00 H +ATOM 336 HB2 LYS A 21 56.323 -5.642 -7.988 1.00 0.00 H +ATOM 337 HB3 LYS A 21 57.812 -6.031 -8.236 1.00 0.00 H +ATOM 338 HG2 LYS A 21 57.113 -7.012 -5.799 1.00 0.00 H +ATOM 339 HG3 LYS A 21 56.025 -7.475 -6.816 1.00 0.00 H +ATOM 340 HD2 LYS A 21 58.731 -7.860 -7.542 1.00 0.00 H +ATOM 341 HD3 LYS A 21 58.101 -8.889 -6.554 1.00 0.00 H +ATOM 342 HE2 LYS A 21 56.331 -8.685 -8.579 1.00 0.00 H +ATOM 343 HE3 LYS A 21 57.725 -8.828 -9.263 1.00 0.00 H +ATOM 344 HZ1 LYS A 21 57.158 -10.930 -8.792 1.00 0.00 H +ATOM 345 HZ2 LYS A 21 58.064 -10.624 -7.697 1.00 0.00 H +ATOM 346 HZ3 LYS A 21 56.627 -10.602 -7.479 1.00 0.00 H +ATOM 347 N ALA A 22 56.630 -2.677 -7.359 1.00 0.00 N +ATOM 348 CA ALA A 22 56.650 -1.370 -8.073 1.00 0.00 C +ATOM 349 C ALA A 22 57.619 -0.407 -7.383 1.00 0.00 C +ATOM 350 O ALA A 22 58.600 0.020 -7.961 1.00 0.00 O +ATOM 351 CB ALA A 22 55.216 -0.846 -7.979 1.00 0.00 C +ATOM 352 H ALA A 22 55.889 -2.867 -6.966 1.00 0.00 H +ATOM 353 HA ALA A 22 56.945 -1.457 -8.993 1.00 0.00 H +ATOM 354 HB1 ALA A 22 55.155 0.012 -8.428 1.00 0.00 H +ATOM 355 HB2 ALA A 22 54.613 -1.476 -8.403 1.00 0.00 H +ATOM 356 HB3 ALA A 22 54.970 -0.741 -7.047 1.00 0.00 H +ATOM 357 N ALA A 23 57.358 -0.063 -6.151 1.00 0.00 N +ATOM 358 CA ALA A 23 58.272 0.869 -5.430 1.00 0.00 C +ATOM 359 C ALA A 23 59.677 0.268 -5.357 1.00 0.00 C +ATOM 360 O ALA A 23 60.660 0.928 -5.625 1.00 0.00 O +ATOM 361 CB ALA A 23 57.673 1.018 -4.032 1.00 0.00 C +ATOM 362 H ALA A 23 56.680 -0.335 -5.698 1.00 0.00 H +ATOM 363 HA ALA A 23 58.353 1.726 -5.876 1.00 0.00 H +ATOM 364 HB1 ALA A 23 58.225 1.618 -3.506 1.00 0.00 H +ATOM 365 HB2 ALA A 23 56.776 1.381 -4.101 1.00 0.00 H +ATOM 366 HB3 ALA A 23 57.637 0.150 -3.601 1.00 0.00 H +ATOM 367 N PHE A 24 59.780 -0.986 -5.005 1.00 0.00 N +ATOM 368 CA PHE A 24 61.124 -1.625 -4.930 1.00 0.00 C +ATOM 369 C PHE A 24 61.926 -1.273 -6.183 1.00 0.00 C +ATOM 370 O PHE A 24 63.120 -1.054 -6.130 1.00 0.00 O +ATOM 371 CB PHE A 24 60.846 -3.128 -4.868 1.00 0.00 C +ATOM 372 CG PHE A 24 62.144 -3.890 -4.995 1.00 0.00 C +ATOM 373 CD1 PHE A 24 62.905 -4.170 -3.853 1.00 0.00 C +ATOM 374 CD2 PHE A 24 62.586 -4.315 -6.253 1.00 0.00 C +ATOM 375 CE1 PHE A 24 64.106 -4.878 -3.969 1.00 0.00 C +ATOM 376 CE2 PHE A 24 63.789 -5.022 -6.369 1.00 0.00 C +ATOM 377 CZ PHE A 24 64.550 -5.304 -5.227 1.00 0.00 C +ATOM 378 H PHE A 24 59.118 -1.497 -4.805 1.00 0.00 H +ATOM 379 HA PHE A 24 61.640 -1.327 -4.165 1.00 0.00 H +ATOM 380 HB2 PHE A 24 60.410 -3.351 -4.031 1.00 0.00 H +ATOM 381 HB3 PHE A 24 60.239 -3.384 -5.581 1.00 0.00 H +ATOM 382 HD1 PHE A 24 62.612 -3.885 -3.018 1.00 0.00 H +ATOM 383 HD2 PHE A 24 62.081 -4.128 -7.011 1.00 0.00 H +ATOM 384 HE1 PHE A 24 64.610 -5.066 -3.210 1.00 0.00 H +ATOM 385 HE2 PHE A 24 64.083 -5.305 -7.205 1.00 0.00 H +ATOM 386 HZ PHE A 24 65.349 -5.774 -5.304 1.00 0.00 H +ATOM 387 N ASP A 25 61.272 -1.205 -7.311 1.00 0.00 N +ATOM 388 CA ASP A 25 61.985 -0.854 -8.572 1.00 0.00 C +ATOM 389 C ASP A 25 62.357 0.631 -8.560 1.00 0.00 C +ATOM 390 O ASP A 25 63.511 0.994 -8.676 1.00 0.00 O +ATOM 391 CB ASP A 25 60.982 -1.149 -9.688 1.00 0.00 C +ATOM 392 CG ASP A 25 61.684 -1.898 -10.821 1.00 0.00 C +ATOM 393 OD1 ASP A 25 62.897 -1.803 -10.908 1.00 0.00 O +ATOM 394 OD2 ASP A 25 60.995 -2.555 -11.585 1.00 0.00 O +ATOM 395 H ASP A 25 60.429 -1.351 -7.397 1.00 0.00 H +ATOM 396 HA ASP A 25 62.808 -1.354 -8.687 1.00 0.00 H +ATOM 397 HB2 ASP A 25 60.247 -1.680 -9.343 1.00 0.00 H +ATOM 398 HB3 ASP A 25 60.602 -0.321 -10.021 1.00 0.00 H +ATOM 399 N ILE A 26 61.387 1.493 -8.415 1.00 0.00 N +ATOM 400 CA ILE A 26 61.683 2.954 -8.389 1.00 0.00 C +ATOM 401 C ILE A 26 62.563 3.288 -7.182 1.00 0.00 C +ATOM 402 O ILE A 26 63.244 4.293 -7.155 1.00 0.00 O +ATOM 403 CB ILE A 26 60.319 3.635 -8.262 1.00 0.00 C +ATOM 404 CG1 ILE A 26 59.603 3.593 -9.613 1.00 0.00 C +ATOM 405 CG2 ILE A 26 60.509 5.091 -7.834 1.00 0.00 C +ATOM 406 CD1 ILE A 26 58.655 2.395 -9.648 1.00 0.00 C +ATOM 407 H ILE A 26 60.557 1.287 -8.329 1.00 0.00 H +ATOM 408 HA ILE A 26 62.161 3.247 -9.181 1.00 0.00 H +ATOM 409 HB ILE A 26 59.788 3.170 -7.596 1.00 0.00 H +ATOM 410 HG12 ILE A 26 59.107 4.415 -9.753 1.00 0.00 H +ATOM 411 HG13 ILE A 26 60.251 3.527 -10.332 1.00 0.00 H +ATOM 412 HG21 ILE A 26 59.643 5.521 -7.754 1.00 0.00 H +ATOM 413 HG22 ILE A 26 60.964 5.120 -6.978 1.00 0.00 H +ATOM 414 HG23 ILE A 26 61.041 5.557 -8.498 1.00 0.00 H +ATOM 415 HD11 ILE A 26 58.200 2.367 -10.504 1.00 0.00 H +ATOM 416 HD12 ILE A 26 59.162 1.577 -9.525 1.00 0.00 H +ATOM 417 HD13 ILE A 26 58.000 2.479 -8.937 1.00 0.00 H +ATOM 418 N PHE A 27 62.556 2.446 -6.183 1.00 0.00 N +ATOM 419 CA PHE A 27 63.391 2.709 -4.976 1.00 0.00 C +ATOM 420 C PHE A 27 64.871 2.481 -5.301 1.00 0.00 C +ATOM 421 O PHE A 27 65.744 3.108 -4.737 1.00 0.00 O +ATOM 422 CB PHE A 27 62.912 1.695 -3.935 1.00 0.00 C +ATOM 423 CG PHE A 27 61.843 2.316 -3.066 1.00 0.00 C +ATOM 424 CD1 PHE A 27 61.096 3.405 -3.536 1.00 0.00 C +ATOM 425 CD2 PHE A 27 61.597 1.800 -1.788 1.00 0.00 C +ATOM 426 CE1 PHE A 27 60.106 3.976 -2.726 1.00 0.00 C +ATOM 427 CE2 PHE A 27 60.607 2.371 -0.980 1.00 0.00 C +ATOM 428 CZ PHE A 27 59.861 3.459 -1.449 1.00 0.00 C +ATOM 429 H PHE A 27 62.093 1.722 -6.156 1.00 0.00 H +ATOM 430 HA PHE A 27 63.305 3.622 -4.661 1.00 0.00 H +ATOM 431 HB2 PHE A 27 62.562 0.906 -4.378 1.00 0.00 H +ATOM 432 HB3 PHE A 27 63.658 1.406 -3.387 1.00 0.00 H +ATOM 433 HD1 PHE A 27 61.258 3.748 -4.385 1.00 0.00 H +ATOM 434 HD2 PHE A 27 62.092 1.077 -1.476 1.00 0.00 H +ATOM 435 HE1 PHE A 27 59.611 4.699 -3.037 1.00 0.00 H +ATOM 436 HE2 PHE A 27 60.445 2.028 -0.131 1.00 0.00 H +ATOM 437 HZ PHE A 27 59.203 3.838 -0.912 1.00 0.00 H +ATOM 438 N VAL A 28 65.155 1.583 -6.205 1.00 0.00 N +ATOM 439 CA VAL A 28 66.575 1.308 -6.567 1.00 0.00 C +ATOM 440 C VAL A 28 66.862 1.800 -7.988 1.00 0.00 C +ATOM 441 O VAL A 28 67.799 1.365 -8.627 1.00 0.00 O +ATOM 442 CB VAL A 28 66.706 -0.212 -6.498 1.00 0.00 C +ATOM 443 CG1 VAL A 28 66.112 -0.719 -5.183 1.00 0.00 C +ATOM 444 CG2 VAL A 28 65.953 -0.837 -7.674 1.00 0.00 C +ATOM 445 H VAL A 28 64.572 1.114 -6.630 1.00 0.00 H +ATOM 446 HA VAL A 28 67.200 1.759 -5.978 1.00 0.00 H +ATOM 447 HB VAL A 28 67.643 -0.459 -6.543 1.00 0.00 H +ATOM 448 HG11 VAL A 28 66.196 -1.684 -5.141 1.00 0.00 H +ATOM 449 HG12 VAL A 28 66.588 -0.321 -4.438 1.00 0.00 H +ATOM 450 HG13 VAL A 28 65.175 -0.474 -5.135 1.00 0.00 H +ATOM 451 HG21 VAL A 28 66.034 -1.803 -7.634 1.00 0.00 H +ATOM 452 HG22 VAL A 28 65.016 -0.589 -7.627 1.00 0.00 H +ATOM 453 HG23 VAL A 28 66.331 -0.516 -8.508 1.00 0.00 H +ATOM 454 N LEU A 29 66.060 2.697 -8.488 1.00 0.00 N +ATOM 455 CA LEU A 29 66.284 3.208 -9.869 1.00 0.00 C +ATOM 456 C LEU A 29 67.688 3.807 -9.996 1.00 0.00 C +ATOM 457 O LEU A 29 67.885 4.993 -9.821 1.00 0.00 O +ATOM 458 CB LEU A 29 65.221 4.289 -10.068 1.00 0.00 C +ATOM 459 CG LEU A 29 64.630 4.174 -11.474 1.00 0.00 C +ATOM 460 CD1 LEU A 29 63.672 5.339 -11.724 1.00 0.00 C +ATOM 461 CD2 LEU A 29 65.760 4.213 -12.506 1.00 0.00 C +ATOM 462 H LEU A 29 65.385 3.036 -8.077 1.00 0.00 H +ATOM 463 HA LEU A 29 66.218 2.505 -10.534 1.00 0.00 H +ATOM 464 HB2 LEU A 29 64.521 4.193 -9.404 1.00 0.00 H +ATOM 465 HB3 LEU A 29 65.612 5.168 -9.943 1.00 0.00 H +ATOM 466 HG LEU A 29 64.147 3.337 -11.553 1.00 0.00 H +ATOM 467 HD11 LEU A 29 63.298 5.265 -12.616 1.00 0.00 H +ATOM 468 HD12 LEU A 29 62.956 5.315 -11.070 1.00 0.00 H +ATOM 469 HD13 LEU A 29 64.154 6.177 -11.645 1.00 0.00 H +ATOM 470 HD21 LEU A 29 65.386 4.140 -13.398 1.00 0.00 H +ATOM 471 HD22 LEU A 29 66.243 5.050 -12.426 1.00 0.00 H +ATOM 472 HD23 LEU A 29 66.368 3.473 -12.349 1.00 0.00 H +ATOM 473 N GLY A 30 68.664 2.996 -10.304 1.00 0.00 N +ATOM 474 CA GLY A 30 70.052 3.523 -10.446 1.00 0.00 C +ATOM 475 C GLY A 30 70.993 2.761 -9.510 1.00 0.00 C +ATOM 476 O GLY A 30 72.187 2.986 -9.499 1.00 0.00 O +ATOM 477 H GLY A 30 68.577 2.151 -10.438 1.00 0.00 H +ATOM 478 HA2 GLY A 30 70.350 3.430 -11.364 1.00 0.00 H +ATOM 479 HA3 GLY A 30 70.071 4.470 -10.237 1.00 0.00 H +ATOM 480 N ALA A 31 70.468 1.861 -8.724 1.00 0.00 N +ATOM 481 CA ALA A 31 71.338 1.089 -7.790 1.00 0.00 C +ATOM 482 C ALA A 31 72.353 0.252 -8.575 1.00 0.00 C +ATOM 483 O ALA A 31 72.293 0.160 -9.785 1.00 0.00 O +ATOM 484 CB ALA A 31 70.383 0.183 -7.013 1.00 0.00 C +ATOM 485 H ALA A 31 69.632 1.663 -8.693 1.00 0.00 H +ATOM 486 HA ALA A 31 71.847 1.669 -7.202 1.00 0.00 H +ATOM 487 HB1 ALA A 31 70.887 -0.353 -6.381 1.00 0.00 H +ATOM 488 HB2 ALA A 31 69.739 0.727 -6.533 1.00 0.00 H +ATOM 489 HB3 ALA A 31 69.916 -0.401 -7.631 1.00 0.00 H +ATOM 490 N GLU A 32 73.285 -0.356 -7.894 1.00 0.00 N +ATOM 491 CA GLU A 32 74.305 -1.186 -8.596 1.00 0.00 C +ATOM 492 C GLU A 32 73.906 -2.663 -8.557 1.00 0.00 C +ATOM 493 O GLU A 32 73.984 -3.364 -9.546 1.00 0.00 O +ATOM 494 CB GLU A 32 75.601 -0.960 -7.815 1.00 0.00 C +ATOM 495 CG GLU A 32 76.777 -1.553 -8.591 1.00 0.00 C +ATOM 496 CD GLU A 32 77.634 -0.422 -9.161 1.00 0.00 C +ATOM 497 OE1 GLU A 32 77.552 0.677 -8.636 1.00 0.00 O +ATOM 498 OE2 GLU A 32 78.355 -0.672 -10.111 1.00 0.00 O +ATOM 499 H GLU A 32 73.369 -0.320 -7.039 1.00 0.00 H +ATOM 500 HA GLU A 32 74.396 -0.944 -9.531 1.00 0.00 H +ATOM 501 HB2 GLU A 32 75.742 -0.011 -7.672 1.00 0.00 H +ATOM 502 HB3 GLU A 32 75.538 -1.373 -6.940 1.00 0.00 H +ATOM 503 HG2 GLU A 32 77.312 -2.115 -8.008 1.00 0.00 H +ATOM 504 HG3 GLU A 32 76.451 -2.118 -9.309 1.00 0.00 H +ATOM 505 N ASP A 33 73.480 -3.141 -7.420 1.00 0.00 N +ATOM 506 CA ASP A 33 73.077 -4.573 -7.317 1.00 0.00 C +ATOM 507 C ASP A 33 71.552 -4.688 -7.249 1.00 0.00 C +ATOM 508 O ASP A 33 70.958 -5.562 -7.851 1.00 0.00 O +ATOM 509 CB ASP A 33 73.711 -5.069 -6.017 1.00 0.00 C +ATOM 510 CG ASP A 33 73.926 -6.581 -6.097 1.00 0.00 C +ATOM 511 OD1 ASP A 33 74.282 -7.053 -7.164 1.00 0.00 O +ATOM 512 OD2 ASP A 33 73.730 -7.242 -5.091 1.00 0.00 O +ATOM 513 H ASP A 33 73.407 -2.687 -6.693 1.00 0.00 H +ATOM 514 HA ASP A 33 73.366 -5.093 -8.083 1.00 0.00 H +ATOM 515 HB2 ASP A 33 74.558 -4.620 -5.867 1.00 0.00 H +ATOM 516 HB3 ASP A 33 73.139 -4.854 -5.264 1.00 0.00 H +ATOM 517 N GLY A 34 70.913 -3.813 -6.522 1.00 0.00 N +ATOM 518 CA GLY A 34 69.428 -3.871 -6.414 1.00 0.00 C +ATOM 519 C GLY A 34 69.013 -3.601 -4.968 1.00 0.00 C +ATOM 520 O GLY A 34 68.185 -4.294 -4.409 1.00 0.00 O +ATOM 521 H GLY A 34 71.287 -3.177 -6.080 1.00 0.00 H +ATOM 522 HA2 GLY A 34 69.025 -3.215 -7.004 1.00 0.00 H +ATOM 523 HA3 GLY A 34 69.107 -4.742 -6.696 1.00 0.00 H +ATOM 524 N CYS A 35 69.582 -2.599 -4.357 1.00 0.00 N +ATOM 525 CA CYS A 35 69.222 -2.284 -2.945 1.00 0.00 C +ATOM 526 C CYS A 35 68.904 -0.792 -2.805 1.00 0.00 C +ATOM 527 O CYS A 35 68.749 -0.088 -3.782 1.00 0.00 O +ATOM 528 CB CYS A 35 70.464 -2.647 -2.133 1.00 0.00 C +ATOM 529 SG CYS A 35 71.020 -4.308 -2.590 1.00 0.00 S +ATOM 530 H CYS A 35 70.171 -2.081 -4.709 1.00 0.00 H +ATOM 531 HA CYS A 35 68.438 -2.770 -2.645 1.00 0.00 H +ATOM 532 HB2 CYS A 35 71.170 -2.002 -2.298 1.00 0.00 H +ATOM 533 HB3 CYS A 35 70.264 -2.612 -1.185 1.00 0.00 H +ATOM 534 HG CYS A 35 70.085 -4.950 -2.981 1.00 0.00 H +ATOM 535 N ILE A 36 68.805 -0.306 -1.598 1.00 0.00 N +ATOM 536 CA ILE A 36 68.496 1.141 -1.406 1.00 0.00 C +ATOM 537 C ILE A 36 69.512 1.784 -0.457 1.00 0.00 C +ATOM 538 O ILE A 36 70.156 1.116 0.327 1.00 0.00 O +ATOM 539 CB ILE A 36 67.097 1.174 -0.791 1.00 0.00 C +ATOM 540 CG1 ILE A 36 66.068 0.771 -1.849 1.00 0.00 C +ATOM 541 CG2 ILE A 36 66.795 2.590 -0.299 1.00 0.00 C +ATOM 542 CD1 ILE A 36 64.903 0.041 -1.176 1.00 0.00 C +ATOM 543 H ILE A 36 68.905 -0.760 -0.874 1.00 0.00 H +ATOM 544 HA ILE A 36 68.538 1.634 -2.240 1.00 0.00 H +ATOM 545 HB ILE A 36 67.053 0.555 -0.045 1.00 0.00 H +ATOM 546 HG12 ILE A 36 65.744 1.558 -2.315 1.00 0.00 H +ATOM 547 HG13 ILE A 36 66.481 0.198 -2.514 1.00 0.00 H +ATOM 548 HG21 ILE A 36 65.908 2.615 0.092 1.00 0.00 H +ATOM 549 HG22 ILE A 36 67.450 2.847 0.369 1.00 0.00 H +ATOM 550 HG23 ILE A 36 66.836 3.208 -1.046 1.00 0.00 H +ATOM 551 HD11 ILE A 36 64.250 -0.215 -1.847 1.00 0.00 H +ATOM 552 HD12 ILE A 36 65.234 -0.753 -0.728 1.00 0.00 H +ATOM 553 HD13 ILE A 36 64.485 0.628 -0.526 1.00 0.00 H +ATOM 554 N SER A 37 69.656 3.077 -0.528 1.00 0.00 N +ATOM 555 CA SER A 37 70.625 3.779 0.360 1.00 0.00 C +ATOM 556 C SER A 37 70.238 5.251 0.477 1.00 0.00 C +ATOM 557 O SER A 37 71.079 6.118 0.587 1.00 0.00 O +ATOM 558 CB SER A 37 71.961 3.648 -0.353 1.00 0.00 C +ATOM 559 OG SER A 37 73.014 3.726 0.598 1.00 0.00 O +ATOM 560 H SER A 37 69.222 3.587 -1.067 1.00 0.00 H +ATOM 561 HA SER A 37 70.648 3.410 1.257 1.00 0.00 H +ATOM 562 HB2 SER A 37 72.003 2.804 -0.829 1.00 0.00 H +ATOM 563 HB3 SER A 37 72.056 4.351 -1.014 1.00 0.00 H +ATOM 564 HG SER A 37 72.895 4.393 1.094 1.00 0.00 H +ATOM 565 N THR A 38 68.967 5.524 0.427 1.00 0.00 N +ATOM 566 CA THR A 38 68.461 6.934 0.505 1.00 0.00 C +ATOM 567 C THR A 38 68.721 7.643 -0.826 1.00 0.00 C +ATOM 568 O THR A 38 67.829 8.223 -1.413 1.00 0.00 O +ATOM 569 CB THR A 38 69.214 7.632 1.652 1.00 0.00 C +ATOM 570 OG1 THR A 38 70.417 8.205 1.161 1.00 0.00 O +ATOM 571 CG2 THR A 38 69.528 6.634 2.772 1.00 0.00 C +ATOM 572 H THR A 38 68.351 4.929 0.348 1.00 0.00 H +ATOM 573 HA THR A 38 67.506 6.956 0.674 1.00 0.00 H +ATOM 574 HB THR A 38 68.650 8.334 2.013 1.00 0.00 H +ATOM 575 HG1 THR A 38 70.975 7.596 1.007 1.00 0.00 H +ATOM 576 HG21 THR A 38 70.002 7.088 3.487 1.00 0.00 H +ATOM 577 HG22 THR A 38 68.701 6.264 3.117 1.00 0.00 H +ATOM 578 HG23 THR A 38 70.081 5.918 2.422 1.00 0.00 H +ATOM 579 N LYS A 39 69.929 7.593 -1.317 1.00 0.00 N +ATOM 580 CA LYS A 39 70.223 8.254 -2.619 1.00 0.00 C +ATOM 581 C LYS A 39 69.120 7.914 -3.623 1.00 0.00 C +ATOM 582 O LYS A 39 68.686 8.748 -4.392 1.00 0.00 O +ATOM 583 CB LYS A 39 71.562 7.669 -3.069 1.00 0.00 C +ATOM 584 CG LYS A 39 72.599 8.789 -3.171 1.00 0.00 C +ATOM 585 CD LYS A 39 72.884 9.088 -4.643 1.00 0.00 C +ATOM 586 CE LYS A 39 71.855 10.091 -5.170 1.00 0.00 C +ATOM 587 NZ LYS A 39 72.207 10.286 -6.604 1.00 0.00 N +ATOM 588 H LYS A 39 70.597 7.199 -0.945 1.00 0.00 H +ATOM 589 HA LYS A 39 70.262 9.221 -2.548 1.00 0.00 H +ATOM 590 HB2 LYS A 39 71.860 6.995 -2.438 1.00 0.00 H +ATOM 591 HB3 LYS A 39 71.462 7.229 -3.927 1.00 0.00 H +ATOM 592 HG2 LYS A 39 72.272 9.587 -2.726 1.00 0.00 H +ATOM 593 HG3 LYS A 39 73.417 8.528 -2.720 1.00 0.00 H +ATOM 594 HD2 LYS A 39 73.780 9.447 -4.742 1.00 0.00 H +ATOM 595 HD3 LYS A 39 72.847 8.269 -5.162 1.00 0.00 H +ATOM 596 HE2 LYS A 39 70.952 9.751 -5.073 1.00 0.00 H +ATOM 597 HE3 LYS A 39 71.897 10.928 -4.681 1.00 0.00 H +ATOM 598 HZ1 LYS A 39 71.464 10.288 -7.095 1.00 0.00 H +ATOM 599 HZ2 LYS A 39 72.630 11.063 -6.703 1.00 0.00 H +ATOM 600 HZ3 LYS A 39 72.737 9.624 -6.872 1.00 0.00 H +ATOM 601 N GLU A 40 68.654 6.693 -3.613 1.00 0.00 N +ATOM 602 CA GLU A 40 67.568 6.300 -4.558 1.00 0.00 C +ATOM 603 C GLU A 40 66.210 6.465 -3.876 1.00 0.00 C +ATOM 604 O GLU A 40 65.245 6.893 -4.479 1.00 0.00 O +ATOM 605 CB GLU A 40 67.823 4.826 -4.884 1.00 0.00 C +ATOM 606 CG GLU A 40 69.319 4.592 -5.099 1.00 0.00 C +ATOM 607 CD GLU A 40 69.780 5.352 -6.343 1.00 0.00 C +ATOM 608 OE1 GLU A 40 68.971 6.068 -6.910 1.00 0.00 O +ATOM 609 OE2 GLU A 40 70.935 5.206 -6.709 1.00 0.00 O +ATOM 610 H GLU A 40 68.927 6.068 -3.089 1.00 0.00 H +ATOM 611 HA GLU A 40 67.563 6.847 -5.359 1.00 0.00 H +ATOM 612 HB2 GLU A 40 67.501 4.266 -4.161 1.00 0.00 H +ATOM 613 HB3 GLU A 40 67.330 4.573 -5.680 1.00 0.00 H +ATOM 614 HG2 GLU A 40 69.818 4.890 -4.322 1.00 0.00 H +ATOM 615 HG3 GLU A 40 69.496 3.644 -5.203 1.00 0.00 H +ATOM 616 N LEU A 41 66.132 6.128 -2.617 1.00 0.00 N +ATOM 617 CA LEU A 41 64.844 6.260 -1.880 1.00 0.00 C +ATOM 618 C LEU A 41 64.394 7.724 -1.858 1.00 0.00 C +ATOM 619 O LEU A 41 63.308 8.055 -2.292 1.00 0.00 O +ATOM 620 CB LEU A 41 65.155 5.770 -0.464 1.00 0.00 C +ATOM 621 CG LEU A 41 63.864 5.330 0.225 1.00 0.00 C +ATOM 622 CD1 LEU A 41 62.811 6.427 0.074 1.00 0.00 C +ATOM 623 CD2 LEU A 41 63.353 4.039 -0.420 1.00 0.00 C +ATOM 624 H LEU A 41 66.787 5.822 -2.152 1.00 0.00 H +ATOM 625 HA LEU A 41 64.127 5.753 -2.292 1.00 0.00 H +ATOM 626 HB2 LEU A 41 65.782 5.030 -0.499 1.00 0.00 H +ATOM 627 HB3 LEU A 41 65.579 6.477 0.046 1.00 0.00 H +ATOM 628 HG LEU A 41 64.037 5.172 1.166 1.00 0.00 H +ATOM 629 HD11 LEU A 41 61.990 6.150 0.511 1.00 0.00 H +ATOM 630 HD12 LEU A 41 63.134 7.245 0.483 1.00 0.00 H +ATOM 631 HD13 LEU A 41 62.639 6.583 -0.868 1.00 0.00 H +ATOM 632 HD21 LEU A 41 62.534 3.761 0.018 1.00 0.00 H +ATOM 633 HD22 LEU A 41 63.179 4.194 -1.362 1.00 0.00 H +ATOM 634 HD23 LEU A 41 64.022 3.343 -0.326 1.00 0.00 H +ATOM 635 N GLY A 42 65.219 8.601 -1.356 1.00 0.00 N +ATOM 636 CA GLY A 42 64.837 10.041 -1.307 1.00 0.00 C +ATOM 637 C GLY A 42 64.341 10.487 -2.683 1.00 0.00 C +ATOM 638 O GLY A 42 63.418 11.267 -2.797 1.00 0.00 O +ATOM 639 H GLY A 42 65.996 8.417 -1.037 1.00 0.00 H +ATOM 640 HA2 GLY A 42 64.144 10.179 -0.643 1.00 0.00 H +ATOM 641 HA3 GLY A 42 65.598 10.578 -1.038 1.00 0.00 H +ATOM 642 N LYS A 43 64.946 9.995 -3.731 1.00 0.00 N +ATOM 643 CA LYS A 43 64.505 10.392 -5.099 1.00 0.00 C +ATOM 644 C LYS A 43 62.984 10.277 -5.217 1.00 0.00 C +ATOM 645 O LYS A 43 62.350 11.013 -5.948 1.00 0.00 O +ATOM 646 CB LYS A 43 65.193 9.404 -6.041 1.00 0.00 C +ATOM 647 CG LYS A 43 66.021 10.174 -7.072 1.00 0.00 C +ATOM 648 CD LYS A 43 67.056 9.240 -7.698 1.00 0.00 C +ATOM 649 CE LYS A 43 66.684 8.969 -9.158 1.00 0.00 C +ATOM 650 NZ LYS A 43 65.239 8.612 -9.127 1.00 0.00 N +ATOM 651 H LYS A 43 65.603 9.440 -3.704 1.00 0.00 H +ATOM 652 HA LYS A 43 64.736 11.311 -5.307 1.00 0.00 H +ATOM 653 HB2 LYS A 43 65.764 8.805 -5.536 1.00 0.00 H +ATOM 654 HB3 LYS A 43 64.531 8.855 -6.489 1.00 0.00 H +ATOM 655 HG2 LYS A 43 65.442 10.537 -7.760 1.00 0.00 H +ATOM 656 HG3 LYS A 43 66.464 10.926 -6.648 1.00 0.00 H +ATOM 657 HD2 LYS A 43 67.938 9.640 -7.648 1.00 0.00 H +ATOM 658 HD3 LYS A 43 67.094 8.406 -7.204 1.00 0.00 H +ATOM 659 HE2 LYS A 43 66.841 9.750 -9.711 1.00 0.00 H +ATOM 660 HE3 LYS A 43 67.216 8.247 -9.528 1.00 0.00 H +ATOM 661 HZ1 LYS A 43 65.033 8.145 -9.856 1.00 0.00 H +ATOM 662 HZ2 LYS A 43 65.070 8.122 -8.404 1.00 0.00 H +ATOM 663 HZ3 LYS A 43 64.750 9.355 -9.103 1.00 0.00 H +ATOM 664 N VAL A 44 62.392 9.360 -4.503 1.00 0.00 N +ATOM 665 CA VAL A 44 60.911 9.199 -4.574 1.00 0.00 C +ATOM 666 C VAL A 44 60.226 10.217 -3.657 1.00 0.00 C +ATOM 667 O VAL A 44 59.162 10.720 -3.956 1.00 0.00 O +ATOM 668 CB VAL A 44 60.643 7.775 -4.086 1.00 0.00 C +ATOM 669 CG1 VAL A 44 59.156 7.620 -3.760 1.00 0.00 C +ATOM 670 CG2 VAL A 44 61.029 6.779 -5.181 1.00 0.00 C +ATOM 671 H VAL A 44 62.794 8.816 -3.972 1.00 0.00 H +ATOM 672 HA VAL A 44 60.567 9.346 -5.469 1.00 0.00 H +ATOM 673 HB VAL A 44 61.170 7.602 -3.290 1.00 0.00 H +ATOM 674 HG11 VAL A 44 58.985 6.717 -3.450 1.00 0.00 H +ATOM 675 HG12 VAL A 44 58.909 8.251 -3.066 1.00 0.00 H +ATOM 676 HG13 VAL A 44 58.630 7.793 -4.556 1.00 0.00 H +ATOM 677 HG21 VAL A 44 60.859 5.876 -4.871 1.00 0.00 H +ATOM 678 HG22 VAL A 44 60.502 6.952 -5.977 1.00 0.00 H +ATOM 679 HG23 VAL A 44 61.971 6.877 -5.390 1.00 0.00 H +ATOM 680 N MET A 45 60.830 10.522 -2.542 1.00 0.00 N +ATOM 681 CA MET A 45 60.214 11.505 -1.605 1.00 0.00 C +ATOM 682 C MET A 45 59.821 12.778 -2.358 1.00 0.00 C +ATOM 683 O MET A 45 58.682 13.202 -2.323 1.00 0.00 O +ATOM 684 CB MET A 45 61.302 11.805 -0.573 1.00 0.00 C +ATOM 685 CG MET A 45 61.687 10.514 0.154 1.00 0.00 C +ATOM 686 SD MET A 45 60.199 9.741 0.836 1.00 0.00 S +ATOM 687 CE MET A 45 59.766 8.757 -0.620 1.00 0.00 C +ATOM 688 H MET A 45 61.583 10.195 -2.286 1.00 0.00 H +ATOM 689 HA MET A 45 59.407 11.162 -1.191 1.00 0.00 H +ATOM 690 HB2 MET A 45 62.080 12.186 -1.010 1.00 0.00 H +ATOM 691 HB3 MET A 45 60.984 12.464 0.064 1.00 0.00 H +ATOM 692 HG2 MET A 45 62.128 9.905 -0.459 1.00 0.00 H +ATOM 693 HG3 MET A 45 62.318 10.707 0.865 1.00 0.00 H +ATOM 694 HE1 MET A 45 58.959 8.250 -0.440 1.00 0.00 H +ATOM 695 HE2 MET A 45 59.616 9.346 -1.376 1.00 0.00 H +ATOM 696 HE3 MET A 45 60.491 8.146 -0.826 1.00 0.00 H +ATOM 697 N ARG A 46 60.749 13.393 -3.041 1.00 0.00 N +ATOM 698 CA ARG A 46 60.412 14.636 -3.793 1.00 0.00 C +ATOM 699 C ARG A 46 59.106 14.434 -4.563 1.00 0.00 C +ATOM 700 O ARG A 46 58.307 15.338 -4.699 1.00 0.00 O +ATOM 701 CB ARG A 46 61.582 14.861 -4.752 1.00 0.00 C +ATOM 702 CG ARG A 46 61.851 13.583 -5.548 1.00 0.00 C +ATOM 703 CD ARG A 46 62.837 13.886 -6.679 1.00 0.00 C +ATOM 704 NE ARG A 46 62.106 14.812 -7.588 1.00 0.00 N +ATOM 705 CZ ARG A 46 62.769 15.586 -8.402 1.00 0.00 C +ATOM 706 NH1 ARG A 46 63.580 15.066 -9.282 1.00 0.00 N +ATOM 707 NH2 ARG A 46 62.622 16.882 -8.335 1.00 0.00 N +ATOM 708 H ARG A 46 61.568 13.138 -3.100 1.00 0.00 H +ATOM 709 HA ARG A 46 60.284 15.400 -3.209 1.00 0.00 H +ATOM 710 HB2 ARG A 46 61.380 15.592 -5.356 1.00 0.00 H +ATOM 711 HB3 ARG A 46 62.375 15.115 -4.254 1.00 0.00 H +ATOM 712 HG2 ARG A 46 62.213 12.897 -4.965 1.00 0.00 H +ATOM 713 HG3 ARG A 46 61.022 13.237 -5.913 1.00 0.00 H +ATOM 714 HD2 ARG A 46 63.648 14.295 -6.338 1.00 0.00 H +ATOM 715 HD3 ARG A 46 63.101 13.075 -7.141 1.00 0.00 H +ATOM 716 HE ARG A 46 61.246 14.836 -7.576 1.00 0.00 H +ATOM 717 HH11 ARG A 46 63.678 14.213 -9.325 1.00 0.00 H +ATOM 718 HH12 ARG A 46 64.017 15.577 -9.819 1.00 0.00 H +ATOM 719 HH21 ARG A 46 62.088 17.225 -7.754 1.00 0.00 H +ATOM 720 HH22 ARG A 46 63.059 17.393 -8.872 1.00 0.00 H +ATOM 721 N MET A 47 58.878 13.246 -5.057 1.00 0.00 N +ATOM 722 CA MET A 47 57.617 12.979 -5.805 1.00 0.00 C +ATOM 723 C MET A 47 56.501 12.630 -4.819 1.00 0.00 C +ATOM 724 O MET A 47 55.343 12.920 -5.044 1.00 0.00 O +ATOM 725 CB MET A 47 57.931 11.781 -6.704 1.00 0.00 C +ATOM 726 CG MET A 47 59.061 12.145 -7.668 1.00 0.00 C +ATOM 727 SD MET A 47 59.070 10.978 -9.051 1.00 0.00 S +ATOM 728 CE MET A 47 58.985 9.461 -8.068 1.00 0.00 C +ATOM 729 H MET A 47 59.411 12.575 -4.987 1.00 0.00 H +ATOM 730 HA MET A 47 57.321 13.746 -6.320 1.00 0.00 H +ATOM 731 HB2 MET A 47 58.188 11.018 -6.163 1.00 0.00 H +ATOM 732 HB3 MET A 47 57.140 11.522 -7.202 1.00 0.00 H +ATOM 733 HG2 MET A 47 58.941 13.050 -7.996 1.00 0.00 H +ATOM 734 HG3 MET A 47 59.914 12.121 -7.206 1.00 0.00 H +ATOM 735 HE1 MET A 47 58.980 8.692 -8.659 1.00 0.00 H +ATOM 736 HE2 MET A 47 59.756 9.412 -7.481 1.00 0.00 H +ATOM 737 HE3 MET A 47 58.174 9.465 -7.536 1.00 0.00 H +ATOM 738 N LEU A 48 56.848 12.012 -3.724 1.00 0.00 N +ATOM 739 CA LEU A 48 55.821 11.641 -2.710 1.00 0.00 C +ATOM 740 C LEU A 48 55.265 12.901 -2.040 1.00 0.00 C +ATOM 741 O LEU A 48 54.301 12.849 -1.302 1.00 0.00 O +ATOM 742 CB LEU A 48 56.572 10.779 -1.696 1.00 0.00 C +ATOM 743 CG LEU A 48 56.074 9.333 -1.770 1.00 0.00 C +ATOM 744 CD1 LEU A 48 54.709 9.231 -1.090 1.00 0.00 C +ATOM 745 CD2 LEU A 48 55.948 8.904 -3.234 1.00 0.00 C +ATOM 746 H LEU A 48 57.654 11.788 -3.524 1.00 0.00 H +ATOM 747 HA LEU A 48 55.066 11.172 -3.098 1.00 0.00 H +ATOM 748 HB2 LEU A 48 57.525 10.811 -1.875 1.00 0.00 H +ATOM 749 HB3 LEU A 48 56.440 11.129 -0.801 1.00 0.00 H +ATOM 750 HG LEU A 48 56.707 8.752 -1.319 1.00 0.00 H +ATOM 751 HD11 LEU A 48 54.392 8.315 -1.136 1.00 0.00 H +ATOM 752 HD12 LEU A 48 54.789 9.499 -0.161 1.00 0.00 H +ATOM 753 HD13 LEU A 48 54.078 9.814 -1.541 1.00 0.00 H +ATOM 754 HD21 LEU A 48 55.632 7.988 -3.277 1.00 0.00 H +ATOM 755 HD22 LEU A 48 55.317 9.484 -3.688 1.00 0.00 H +ATOM 756 HD23 LEU A 48 56.814 8.968 -3.666 1.00 0.00 H +ATOM 757 N GLY A 49 55.866 14.032 -2.292 1.00 0.00 N +ATOM 758 CA GLY A 49 55.374 15.292 -1.670 1.00 0.00 C +ATOM 759 C GLY A 49 56.242 15.642 -0.460 1.00 0.00 C +ATOM 760 O GLY A 49 55.825 16.359 0.429 1.00 0.00 O +ATOM 761 H GLY A 49 56.550 14.120 -2.806 1.00 0.00 H +ATOM 762 HA2 GLY A 49 55.399 16.014 -2.317 1.00 0.00 H +ATOM 763 HA3 GLY A 49 54.449 15.189 -1.397 1.00 0.00 H +ATOM 764 N GLN A 50 57.447 15.143 -0.417 1.00 0.00 N +ATOM 765 CA GLN A 50 58.339 15.449 0.738 1.00 0.00 C +ATOM 766 C GLN A 50 59.808 15.407 0.301 1.00 0.00 C +ATOM 767 O GLN A 50 60.115 15.410 -0.875 1.00 0.00 O +ATOM 768 CB GLN A 50 58.051 14.351 1.763 1.00 0.00 C +ATOM 769 CG GLN A 50 57.076 14.883 2.816 1.00 0.00 C +ATOM 770 CD GLN A 50 55.647 14.491 2.435 1.00 0.00 C +ATOM 771 OE1 GLN A 50 55.437 13.524 1.731 1.00 0.00 O +ATOM 772 NE2 GLN A 50 54.648 15.207 2.875 1.00 0.00 N +ATOM 773 H GLN A 50 57.789 14.632 -1.019 1.00 0.00 H +ATOM 774 HA GLN A 50 58.179 16.334 1.101 1.00 0.00 H +ATOM 775 HB2 GLN A 50 57.674 13.574 1.322 1.00 0.00 H +ATOM 776 HB3 GLN A 50 58.876 14.065 2.186 1.00 0.00 H +ATOM 777 HG2 GLN A 50 57.299 14.522 3.688 1.00 0.00 H +ATOM 778 HG3 GLN A 50 57.150 15.848 2.881 1.00 0.00 H +ATOM 779 HE21 GLN A 50 54.797 15.892 3.374 1.00 0.00 H +ATOM 780 HE22 GLN A 50 53.841 14.994 2.666 1.00 0.00 H +ATOM 781 N ASN A 51 60.716 15.366 1.238 1.00 0.00 N +ATOM 782 CA ASN A 51 62.163 15.323 0.873 1.00 0.00 C +ATOM 783 C ASN A 51 63.024 15.239 2.136 1.00 0.00 C +ATOM 784 O ASN A 51 63.491 16.242 2.639 1.00 0.00 O +ATOM 785 CB ASN A 51 62.424 16.634 0.130 1.00 0.00 C +ATOM 786 CG ASN A 51 63.227 16.349 -1.141 1.00 0.00 C +ATOM 787 OD1 ASN A 51 62.912 15.437 -1.881 1.00 0.00 O +ATOM 788 ND2 ASN A 51 64.257 17.096 -1.430 1.00 0.00 N +ATOM 789 H ASN A 51 60.551 15.361 2.082 1.00 0.00 H +ATOM 790 HA ASN A 51 62.383 14.550 0.330 1.00 0.00 H +ATOM 791 HB2 ASN A 51 61.583 17.062 -0.096 1.00 0.00 H +ATOM 792 HB3 ASN A 51 62.911 17.249 0.701 1.00 0.00 H +ATOM 793 HD21 ASN A 51 64.712 16.943 -2.143 1.00 0.00 H +ATOM 794 HD22 ASN A 51 64.480 17.741 -0.907 1.00 0.00 H +ATOM 795 N PRO A 52 63.205 14.035 2.607 1.00 0.00 N +ATOM 796 CA PRO A 52 64.018 13.804 3.826 1.00 0.00 C +ATOM 797 C PRO A 52 65.510 13.960 3.513 1.00 0.00 C +ATOM 798 O PRO A 52 65.933 13.842 2.380 1.00 0.00 O +ATOM 799 CB PRO A 52 63.694 12.363 4.205 1.00 0.00 C +ATOM 800 CG PRO A 52 63.263 11.711 2.929 1.00 0.00 C +ATOM 801 CD PRO A 52 62.673 12.787 2.051 1.00 0.00 C +ATOM 802 HA PRO A 52 63.823 14.433 4.538 1.00 0.00 H +ATOM 803 HB2 PRO A 52 64.468 11.917 4.583 1.00 0.00 H +ATOM 804 HB3 PRO A 52 62.991 12.325 4.873 1.00 0.00 H +ATOM 805 HG2 PRO A 52 64.017 11.287 2.490 1.00 0.00 H +ATOM 806 HG3 PRO A 52 62.609 11.016 3.104 1.00 0.00 H +ATOM 807 HD2 PRO A 52 62.935 12.672 1.124 1.00 0.00 H +ATOM 808 HD3 PRO A 52 61.703 12.773 2.076 1.00 0.00 H +ATOM 809 N THR A 53 66.310 14.221 4.512 1.00 0.00 N +ATOM 810 CA THR A 53 67.773 14.381 4.275 1.00 0.00 C +ATOM 811 C THR A 53 68.454 13.009 4.245 1.00 0.00 C +ATOM 812 O THR A 53 67.851 12.009 4.577 1.00 0.00 O +ATOM 813 CB THR A 53 68.277 15.204 5.463 1.00 0.00 C +ATOM 814 OG1 THR A 53 67.456 14.950 6.594 1.00 0.00 O +ATOM 815 CG2 THR A 53 68.225 16.692 5.115 1.00 0.00 C +ATOM 816 H THR A 53 66.060 14.313 5.330 1.00 0.00 H +ATOM 817 HA THR A 53 67.965 14.812 3.427 1.00 0.00 H +ATOM 818 HB THR A 53 69.192 14.954 5.665 1.00 0.00 H +ATOM 819 HG1 THR A 53 67.643 15.496 7.204 1.00 0.00 H +ATOM 820 HG21 THR A 53 68.545 17.212 5.869 1.00 0.00 H +ATOM 821 HG22 THR A 53 68.786 16.864 4.343 1.00 0.00 H +ATOM 822 HG23 THR A 53 67.311 16.945 4.912 1.00 0.00 H +ATOM 823 N PRO A 54 69.698 13.011 3.845 1.00 0.00 N +ATOM 824 CA PRO A 54 70.475 11.750 3.768 1.00 0.00 C +ATOM 825 C PRO A 54 70.829 11.256 5.174 1.00 0.00 C +ATOM 826 O PRO A 54 71.040 10.079 5.394 1.00 0.00 O +ATOM 827 CB PRO A 54 71.730 12.150 2.997 1.00 0.00 C +ATOM 828 CG PRO A 54 71.875 13.620 3.229 1.00 0.00 C +ATOM 829 CD PRO A 54 70.488 14.175 3.431 1.00 0.00 C +ATOM 830 HA PRO A 54 69.990 11.026 3.342 1.00 0.00 H +ATOM 831 HB2 PRO A 54 72.508 11.666 3.316 1.00 0.00 H +ATOM 832 HB3 PRO A 54 71.640 11.951 2.052 1.00 0.00 H +ATOM 833 HG2 PRO A 54 72.429 13.791 4.006 1.00 0.00 H +ATOM 834 HG3 PRO A 54 72.308 14.046 2.472 1.00 0.00 H +ATOM 835 HD2 PRO A 54 70.478 14.870 4.108 1.00 0.00 H +ATOM 836 HD3 PRO A 54 70.140 14.569 2.615 1.00 0.00 H +ATOM 837 N GLU A 55 70.896 12.143 6.127 1.00 0.00 N +ATOM 838 CA GLU A 55 71.234 11.721 7.516 1.00 0.00 C +ATOM 839 C GLU A 55 70.018 11.072 8.182 1.00 0.00 C +ATOM 840 O GLU A 55 70.144 10.157 8.971 1.00 0.00 O +ATOM 841 CB GLU A 55 71.622 13.009 8.242 1.00 0.00 C +ATOM 842 CG GLU A 55 72.898 12.773 9.054 1.00 0.00 C +ATOM 843 CD GLU A 55 72.543 12.092 10.377 1.00 0.00 C +ATOM 844 OE1 GLU A 55 71.969 11.017 10.332 1.00 0.00 O +ATOM 845 OE2 GLU A 55 72.853 12.657 11.412 1.00 0.00 O +ATOM 846 H GLU A 55 70.757 12.985 6.024 1.00 0.00 H +ATOM 847 HA GLU A 55 71.950 11.066 7.536 1.00 0.00 H +ATOM 848 HB2 GLU A 55 71.763 13.723 7.601 1.00 0.00 H +ATOM 849 HB3 GLU A 55 70.902 13.291 8.828 1.00 0.00 H +ATOM 850 HG2 GLU A 55 73.516 12.220 8.550 1.00 0.00 H +ATOM 851 HG3 GLU A 55 73.346 13.617 9.223 1.00 0.00 H +ATOM 852 N GLU A 56 68.839 11.538 7.870 1.00 0.00 N +ATOM 853 CA GLU A 56 67.618 10.944 8.486 1.00 0.00 C +ATOM 854 C GLU A 56 67.093 9.797 7.619 1.00 0.00 C +ATOM 855 O GLU A 56 66.590 8.810 8.117 1.00 0.00 O +ATOM 856 CB GLU A 56 66.603 12.086 8.540 1.00 0.00 C +ATOM 857 CG GLU A 56 65.897 12.076 9.898 1.00 0.00 C +ATOM 858 CD GLU A 56 65.661 13.515 10.361 1.00 0.00 C +ATOM 859 OE1 GLU A 56 66.633 14.238 10.502 1.00 0.00 O +ATOM 860 OE2 GLU A 56 64.512 13.868 10.568 1.00 0.00 O +ATOM 861 H GLU A 56 68.695 12.183 7.319 1.00 0.00 H +ATOM 862 HA GLU A 56 67.793 10.575 9.366 1.00 0.00 H +ATOM 863 HB2 GLU A 56 67.050 12.936 8.403 1.00 0.00 H +ATOM 864 HB3 GLU A 56 65.954 11.989 7.826 1.00 0.00 H +ATOM 865 HG2 GLU A 56 65.052 11.605 9.830 1.00 0.00 H +ATOM 866 HG3 GLU A 56 66.435 11.600 10.550 1.00 0.00 H +ATOM 867 N LEU A 57 67.208 9.918 6.323 1.00 0.00 N +ATOM 868 CA LEU A 57 66.718 8.830 5.427 1.00 0.00 C +ATOM 869 C LEU A 57 67.118 7.468 5.995 1.00 0.00 C +ATOM 870 O LEU A 57 66.366 6.514 5.941 1.00 0.00 O +ATOM 871 CB LEU A 57 67.415 9.073 4.088 1.00 0.00 C +ATOM 872 CG LEU A 57 66.492 9.871 3.166 1.00 0.00 C +ATOM 873 CD1 LEU A 57 67.333 10.655 2.157 1.00 0.00 C +ATOM 874 CD2 LEU A 57 65.567 8.909 2.416 1.00 0.00 C +ATOM 875 H LEU A 57 67.555 10.595 5.922 1.00 0.00 H +ATOM 876 HA LEU A 57 65.752 8.833 5.338 1.00 0.00 H +ATOM 877 HB2 LEU A 57 68.244 9.556 4.228 1.00 0.00 H +ATOM 878 HB3 LEU A 57 67.646 8.226 3.675 1.00 0.00 H +ATOM 879 HG LEU A 57 65.961 10.487 3.694 1.00 0.00 H +ATOM 880 HD11 LEU A 57 66.748 11.161 1.572 1.00 0.00 H +ATOM 881 HD12 LEU A 57 67.922 11.263 2.630 1.00 0.00 H +ATOM 882 HD13 LEU A 57 67.863 10.038 1.628 1.00 0.00 H +ATOM 883 HD21 LEU A 57 64.981 9.414 1.831 1.00 0.00 H +ATOM 884 HD22 LEU A 57 66.099 8.294 1.888 1.00 0.00 H +ATOM 885 HD23 LEU A 57 65.034 8.409 3.054 1.00 0.00 H +ATOM 886 N GLN A 58 68.300 7.370 6.541 1.00 0.00 N +ATOM 887 CA GLN A 58 68.752 6.072 7.116 1.00 0.00 C +ATOM 888 C GLN A 58 67.642 5.462 7.976 1.00 0.00 C +ATOM 889 O GLN A 58 67.521 4.259 8.092 1.00 0.00 O +ATOM 890 CB GLN A 58 69.969 6.426 7.971 1.00 0.00 C +ATOM 891 CG GLN A 58 71.093 5.422 7.708 1.00 0.00 C +ATOM 892 CD GLN A 58 70.762 4.092 8.386 1.00 0.00 C +ATOM 893 OE1 GLN A 58 70.015 4.055 9.345 1.00 0.00 O +ATOM 894 NE2 GLN A 58 71.288 2.990 7.928 1.00 0.00 N +ATOM 895 H GLN A 58 68.867 8.014 6.602 1.00 0.00 H +ATOM 896 HA GLN A 58 68.968 5.418 6.433 1.00 0.00 H +ATOM 897 HB2 GLN A 58 70.271 7.324 7.764 1.00 0.00 H +ATOM 898 HB3 GLN A 58 69.729 6.417 8.911 1.00 0.00 H +ATOM 899 HG2 GLN A 58 71.204 5.290 6.753 1.00 0.00 H +ATOM 900 HG3 GLN A 58 71.934 5.768 8.047 1.00 0.00 H +ATOM 901 HE21 GLN A 58 71.816 3.015 7.250 1.00 0.00 H +ATOM 902 HE22 GLN A 58 71.106 2.238 8.304 1.00 0.00 H +ATOM 903 N GLU A 59 66.825 6.285 8.578 1.00 0.00 N +ATOM 904 CA GLU A 59 65.719 5.751 9.424 1.00 0.00 C +ATOM 905 C GLU A 59 64.831 4.822 8.594 1.00 0.00 C +ATOM 906 O GLU A 59 64.433 3.764 9.040 1.00 0.00 O +ATOM 907 CB GLU A 59 64.934 6.984 9.875 1.00 0.00 C +ATOM 908 CG GLU A 59 63.806 6.556 10.816 1.00 0.00 C +ATOM 909 CD GLU A 59 63.911 7.335 12.128 1.00 0.00 C +ATOM 910 OE1 GLU A 59 64.649 8.307 12.159 1.00 0.00 O +ATOM 911 OE2 GLU A 59 63.252 6.948 13.078 1.00 0.00 O +ATOM 912 H GLU A 59 66.868 7.143 8.529 1.00 0.00 H +ATOM 913 HA GLU A 59 66.045 5.236 10.178 1.00 0.00 H +ATOM 914 HB2 GLU A 59 65.524 7.608 10.325 1.00 0.00 H +ATOM 915 HB3 GLU A 59 64.568 7.446 9.105 1.00 0.00 H +ATOM 916 HG2 GLU A 59 62.945 6.720 10.400 1.00 0.00 H +ATOM 917 HG3 GLU A 59 63.861 5.603 10.989 1.00 0.00 H +ATOM 918 N MET A 60 64.524 5.208 7.386 1.00 0.00 N +ATOM 919 CA MET A 60 63.669 4.346 6.521 1.00 0.00 C +ATOM 920 C MET A 60 64.384 3.024 6.236 1.00 0.00 C +ATOM 921 O MET A 60 63.767 2.025 5.923 1.00 0.00 O +ATOM 922 CB MET A 60 63.484 5.142 5.230 1.00 0.00 C +ATOM 923 CG MET A 60 62.183 5.943 5.300 1.00 0.00 C +ATOM 924 SD MET A 60 61.491 6.114 3.636 1.00 0.00 S +ATOM 925 CE MET A 60 60.986 7.846 3.776 1.00 0.00 C +ATOM 926 H MET A 60 64.781 5.946 7.027 1.00 0.00 H +ATOM 927 HA MET A 60 62.820 4.129 6.937 1.00 0.00 H +ATOM 928 HB2 MET A 60 64.236 5.741 5.098 1.00 0.00 H +ATOM 929 HB3 MET A 60 63.463 4.541 4.469 1.00 0.00 H +ATOM 930 HG2 MET A 60 61.547 5.496 5.881 1.00 0.00 H +ATOM 931 HG3 MET A 60 62.351 6.818 5.683 1.00 0.00 H +ATOM 932 HE1 MET A 60 60.576 8.132 2.945 1.00 0.00 H +ATOM 933 HE2 MET A 60 60.348 7.940 4.500 1.00 0.00 H +ATOM 934 HE3 MET A 60 61.764 8.396 3.958 1.00 0.00 H +ATOM 935 N ILE A 61 65.686 3.014 6.339 1.00 0.00 N +ATOM 936 CA ILE A 61 66.448 1.761 6.071 1.00 0.00 C +ATOM 937 C ILE A 61 66.754 1.027 7.380 1.00 0.00 C +ATOM 938 O ILE A 61 66.656 -0.180 7.462 1.00 0.00 O +ATOM 939 CB ILE A 61 67.742 2.227 5.404 1.00 0.00 C +ATOM 940 CG1 ILE A 61 67.431 2.731 3.993 1.00 0.00 C +ATOM 941 CG2 ILE A 61 68.727 1.060 5.324 1.00 0.00 C +ATOM 942 CD1 ILE A 61 67.087 4.220 4.047 1.00 0.00 C +ATOM 943 H ILE A 61 66.166 3.694 6.557 1.00 0.00 H +ATOM 944 HA ILE A 61 65.950 1.141 5.515 1.00 0.00 H +ATOM 945 HB ILE A 61 68.136 2.944 5.926 1.00 0.00 H +ATOM 946 HG12 ILE A 61 68.194 2.586 3.412 1.00 0.00 H +ATOM 947 HG13 ILE A 61 66.690 2.231 3.617 1.00 0.00 H +ATOM 948 HG21 ILE A 61 69.547 1.357 4.901 1.00 0.00 H +ATOM 949 HG22 ILE A 61 68.923 0.740 6.218 1.00 0.00 H +ATOM 950 HG23 ILE A 61 68.336 0.342 4.802 1.00 0.00 H +ATOM 951 HD11 ILE A 61 66.890 4.539 3.153 1.00 0.00 H +ATOM 952 HD12 ILE A 61 66.312 4.353 4.615 1.00 0.00 H +ATOM 953 HD13 ILE A 61 67.840 4.713 4.407 1.00 0.00 H +ATOM 954 N ASP A 62 67.129 1.747 8.403 1.00 0.00 N +ATOM 955 CA ASP A 62 67.447 1.089 9.705 1.00 0.00 C +ATOM 956 C ASP A 62 66.180 0.512 10.342 1.00 0.00 C +ATOM 957 O ASP A 62 66.245 -0.292 11.250 1.00 0.00 O +ATOM 958 CB ASP A 62 68.025 2.203 10.580 1.00 0.00 C +ATOM 959 CG ASP A 62 68.049 1.744 12.039 1.00 0.00 C +ATOM 960 OD1 ASP A 62 68.246 0.561 12.264 1.00 0.00 O +ATOM 961 OD2 ASP A 62 67.873 2.584 12.906 1.00 0.00 O +ATOM 962 H ASP A 62 67.213 2.603 8.396 1.00 0.00 H +ATOM 963 HA ASP A 62 68.066 0.350 9.597 1.00 0.00 H +ATOM 964 HB2 ASP A 62 68.922 2.426 10.286 1.00 0.00 H +ATOM 965 HB3 ASP A 62 67.490 3.007 10.492 1.00 0.00 H +ATOM 966 N GLU A 63 65.030 0.914 9.878 1.00 0.00 N +ATOM 967 CA GLU A 63 63.766 0.384 10.467 1.00 0.00 C +ATOM 968 C GLU A 63 63.565 -1.082 10.069 1.00 0.00 C +ATOM 969 O GLU A 63 62.795 -1.798 10.677 1.00 0.00 O +ATOM 970 CB GLU A 63 62.658 1.255 9.875 1.00 0.00 C +ATOM 971 CG GLU A 63 62.307 2.373 10.860 1.00 0.00 C +ATOM 972 CD GLU A 63 61.106 3.159 10.332 1.00 0.00 C +ATOM 973 OE1 GLU A 63 61.265 3.848 9.338 1.00 0.00 O +ATOM 974 OE2 GLU A 63 60.048 3.060 10.932 1.00 0.00 O +ATOM 975 H GLU A 63 64.928 1.479 9.238 1.00 0.00 H +ATOM 976 HA GLU A 63 63.774 0.413 11.437 1.00 0.00 H +ATOM 977 HB2 GLU A 63 62.948 1.634 9.030 1.00 0.00 H +ATOM 978 HB3 GLU A 63 61.873 0.716 9.690 1.00 0.00 H +ATOM 979 HG2 GLU A 63 62.103 1.998 11.731 1.00 0.00 H +ATOM 980 HG3 GLU A 63 63.067 2.964 10.977 1.00 0.00 H +ATOM 981 N VAL A 64 64.249 -1.531 9.053 1.00 0.00 N +ATOM 982 CA VAL A 64 64.091 -2.949 8.619 1.00 0.00 C +ATOM 983 C VAL A 64 65.445 -3.530 8.195 1.00 0.00 C +ATOM 984 O VAL A 64 65.531 -4.311 7.267 1.00 0.00 O +ATOM 985 CB VAL A 64 63.134 -2.893 7.428 1.00 0.00 C +ATOM 986 CG1 VAL A 64 61.787 -2.328 7.881 1.00 0.00 C +ATOM 987 CG2 VAL A 64 63.725 -1.991 6.343 1.00 0.00 C +ATOM 988 H VAL A 64 64.806 -1.066 8.591 1.00 0.00 H +ATOM 989 HA VAL A 64 63.753 -3.515 9.330 1.00 0.00 H +ATOM 990 HB VAL A 64 63.007 -3.787 7.073 1.00 0.00 H +ATOM 991 HG11 VAL A 64 61.180 -2.293 7.125 1.00 0.00 H +ATOM 992 HG12 VAL A 64 61.412 -2.898 8.570 1.00 0.00 H +ATOM 993 HG13 VAL A 64 61.914 -1.434 8.236 1.00 0.00 H +ATOM 994 HG21 VAL A 64 63.119 -1.955 5.587 1.00 0.00 H +ATOM 995 HG22 VAL A 64 63.852 -1.097 6.698 1.00 0.00 H +ATOM 996 HG23 VAL A 64 64.580 -2.348 6.055 1.00 0.00 H +ATOM 997 N ASP A 65 66.501 -3.157 8.864 1.00 0.00 N +ATOM 998 CA ASP A 65 67.845 -3.690 8.496 1.00 0.00 C +ATOM 999 C ASP A 65 68.264 -4.789 9.475 1.00 0.00 C +ATOM 1000 O ASP A 65 68.938 -4.537 10.454 1.00 0.00 O +ATOM 1001 CB ASP A 65 68.789 -2.492 8.597 1.00 0.00 C +ATOM 1002 CG ASP A 65 70.164 -2.879 8.051 1.00 0.00 C +ATOM 1003 OD1 ASP A 65 70.908 -3.520 8.774 1.00 0.00 O +ATOM 1004 OD2 ASP A 65 70.450 -2.527 6.919 1.00 0.00 O +ATOM 1005 H ASP A 65 66.494 -2.608 9.526 1.00 0.00 H +ATOM 1006 HA ASP A 65 67.854 -4.084 7.609 1.00 0.00 H +ATOM 1007 HB2 ASP A 65 68.431 -1.742 8.096 1.00 0.00 H +ATOM 1008 HB3 ASP A 65 68.866 -2.205 9.521 1.00 0.00 H +ATOM 1009 N GLU A 66 67.871 -6.007 9.219 1.00 0.00 N +ATOM 1010 CA GLU A 66 68.248 -7.122 10.135 1.00 0.00 C +ATOM 1011 C GLU A 66 69.478 -7.856 9.597 1.00 0.00 C +ATOM 1012 O GLU A 66 69.734 -8.993 9.942 1.00 0.00 O +ATOM 1013 CB GLU A 66 67.033 -8.050 10.149 1.00 0.00 C +ATOM 1014 CG GLU A 66 66.836 -8.655 8.758 1.00 0.00 C +ATOM 1015 CD GLU A 66 65.341 -8.737 8.444 1.00 0.00 C +ATOM 1016 OE1 GLU A 66 64.566 -8.861 9.378 1.00 0.00 O +ATOM 1017 OE2 GLU A 66 64.997 -8.674 7.276 1.00 0.00 O +ATOM 1018 H GLU A 66 67.394 -6.236 8.541 1.00 0.00 H +ATOM 1019 HA GLU A 66 68.474 -6.807 11.024 1.00 0.00 H +ATOM 1020 HB2 GLU A 66 67.160 -8.755 10.804 1.00 0.00 H +ATOM 1021 HB3 GLU A 66 66.240 -7.557 10.413 1.00 0.00 H +ATOM 1022 HG2 GLU A 66 67.287 -8.113 8.092 1.00 0.00 H +ATOM 1023 HG3 GLU A 66 67.233 -9.539 8.720 1.00 0.00 H +ATOM 1024 N ASP A 67 70.242 -7.217 8.754 1.00 0.00 N +ATOM 1025 CA ASP A 67 71.454 -7.883 8.196 1.00 0.00 C +ATOM 1026 C ASP A 67 72.689 -7.006 8.422 1.00 0.00 C +ATOM 1027 O ASP A 67 73.804 -7.408 8.160 1.00 0.00 O +ATOM 1028 CB ASP A 67 71.170 -8.037 6.702 1.00 0.00 C +ATOM 1029 CG ASP A 67 70.976 -6.656 6.072 1.00 0.00 C +ATOM 1030 OD1 ASP A 67 70.519 -5.768 6.771 1.00 0.00 O +ATOM 1031 OD2 ASP A 67 71.287 -6.512 4.901 1.00 0.00 O +ATOM 1032 H ASP A 67 70.106 -6.414 8.479 1.00 0.00 H +ATOM 1033 HA ASP A 67 71.633 -8.737 8.620 1.00 0.00 H +ATOM 1034 HB2 ASP A 67 71.905 -8.500 6.270 1.00 0.00 H +ATOM 1035 HB3 ASP A 67 70.376 -8.578 6.568 1.00 0.00 H +ATOM 1036 N GLY A 68 72.497 -5.812 8.912 1.00 0.00 N +ATOM 1037 CA GLY A 68 73.659 -4.912 9.158 1.00 0.00 C +ATOM 1038 C GLY A 68 74.378 -4.628 7.839 1.00 0.00 C +ATOM 1039 O GLY A 68 75.589 -4.680 7.757 1.00 0.00 O +ATOM 1040 H GLY A 68 71.729 -5.482 9.115 1.00 0.00 H +ATOM 1041 HA2 GLY A 68 73.357 -4.081 9.558 1.00 0.00 H +ATOM 1042 HA3 GLY A 68 74.271 -5.324 9.788 1.00 0.00 H +ATOM 1043 N SER A 69 73.643 -4.323 6.804 1.00 0.00 N +ATOM 1044 CA SER A 69 74.289 -4.032 5.492 1.00 0.00 C +ATOM 1045 C SER A 69 74.176 -2.539 5.169 1.00 0.00 C +ATOM 1046 O SER A 69 75.026 -1.969 4.515 1.00 0.00 O +ATOM 1047 CB SER A 69 73.510 -4.861 4.472 1.00 0.00 C +ATOM 1048 OG SER A 69 72.292 -4.199 4.159 1.00 0.00 O +ATOM 1049 H SER A 69 72.785 -4.272 6.809 1.00 0.00 H +ATOM 1050 HA SER A 69 75.234 -4.252 5.491 1.00 0.00 H +ATOM 1051 HB2 SER A 69 74.039 -4.984 3.668 1.00 0.00 H +ATOM 1052 HB3 SER A 69 73.327 -5.744 4.829 1.00 0.00 H +ATOM 1053 HG SER A 69 71.646 -4.714 4.310 1.00 0.00 H +ATOM 1054 N GLY A 70 73.133 -1.903 5.628 1.00 0.00 N +ATOM 1055 CA GLY A 70 72.967 -0.447 5.351 1.00 0.00 C +ATOM 1056 C GLY A 70 71.957 -0.252 4.219 1.00 0.00 C +ATOM 1057 O GLY A 70 71.202 0.701 4.206 1.00 0.00 O +ATOM 1058 H GLY A 70 72.506 -2.261 6.095 1.00 0.00 H +ATOM 1059 HA2 GLY A 70 72.663 0.011 6.150 1.00 0.00 H +ATOM 1060 HA3 GLY A 70 73.820 -0.056 5.107 1.00 0.00 H +ATOM 1061 N THR A 71 71.936 -1.144 3.267 1.00 0.00 N +ATOM 1062 CA THR A 71 70.973 -1.003 2.137 1.00 0.00 C +ATOM 1063 C THR A 71 69.773 -1.934 2.343 1.00 0.00 C +ATOM 1064 O THR A 71 69.864 -2.942 3.015 1.00 0.00 O +ATOM 1065 CB THR A 71 71.760 -1.407 0.890 1.00 0.00 C +ATOM 1066 OG1 THR A 71 72.318 -2.700 1.082 1.00 0.00 O +ATOM 1067 CG2 THR A 71 72.882 -0.396 0.643 1.00 0.00 C +ATOM 1068 H THR A 71 72.447 -1.834 3.229 1.00 0.00 H +ATOM 1069 HA THR A 71 70.621 -0.102 2.066 1.00 0.00 H +ATOM 1070 HB THR A 71 71.166 -1.422 0.123 1.00 0.00 H +ATOM 1071 HG1 THR A 71 71.842 -3.134 1.621 1.00 0.00 H +ATOM 1072 HG21 THR A 71 73.381 -0.653 -0.148 1.00 0.00 H +ATOM 1073 HG22 THR A 71 72.500 0.486 0.512 1.00 0.00 H +ATOM 1074 HG23 THR A 71 73.477 -0.379 1.409 1.00 0.00 H +ATOM 1075 N VAL A 72 68.649 -1.600 1.770 1.00 0.00 N +ATOM 1076 CA VAL A 72 67.444 -2.462 1.933 1.00 0.00 C +ATOM 1077 C VAL A 72 67.256 -3.353 0.701 1.00 0.00 C +ATOM 1078 O VAL A 72 67.735 -3.051 -0.374 1.00 0.00 O +ATOM 1079 CB VAL A 72 66.276 -1.485 2.074 1.00 0.00 C +ATOM 1080 CG1 VAL A 72 64.957 -2.228 1.860 1.00 0.00 C +ATOM 1081 CG2 VAL A 72 66.293 -0.875 3.477 1.00 0.00 C +ATOM 1082 H VAL A 72 68.534 -0.898 1.286 1.00 0.00 H +ATOM 1083 HA VAL A 72 67.517 -3.054 2.698 1.00 0.00 H +ATOM 1084 HB VAL A 72 66.361 -0.782 1.411 1.00 0.00 H +ATOM 1085 HG11 VAL A 72 64.217 -1.607 1.950 1.00 0.00 H +ATOM 1086 HG12 VAL A 72 64.945 -2.618 0.972 1.00 0.00 H +ATOM 1087 HG13 VAL A 72 64.870 -2.931 2.522 1.00 0.00 H +ATOM 1088 HG21 VAL A 72 65.553 -0.255 3.569 1.00 0.00 H +ATOM 1089 HG22 VAL A 72 66.208 -1.580 4.138 1.00 0.00 H +ATOM 1090 HG23 VAL A 72 67.129 -0.403 3.615 1.00 0.00 H +ATOM 1091 N ASP A 73 66.564 -4.449 0.851 1.00 0.00 N +ATOM 1092 CA ASP A 73 66.347 -5.361 -0.309 1.00 0.00 C +ATOM 1093 C ASP A 73 64.915 -5.900 -0.299 1.00 0.00 C +ATOM 1094 O ASP A 73 64.135 -5.603 0.584 1.00 0.00 O +ATOM 1095 CB ASP A 73 67.349 -6.499 -0.108 1.00 0.00 C +ATOM 1096 CG ASP A 73 67.695 -7.122 -1.461 1.00 0.00 C +ATOM 1097 OD1 ASP A 73 66.822 -7.169 -2.312 1.00 0.00 O +ATOM 1098 OD2 ASP A 73 68.829 -7.543 -1.624 1.00 0.00 O +ATOM 1099 H ASP A 73 66.206 -4.705 1.590 1.00 0.00 H +ATOM 1100 HA ASP A 73 66.473 -4.911 -1.159 1.00 0.00 H +ATOM 1101 HB2 ASP A 73 68.153 -6.163 0.319 1.00 0.00 H +ATOM 1102 HB3 ASP A 73 66.974 -7.172 0.482 1.00 0.00 H +ATOM 1103 N PHE A 74 64.563 -6.695 -1.274 1.00 0.00 N +ATOM 1104 CA PHE A 74 63.182 -7.257 -1.316 1.00 0.00 C +ATOM 1105 C PHE A 74 62.835 -7.880 0.038 1.00 0.00 C +ATOM 1106 O PHE A 74 61.682 -8.053 0.377 1.00 0.00 O +ATOM 1107 CB PHE A 74 63.226 -8.334 -2.401 1.00 0.00 C +ATOM 1108 CG PHE A 74 62.353 -7.928 -3.565 1.00 0.00 C +ATOM 1109 CD1 PHE A 74 61.139 -7.267 -3.336 1.00 0.00 C +ATOM 1110 CD2 PHE A 74 62.758 -8.213 -4.874 1.00 0.00 C +ATOM 1111 CE1 PHE A 74 60.331 -6.893 -4.416 1.00 0.00 C +ATOM 1112 CE2 PHE A 74 61.949 -7.840 -5.954 1.00 0.00 C +ATOM 1113 CZ PHE A 74 60.737 -7.179 -5.726 1.00 0.00 C +ATOM 1114 H PHE A 74 65.076 -6.935 -1.922 1.00 0.00 H +ATOM 1115 HA PHE A 74 62.512 -6.581 -1.503 1.00 0.00 H +ATOM 1116 HB2 PHE A 74 64.139 -8.464 -2.701 1.00 0.00 H +ATOM 1117 HB3 PHE A 74 62.923 -9.181 -2.039 1.00 0.00 H +ATOM 1118 HD1 PHE A 74 60.870 -7.077 -2.466 1.00 0.00 H +ATOM 1119 HD2 PHE A 74 63.565 -8.650 -5.026 1.00 0.00 H +ATOM 1120 HE1 PHE A 74 59.525 -6.455 -4.264 1.00 0.00 H +ATOM 1121 HE2 PHE A 74 62.217 -8.032 -6.824 1.00 0.00 H +ATOM 1122 HZ PHE A 74 60.201 -6.930 -6.444 1.00 0.00 H +ATOM 1123 N ASP A 75 63.830 -8.221 0.811 1.00 0.00 N +ATOM 1124 CA ASP A 75 63.565 -8.838 2.142 1.00 0.00 C +ATOM 1125 C ASP A 75 63.221 -7.759 3.172 1.00 0.00 C +ATOM 1126 O ASP A 75 62.196 -7.812 3.823 1.00 0.00 O +ATOM 1127 CB ASP A 75 64.869 -9.542 2.517 1.00 0.00 C +ATOM 1128 CG ASP A 75 64.678 -10.309 3.826 1.00 0.00 C +ATOM 1129 OD1 ASP A 75 64.502 -9.665 4.847 1.00 0.00 O +ATOM 1130 OD2 ASP A 75 64.712 -11.529 3.786 1.00 0.00 O +ATOM 1131 H ASP A 75 64.661 -8.118 0.615 1.00 0.00 H +ATOM 1132 HA ASP A 75 62.814 -9.451 2.118 1.00 0.00 H +ATOM 1133 HB2 ASP A 75 65.134 -10.151 1.810 1.00 0.00 H +ATOM 1134 HB3 ASP A 75 65.582 -8.892 2.613 1.00 0.00 H +ATOM 1135 N GLU A 76 64.071 -6.780 3.327 1.00 0.00 N +ATOM 1136 CA GLU A 76 63.792 -5.700 4.318 1.00 0.00 C +ATOM 1137 C GLU A 76 62.747 -4.729 3.762 1.00 0.00 C +ATOM 1138 O GLU A 76 61.900 -4.235 4.481 1.00 0.00 O +ATOM 1139 CB GLU A 76 65.131 -4.990 4.518 1.00 0.00 C +ATOM 1140 CG GLU A 76 66.163 -5.984 5.054 1.00 0.00 C +ATOM 1141 CD GLU A 76 67.572 -5.455 4.781 1.00 0.00 C +ATOM 1142 OE1 GLU A 76 67.783 -4.268 4.966 1.00 0.00 O +ATOM 1143 OE2 GLU A 76 68.416 -6.246 4.394 1.00 0.00 O +ATOM 1144 H GLU A 76 64.808 -6.697 2.892 1.00 0.00 H +ATOM 1145 HA GLU A 76 63.438 -6.048 5.151 1.00 0.00 H +ATOM 1146 HB2 GLU A 76 65.437 -4.614 3.678 1.00 0.00 H +ATOM 1147 HB3 GLU A 76 65.027 -4.252 5.138 1.00 0.00 H +ATOM 1148 HG2 GLU A 76 66.035 -6.115 6.007 1.00 0.00 H +ATOM 1149 HG3 GLU A 76 66.044 -6.848 4.630 1.00 0.00 H +ATOM 1150 N PHE A 77 62.801 -4.449 2.489 1.00 0.00 N +ATOM 1151 CA PHE A 77 61.812 -3.508 1.887 1.00 0.00 C +ATOM 1152 C PHE A 77 60.386 -4.033 2.089 1.00 0.00 C +ATOM 1153 O PHE A 77 59.511 -3.321 2.543 1.00 0.00 O +ATOM 1154 CB PHE A 77 62.168 -3.463 0.399 1.00 0.00 C +ATOM 1155 CG PHE A 77 61.009 -2.893 -0.386 1.00 0.00 C +ATOM 1156 CD1 PHE A 77 60.714 -1.527 -0.308 1.00 0.00 C +ATOM 1157 CD2 PHE A 77 60.233 -3.732 -1.194 1.00 0.00 C +ATOM 1158 CE1 PHE A 77 59.642 -0.999 -1.037 1.00 0.00 C +ATOM 1159 CE2 PHE A 77 59.161 -3.204 -1.924 1.00 0.00 C +ATOM 1160 CZ PHE A 77 58.866 -1.838 -1.847 1.00 0.00 C +ATOM 1161 H PHE A 77 63.380 -4.771 1.940 1.00 0.00 H +ATOM 1162 HA PHE A 77 61.844 -2.628 2.294 1.00 0.00 H +ATOM 1163 HB2 PHE A 77 62.960 -2.920 0.263 1.00 0.00 H +ATOM 1164 HB3 PHE A 77 62.378 -4.355 0.081 1.00 0.00 H +ATOM 1165 HD1 PHE A 77 61.230 -0.970 0.228 1.00 0.00 H +ATOM 1166 HD2 PHE A 77 60.429 -4.640 -1.246 1.00 0.00 H +ATOM 1167 HE1 PHE A 77 59.445 -0.092 -0.984 1.00 0.00 H +ATOM 1168 HE2 PHE A 77 58.645 -3.761 -2.460 1.00 0.00 H +ATOM 1169 HZ PHE A 77 58.155 -1.487 -2.333 1.00 0.00 H +ATOM 1170 N LEU A 78 60.145 -5.270 1.755 1.00 0.00 N +ATOM 1171 CA LEU A 78 58.773 -5.834 1.925 1.00 0.00 C +ATOM 1172 C LEU A 78 58.257 -5.560 3.340 1.00 0.00 C +ATOM 1173 O LEU A 78 57.203 -4.985 3.525 1.00 0.00 O +ATOM 1174 CB LEU A 78 58.931 -7.337 1.692 1.00 0.00 C +ATOM 1175 CG LEU A 78 58.396 -7.696 0.305 1.00 0.00 C +ATOM 1176 CD1 LEU A 78 58.691 -9.166 0.008 1.00 0.00 C +ATOM 1177 CD2 LEU A 78 56.883 -7.463 0.268 1.00 0.00 C +ATOM 1178 H LEU A 78 60.728 -5.814 1.432 1.00 0.00 H +ATOM 1179 HA LEU A 78 58.135 -5.437 1.312 1.00 0.00 H +ATOM 1180 HB2 LEU A 78 59.865 -7.589 1.764 1.00 0.00 H +ATOM 1181 HB3 LEU A 78 58.450 -7.832 2.373 1.00 0.00 H +ATOM 1182 HG LEU A 78 58.827 -7.139 -0.362 1.00 0.00 H +ATOM 1183 HD11 LEU A 78 58.351 -9.393 -0.872 1.00 0.00 H +ATOM 1184 HD12 LEU A 78 59.649 -9.315 0.033 1.00 0.00 H +ATOM 1185 HD13 LEU A 78 58.260 -9.724 0.674 1.00 0.00 H +ATOM 1186 HD21 LEU A 78 56.542 -7.690 -0.611 1.00 0.00 H +ATOM 1187 HD22 LEU A 78 56.453 -8.021 0.935 1.00 0.00 H +ATOM 1188 HD23 LEU A 78 56.694 -6.530 0.456 1.00 0.00 H +ATOM 1189 N VAL A 79 58.987 -5.971 4.339 1.00 0.00 N +ATOM 1190 CA VAL A 79 58.535 -5.734 5.740 1.00 0.00 C +ATOM 1191 C VAL A 79 58.193 -4.256 5.946 1.00 0.00 C +ATOM 1192 O VAL A 79 57.231 -3.917 6.605 1.00 0.00 O +ATOM 1193 CB VAL A 79 59.724 -6.134 6.611 1.00 0.00 C +ATOM 1194 CG1 VAL A 79 59.304 -6.126 8.082 1.00 0.00 C +ATOM 1195 CG2 VAL A 79 60.189 -7.540 6.224 1.00 0.00 C +ATOM 1196 H VAL A 79 59.737 -6.384 4.261 1.00 0.00 H +ATOM 1197 HA VAL A 79 57.737 -6.240 5.958 1.00 0.00 H +ATOM 1198 HB VAL A 79 60.449 -5.504 6.477 1.00 0.00 H +ATOM 1199 HG11 VAL A 79 60.059 -6.380 8.636 1.00 0.00 H +ATOM 1200 HG12 VAL A 79 59.007 -5.236 8.329 1.00 0.00 H +ATOM 1201 HG13 VAL A 79 58.579 -6.757 8.215 1.00 0.00 H +ATOM 1202 HG21 VAL A 79 60.944 -7.795 6.777 1.00 0.00 H +ATOM 1203 HG22 VAL A 79 59.463 -8.169 6.359 1.00 0.00 H +ATOM 1204 HG23 VAL A 79 60.454 -7.548 5.291 1.00 0.00 H +ATOM 1205 N MET A 80 58.977 -3.372 5.387 1.00 0.00 N +ATOM 1206 CA MET A 80 58.698 -1.917 5.554 1.00 0.00 C +ATOM 1207 C MET A 80 57.251 -1.603 5.164 1.00 0.00 C +ATOM 1208 O MET A 80 56.684 -0.616 5.589 1.00 0.00 O +ATOM 1209 CB MET A 80 59.671 -1.216 4.605 1.00 0.00 C +ATOM 1210 CG MET A 80 60.610 -0.315 5.408 1.00 0.00 C +ATOM 1211 SD MET A 80 60.393 1.403 4.881 1.00 0.00 S +ATOM 1212 CE MET A 80 60.857 1.171 3.147 1.00 0.00 C +ATOM 1213 H MET A 80 59.668 -3.560 4.911 1.00 0.00 H +ATOM 1214 HA MET A 80 58.811 -1.626 6.472 1.00 0.00 H +ATOM 1215 HB2 MET A 80 60.184 -1.873 4.109 1.00 0.00 H +ATOM 1216 HB3 MET A 80 59.180 -0.690 3.955 1.00 0.00 H +ATOM 1217 HG2 MET A 80 60.423 -0.399 6.356 1.00 0.00 H +ATOM 1218 HG3 MET A 80 61.531 -0.591 5.275 1.00 0.00 H +ATOM 1219 HE1 MET A 80 60.800 2.019 2.680 1.00 0.00 H +ATOM 1220 HE2 MET A 80 61.766 0.836 3.097 1.00 0.00 H +ATOM 1221 HE3 MET A 80 60.255 0.533 2.733 1.00 0.00 H +ATOM 1222 N MET A 81 56.648 -2.434 4.357 1.00 0.00 N +ATOM 1223 CA MET A 81 55.239 -2.177 3.941 1.00 0.00 C +ATOM 1224 C MET A 81 54.264 -2.792 4.950 1.00 0.00 C +ATOM 1225 O MET A 81 53.258 -2.204 5.292 1.00 0.00 O +ATOM 1226 CB MET A 81 55.097 -2.854 2.578 1.00 0.00 C +ATOM 1227 CG MET A 81 55.755 -1.985 1.504 1.00 0.00 C +ATOM 1228 SD MET A 81 54.919 -0.380 1.427 1.00 0.00 S +ATOM 1229 CE MET A 81 55.903 0.325 0.082 1.00 0.00 C +ATOM 1230 H MET A 81 57.003 -3.146 4.029 1.00 0.00 H +ATOM 1231 HA MET A 81 55.038 -1.229 3.898 1.00 0.00 H +ATOM 1232 HB2 MET A 81 55.512 -3.731 2.597 1.00 0.00 H +ATOM 1233 HB3 MET A 81 54.159 -2.988 2.369 1.00 0.00 H +ATOM 1234 HG2 MET A 81 56.695 -1.861 1.706 1.00 0.00 H +ATOM 1235 HG3 MET A 81 55.706 -2.427 0.642 1.00 0.00 H +ATOM 1236 HE1 MET A 81 55.591 1.223 -0.112 1.00 0.00 H +ATOM 1237 HE2 MET A 81 56.836 0.358 0.346 1.00 0.00 H +ATOM 1238 HE3 MET A 81 55.811 -0.227 -0.710 1.00 0.00 H +ATOM 1239 N VAL A 82 54.553 -3.971 5.428 1.00 0.00 N +ATOM 1240 CA VAL A 82 53.638 -4.619 6.414 1.00 0.00 C +ATOM 1241 C VAL A 82 53.564 -3.780 7.692 1.00 0.00 C +ATOM 1242 O VAL A 82 52.515 -3.621 8.282 1.00 0.00 O +ATOM 1243 CB VAL A 82 54.260 -5.985 6.706 1.00 0.00 C +ATOM 1244 CG1 VAL A 82 53.228 -6.875 7.401 1.00 0.00 C +ATOM 1245 CG2 VAL A 82 54.695 -6.641 5.394 1.00 0.00 C +ATOM 1246 H VAL A 82 55.251 -4.429 5.219 1.00 0.00 H +ATOM 1247 HA VAL A 82 52.733 -4.702 6.074 1.00 0.00 H +ATOM 1248 HB VAL A 82 55.032 -5.871 7.282 1.00 0.00 H +ATOM 1249 HG11 VAL A 82 53.621 -7.742 7.587 1.00 0.00 H +ATOM 1250 HG12 VAL A 82 52.951 -6.461 8.233 1.00 0.00 H +ATOM 1251 HG13 VAL A 82 52.456 -6.987 6.824 1.00 0.00 H +ATOM 1252 HG21 VAL A 82 55.089 -7.507 5.580 1.00 0.00 H +ATOM 1253 HG22 VAL A 82 53.923 -6.755 4.817 1.00 0.00 H +ATOM 1254 HG23 VAL A 82 55.348 -6.077 4.951 1.00 0.00 H +ATOM 1255 N ARG A 83 54.672 -3.240 8.122 1.00 0.00 N +ATOM 1256 CA ARG A 83 54.667 -2.411 9.360 1.00 0.00 C +ATOM 1257 C ARG A 83 53.739 -1.206 9.186 1.00 0.00 C +ATOM 1258 O ARG A 83 53.162 -0.711 10.135 1.00 0.00 O +ATOM 1259 CB ARG A 83 56.114 -1.952 9.534 1.00 0.00 C +ATOM 1260 CG ARG A 83 56.916 -3.049 10.241 1.00 0.00 C +ATOM 1261 CD ARG A 83 58.123 -2.427 10.945 1.00 0.00 C +ATOM 1262 NE ARG A 83 57.942 -2.763 12.386 1.00 0.00 N +ATOM 1263 CZ ARG A 83 58.910 -3.329 13.051 1.00 0.00 C +ATOM 1264 NH1 ARG A 83 59.957 -2.631 13.402 1.00 0.00 N +ATOM 1265 NH2 ARG A 83 58.833 -4.592 13.370 1.00 0.00 N +ATOM 1266 H ARG A 83 55.438 -3.322 7.740 1.00 0.00 H +ATOM 1267 HA ARG A 83 54.347 -2.904 10.132 1.00 0.00 H +ATOM 1268 HB2 ARG A 83 56.508 -1.756 8.669 1.00 0.00 H +ATOM 1269 HB3 ARG A 83 56.143 -1.132 10.051 1.00 0.00 H +ATOM 1270 HG2 ARG A 83 56.355 -3.508 10.885 1.00 0.00 H +ATOM 1271 HG3 ARG A 83 57.211 -3.712 9.598 1.00 0.00 H +ATOM 1272 HD2 ARG A 83 58.955 -2.788 10.602 1.00 0.00 H +ATOM 1273 HD3 ARG A 83 58.153 -1.467 10.809 1.00 0.00 H +ATOM 1274 HE ARG A 83 57.198 -2.583 12.779 1.00 0.00 H +ATOM 1275 HH11 ARG A 83 60.008 -1.798 13.194 1.00 0.00 H +ATOM 1276 HH12 ARG A 83 60.595 -3.005 13.841 1.00 0.00 H +ATOM 1277 HH21 ARG A 83 58.143 -5.052 13.142 1.00 0.00 H +ATOM 1278 HH22 ARG A 83 59.472 -4.964 13.809 1.00 0.00 H +ATOM 1279 N CYS A 84 53.589 -0.731 7.980 1.00 0.00 N +ATOM 1280 CA CYS A 84 52.696 0.440 7.747 1.00 0.00 C +ATOM 1281 C CYS A 84 51.421 -0.004 7.026 1.00 0.00 C +ATOM 1282 O CYS A 84 50.811 0.755 6.299 1.00 0.00 O +ATOM 1283 CB CYS A 84 53.509 1.389 6.866 1.00 0.00 C +ATOM 1284 SG CYS A 84 55.067 1.797 7.692 1.00 0.00 S +ATOM 1285 H CYS A 84 53.974 -1.044 7.277 1.00 0.00 H +ATOM 1286 HA CYS A 84 52.419 0.863 8.575 1.00 0.00 H +ATOM 1287 HB2 CYS A 84 53.686 0.975 6.007 1.00 0.00 H +ATOM 1288 HB3 CYS A 84 53.003 2.198 6.692 1.00 0.00 H +ATOM 1289 HG CYS A 84 55.952 1.132 7.229 1.00 0.00 H +ATOM 1290 N MET A 85 51.012 -1.229 7.223 1.00 0.00 N +ATOM 1291 CA MET A 85 49.775 -1.719 6.548 1.00 0.00 C +ATOM 1292 C MET A 85 48.666 -0.670 6.655 1.00 0.00 C +ATOM 1293 O MET A 85 48.450 0.114 5.753 1.00 0.00 O +ATOM 1294 CB MET A 85 49.387 -2.989 7.307 1.00 0.00 C +ATOM 1295 CG MET A 85 49.839 -4.217 6.516 1.00 0.00 C +ATOM 1296 SD MET A 85 48.611 -4.599 5.243 1.00 0.00 S +ATOM 1297 CE MET A 85 49.560 -3.995 3.824 1.00 0.00 C +ATOM 1298 H MET A 85 51.406 -1.803 7.727 1.00 0.00 H +ATOM 1299 HA MET A 85 49.913 -1.889 5.603 1.00 0.00 H +ATOM 1300 HB2 MET A 85 49.798 -2.990 8.186 1.00 0.00 H +ATOM 1301 HB3 MET A 85 48.427 -3.015 7.442 1.00 0.00 H +ATOM 1302 HG2 MET A 85 50.702 -4.050 6.107 1.00 0.00 H +ATOM 1303 HG3 MET A 85 49.949 -4.975 7.111 1.00 0.00 H +ATOM 1304 HE1 MET A 85 49.044 -4.120 3.012 1.00 0.00 H +ATOM 1305 HE2 MET A 85 49.753 -3.052 3.942 1.00 0.00 H +ATOM 1306 HE3 MET A 85 50.392 -4.489 3.757 1.00 0.00 H +ATOM 1307 N LYS A 86 47.963 -0.649 7.755 1.00 0.00 N +ATOM 1308 CA LYS A 86 46.870 0.352 7.922 1.00 0.00 C +ATOM 1309 C LYS A 86 47.068 1.131 9.226 1.00 0.00 C +ATOM 1310 O LYS A 86 47.574 0.611 10.200 1.00 0.00 O +ATOM 1311 CB LYS A 86 45.583 -0.470 7.978 1.00 0.00 C +ATOM 1312 CG LYS A 86 44.531 0.166 7.068 1.00 0.00 C +ATOM 1313 CD LYS A 86 43.189 -0.543 7.264 1.00 0.00 C +ATOM 1314 CE LYS A 86 42.586 -0.882 5.898 1.00 0.00 C +ATOM 1315 NZ LYS A 86 41.177 -0.407 5.973 1.00 0.00 N +ATOM 1316 H LYS A 86 48.077 -1.182 8.421 1.00 0.00 H +ATOM 1317 HA LYS A 86 46.852 1.002 7.202 1.00 0.00 H +ATOM 1318 HB2 LYS A 86 45.758 -1.382 7.698 1.00 0.00 H +ATOM 1319 HB3 LYS A 86 45.254 -0.511 8.889 1.00 0.00 H +ATOM 1320 HG2 LYS A 86 44.442 1.110 7.272 1.00 0.00 H +ATOM 1321 HG3 LYS A 86 44.810 0.101 6.141 1.00 0.00 H +ATOM 1322 HD2 LYS A 86 43.313 -1.353 7.784 1.00 0.00 H +ATOM 1323 HD3 LYS A 86 42.582 0.025 7.764 1.00 0.00 H +ATOM 1324 HE2 LYS A 86 43.068 -0.441 5.181 1.00 0.00 H +ATOM 1325 HE3 LYS A 86 42.627 -1.835 5.722 1.00 0.00 H +ATOM 1326 HZ1 LYS A 86 40.813 -0.428 5.161 1.00 0.00 H +ATOM 1327 HZ2 LYS A 86 40.714 -0.936 6.519 1.00 0.00 H +ATOM 1328 HZ3 LYS A 86 41.161 0.427 6.284 1.00 0.00 H +ATOM 1329 N ASP A 87 46.672 2.374 9.250 1.00 0.00 N +ATOM 1330 CA ASP A 87 46.837 3.184 10.491 1.00 0.00 C +ATOM 1331 C ASP A 87 45.610 3.028 11.393 1.00 0.00 C +ATOM 1332 O ASP A 87 44.495 3.305 10.995 1.00 0.00 O +ATOM 1333 CB ASP A 87 46.967 4.629 10.006 1.00 0.00 C +ATOM 1334 CG ASP A 87 47.171 5.556 11.206 1.00 0.00 C +ATOM 1335 OD1 ASP A 87 46.959 5.104 12.320 1.00 0.00 O +ATOM 1336 OD2 ASP A 87 47.535 6.700 10.991 1.00 0.00 O +ATOM 1337 H ASP A 87 46.309 2.787 8.588 1.00 0.00 H +ATOM 1338 HA ASP A 87 47.606 2.905 11.012 1.00 0.00 H +ATOM 1339 HB2 ASP A 87 47.715 4.708 9.393 1.00 0.00 H +ATOM 1340 HB3 ASP A 87 46.171 4.889 9.517 1.00 0.00 H +ATOM 1341 N ASP A 88 45.803 2.585 12.605 1.00 0.00 N +ATOM 1342 CA ASP A 88 44.645 2.411 13.529 1.00 0.00 C +ATOM 1343 C ASP A 88 45.106 2.515 14.986 1.00 0.00 C +ATOM 1344 O ASP A 88 44.510 1.945 15.877 1.00 0.00 O +ATOM 1345 CB ASP A 88 44.113 1.007 13.236 1.00 0.00 C +ATOM 1346 CG ASP A 88 42.611 0.961 13.522 1.00 0.00 C +ATOM 1347 OD1 ASP A 88 42.163 1.733 14.354 1.00 0.00 O +ATOM 1348 OD2 ASP A 88 41.935 0.154 12.907 1.00 0.00 O +ATOM 1349 H ASP A 88 46.569 2.375 12.935 1.00 0.00 H +ATOM 1350 HA ASP A 88 43.967 3.092 13.399 1.00 0.00 H +ATOM 1351 HB2 ASP A 88 44.283 0.773 12.310 1.00 0.00 H +ATOM 1352 HB3 ASP A 88 44.577 0.354 13.784 1.00 0.00 H +ATOM 1353 N SER A 89 46.164 3.238 15.235 1.00 0.00 N +ATOM 1354 CA SER A 89 46.658 3.375 16.635 1.00 0.00 C +ATOM 1355 C SER A 89 45.985 4.568 17.319 1.00 0.00 C +ATOM 1356 O SER A 89 45.271 4.346 18.284 1.00 0.00 O +ATOM 1357 CB SER A 89 48.161 3.611 16.502 1.00 0.00 C +ATOM 1358 OG SER A 89 48.406 4.476 15.400 1.00 0.00 O +ATOM 1359 OXT SER A 89 46.196 5.682 16.867 1.00 0.00 O +ATOM 1360 H SER A 89 46.622 3.660 14.642 1.00 0.00 H +ATOM 1361 HA SER A 89 46.460 2.593 17.173 1.00 0.00 H +ATOM 1362 HB2 SER A 89 48.511 4.002 17.318 1.00 0.00 H +ATOM 1363 HB3 SER A 89 48.621 2.767 16.372 1.00 0.00 H +ATOM 1364 HG SER A 89 47.817 5.075 15.377 1.00 0.00 H +TER 1365 SER A 89 +END