Browse entries in the PDBbind-CN Database
HEADER 4FQO_COMPLEX COMPND 4FQO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 89 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 A 89 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 A 89 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 A 89 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 A 89 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 A 89 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 A 89 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE SEQRES 1 B 89 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 B 89 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 B 89 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 B 89 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 B 89 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 B 89 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 B 89 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET AZ A 3 57 ATOM 1 N MET A 0 -10.954 -2.746 7.316 1.00 37.41 N ATOM 2 CA MET A 0 -9.753 -3.543 7.747 1.00 35.35 C ATOM 3 C MET A 0 -9.484 -3.348 9.239 1.00 32.43 C ATOM 4 O MET A 0 -9.749 -2.259 9.789 1.00 35.44 O ATOM 5 CB MET A 0 -8.487 -3.159 6.947 1.00 37.20 C ATOM 6 CG MET A 0 -8.296 -3.892 5.605 1.00 41.59 C ATOM 7 SD MET A 0 -6.927 -3.152 4.689 1.00 53.39 S ATOM 8 CE MET A 0 -6.792 -4.265 3.298 1.00 51.86 C ATOM 9 HA MET A 0 -9.980 -4.590 7.548 1.00 0.00 H ATOM 10 HB2 MET A 0 -8.532 -2.090 6.741 1.00 0.00 H ATOM 11 HB3 MET A 0 -7.619 -3.371 7.571 1.00 0.00 H ATOM 12 HG2 MET A 0 -9.210 -3.812 5.016 1.00 0.00 H ATOM 13 HG3 MET A 0 -8.078 -4.943 5.795 1.00 0.00 H ATOM 14 HE1 MET A 0 -6.578 -5.271 3.659 1.00 0.00 H ATOM 15 HE2 MET A 0 -7.731 -4.269 2.745 1.00 0.00 H ATOM 16 HE3 MET A 0 -5.985 -3.932 2.645 1.00 0.00 H ATOM 17 HN3 MET A 0 -10.782 -1.737 7.499 1.00 0.00 H ATOM 18 HN2 MET A 0 -11.788 -3.060 7.853 1.00 0.00 H ATOM 19 HN1 MET A 0 -11.119 -2.892 6.300 1.00 0.00 H ATOM 20 N SER A 1 -8.927 -4.373 9.873 1.00 40.73 N ATOM 21 CA SER A 1 -8.623 -4.322 11.287 1.00 35.30 C ATOM 22 C SER A 1 -7.436 -3.422 11.563 1.00 32.08 C ATOM 23 O SER A 1 -6.712 -3.044 10.632 1.00 29.61 O ATOM 24 CB SER A 1 -8.294 -5.720 11.781 1.00 34.26 C ATOM 25 OG SER A 1 -7.055 -6.114 11.228 1.00 29.20 O ATOM 26 HA SER A 1 -9.495 -3.923 11.805 1.00 0.00 H ATOM 27 HB2 SER A 1 -9.074 -6.414 11.467 1.00 0.00 H ATOM 28 HB3 SER A 1 -8.227 -5.719 12.869 1.00 0.00 H ATOM 29 HG SER A 1 -6.829 -7.025 11.543 1.00 0.00 H ATOM 30 H SER A 1 -8.703 -5.237 9.339 1.00 0.00 H ATOM 31 N GLU A 2 -7.186 -3.132 12.841 1.00 30.08 N ATOM 32 CA GLU A 2 -6.001 -2.382 13.237 1.00 29.24 C ATOM 33 C GLU A 2 -4.720 -3.119 12.835 1.00 27.36 C ATOM 34 O GLU A 2 -3.755 -2.477 12.438 1.00 25.80 O ATOM 35 CB GLU A 2 -5.988 -2.122 14.741 1.00 31.02 C ATOM 36 CG GLU A 2 -6.958 -1.018 15.169 1.00 35.99 C ATOM 37 CD GLU A 2 -6.688 0.318 14.466 1.00 42.33 C ATOM 38 OE1 GLU A 2 -5.621 0.941 14.693 1.00 43.09 O ATOM 39 OE2 GLU A 2 -7.561 0.752 13.685 1.00 48.53 O ATOM 40 HA GLU A 2 -6.038 -1.426 12.715 1.00 0.00 H ATOM 41 HB2 GLU A 2 -6.262 -3.043 15.255 1.00 0.00 H ATOM 42 HB3 GLU A 2 -4.979 -1.831 15.034 1.00 0.00 H ATOM 43 HG2 GLU A 2 -7.974 -1.336 14.934 1.00 0.00 H ATOM 44 HG3 GLU A 2 -6.865 -0.870 16.245 1.00 0.00 H ATOM 45 H GLU A 2 -7.853 -3.449 13.573 1.00 0.00 H ATOM 46 N LEU A 3 -4.716 -4.455 12.997 1.00 25.82 N ATOM 47 CA LEU A 3 -3.579 -5.264 12.560 1.00 24.32 C ATOM 48 C LEU A 3 -3.321 -5.129 11.062 1.00 24.66 C ATOM 49 O LEU A 3 -2.172 -4.950 10.630 1.00 24.36 O ATOM 50 CB LEU A 3 -3.766 -6.745 12.971 1.00 25.46 C ATOM 51 CG LEU A 3 -2.666 -7.713 12.498 1.00 24.40 C ATOM 52 CD1 LEU A 3 -1.225 -7.298 12.886 1.00 24.33 C ATOM 53 CD2 LEU A 3 -2.991 -9.067 13.096 1.00 27.29 C ATOM 54 HA LEU A 3 -2.693 -4.882 13.067 1.00 0.00 H ATOM 55 HB2 LEU A 3 -3.805 -6.788 14.059 1.00 0.00 H ATOM 56 HB3 LEU A 3 -4.715 -7.090 12.560 1.00 0.00 H ATOM 57 HG LEU A 3 -2.668 -7.717 11.408 1.00 0.00 H ATOM 58 HD21 LEU A 3 -2.999 -8.990 14.183 1.00 0.00 H ATOM 59 HD22 LEU A 3 -3.971 -9.392 12.746 1.00 0.00 H ATOM 60 HD23 LEU A 3 -2.236 -9.790 12.787 1.00 0.00 H ATOM 61 HD11 LEU A 3 -0.998 -6.326 12.449 1.00 0.00 H ATOM 62 HD12 LEU A 3 -1.146 -7.237 13.971 1.00 0.00 H ATOM 63 HD13 LEU A 3 -0.521 -8.040 12.510 1.00 0.00 H ATOM 64 H LEU A 3 -5.534 -4.919 13.440 1.00 0.00 H ATOM 65 N GLU A 4 -4.383 -5.205 10.270 1.00 25.70 N ATOM 66 CA GLU A 4 -4.241 -5.130 8.823 1.00 26.13 C ATOM 67 C GLU A 4 -3.727 -3.749 8.420 1.00 25.97 C ATOM 68 O GLU A 4 -2.839 -3.634 7.559 1.00 26.09 O ATOM 69 CB GLU A 4 -5.575 -5.478 8.153 1.00 28.28 C ATOM 70 CG GLU A 4 -5.886 -6.983 8.178 1.00 28.44 C ATOM 71 CD GLU A 4 -7.328 -7.340 7.906 1.00 34.52 C ATOM 72 OE1 GLU A 4 -8.200 -6.479 8.066 1.00 34.30 O ATOM 73 OE2 GLU A 4 -7.598 -8.511 7.570 1.00 35.00 O ATOM 74 HA GLU A 4 -3.506 -5.859 8.482 1.00 0.00 H ATOM 75 HB2 GLU A 4 -6.374 -4.949 8.674 1.00 0.00 H ATOM 76 HB3 GLU A 4 -5.539 -5.148 7.115 1.00 0.00 H ATOM 77 HG2 GLU A 4 -5.268 -7.469 7.423 1.00 0.00 H ATOM 78 HG3 GLU A 4 -5.622 -7.367 9.163 1.00 0.00 H ATOM 79 H GLU A 4 -5.328 -5.320 10.688 1.00 0.00 H ATOM 80 N LYS A 5 -4.285 -2.708 9.035 1.00 26.02 N ATOM 81 CA LYS A 5 -3.795 -1.353 8.784 1.00 25.69 C ATOM 82 C LYS A 5 -2.335 -1.179 9.188 1.00 24.90 C ATOM 83 O LYS A 5 -1.569 -0.519 8.478 1.00 24.45 O ATOM 84 CB LYS A 5 -4.691 -0.343 9.485 1.00 27.04 C ATOM 85 CG LYS A 5 -6.027 -0.248 8.826 1.00 28.95 C ATOM 86 CD LYS A 5 -6.900 0.742 9.529 1.00 32.05 C ATOM 87 CE LYS A 5 -8.277 0.729 8.920 1.00 34.52 C ATOM 88 NZ LYS A 5 -9.248 1.125 9.974 1.00 36.90 N ATOM 89 HA LYS A 5 -3.835 -1.175 7.709 1.00 0.00 H ATOM 90 HB2 LYS A 5 -4.828 -0.650 10.522 1.00 0.00 H ATOM 91 HB3 LYS A 5 -4.212 0.636 9.457 1.00 0.00 H ATOM 92 HG2 LYS A 5 -5.893 0.066 7.791 1.00 0.00 H ATOM 93 HG3 LYS A 5 -6.507 -1.226 8.849 1.00 0.00 H ATOM 94 HD2 LYS A 5 -6.968 0.480 10.585 1.00 0.00 H ATOM 95 HD3 LYS A 5 -6.470 1.739 9.431 1.00 0.00 H ATOM 96 HE2 LYS A 5 -8.512 -0.271 8.557 1.00 0.00 H ATOM 97 HE3 LYS A 5 -8.322 1.435 8.091 1.00 0.00 H ATOM 98 HZ1 LYS A 5 -9.197 0.449 10.763 1.00 0.00 H ATOM 99 HZ2 LYS A 5 -9.015 2.079 10.318 1.00 0.00 H ATOM 100 HZ3 LYS A 5 -10.209 1.123 9.577 1.00 0.00 H ATOM 101 H LYS A 5 -5.073 -2.859 9.697 1.00 0.00 H ATOM 102 N ALA A 6 -1.929 -1.801 10.298 1.00 23.91 N ATOM 103 CA ALA A 6 -0.535 -1.771 10.732 1.00 22.45 C ATOM 104 C ALA A 6 0.396 -2.424 9.720 1.00 22.97 C ATOM 105 O ALA A 6 1.451 -1.866 9.403 1.00 22.67 O ATOM 106 CB ALA A 6 -0.383 -2.439 12.141 1.00 22.39 C ATOM 107 HA ALA A 6 -0.241 -0.724 10.807 1.00 0.00 H ATOM 108 HB1 ALA A 6 -0.991 -1.898 12.866 1.00 0.00 H ATOM 109 HB2 ALA A 6 -0.715 -3.476 12.088 1.00 0.00 H ATOM 110 HB3 ALA A 6 0.663 -2.406 12.446 1.00 0.00 H ATOM 111 H ALA A 6 -2.625 -2.321 10.869 1.00 0.00 H ATOM 112 N VAL A 7 0.017 -3.604 9.225 1.00 23.22 N ATOM 113 CA VAL A 7 0.784 -4.278 8.162 1.00 23.82 C ATOM 114 C VAL A 7 1.002 -3.343 6.964 1.00 23.87 C ATOM 115 O VAL A 7 2.122 -3.197 6.465 1.00 23.57 O ATOM 116 CB VAL A 7 0.090 -5.566 7.739 1.00 24.16 C ATOM 117 CG1 VAL A 7 0.634 -6.085 6.443 1.00 25.93 C ATOM 118 CG2 VAL A 7 0.185 -6.636 8.840 1.00 26.32 C ATOM 119 HA VAL A 7 1.766 -4.538 8.558 1.00 0.00 H ATOM 120 HB VAL A 7 -0.963 -5.331 7.585 1.00 0.00 H ATOM 121 HG11 VAL A 7 0.483 -5.339 5.662 1.00 0.00 H ATOM 122 HG12 VAL A 7 1.699 -6.287 6.553 1.00 0.00 H ATOM 123 HG13 VAL A 7 0.114 -7.005 6.174 1.00 0.00 H ATOM 124 HG21 VAL A 7 1.233 -6.855 9.042 1.00 0.00 H ATOM 125 HG22 VAL A 7 -0.292 -6.265 9.747 1.00 0.00 H ATOM 126 HG23 VAL A 7 -0.320 -7.543 8.508 1.00 0.00 H ATOM 127 H VAL A 7 -0.840 -4.059 9.598 1.00 0.00 H ATOM 128 N VAL A 8 -0.060 -2.691 6.526 1.00 25.05 N ATOM 129 CA VAL A 8 0.062 -1.758 5.391 1.00 26.21 C ATOM 130 C VAL A 8 0.985 -0.576 5.708 1.00 25.47 C ATOM 131 O VAL A 8 1.803 -0.141 4.864 1.00 25.96 O ATOM 132 CB VAL A 8 -1.327 -1.294 4.942 1.00 27.83 C ATOM 133 CG1 VAL A 8 -1.194 -0.223 3.866 1.00 30.09 C ATOM 134 CG2 VAL A 8 -2.118 -2.473 4.397 1.00 29.20 C ATOM 135 HA VAL A 8 0.531 -2.292 4.564 1.00 0.00 H ATOM 136 HB VAL A 8 -1.854 -0.876 5.800 1.00 0.00 H ATOM 137 HG11 VAL A 8 -0.643 0.627 4.268 1.00 0.00 H ATOM 138 HG12 VAL A 8 -0.658 -0.634 3.011 1.00 0.00 H ATOM 139 HG13 VAL A 8 -2.187 0.101 3.553 1.00 0.00 H ATOM 140 HG21 VAL A 8 -1.589 -2.901 3.545 1.00 0.00 H ATOM 141 HG22 VAL A 8 -2.226 -3.228 5.176 1.00 0.00 H ATOM 142 HG23 VAL A 8 -3.104 -2.132 4.081 1.00 0.00 H ATOM 143 H VAL A 8 -0.983 -2.836 6.982 1.00 0.00 H ATOM 144 N ALA A 9 0.905 -0.068 6.932 1.00 24.77 N ATOM 145 CA ALA A 9 1.781 1.009 7.344 1.00 24.54 C ATOM 146 C ALA A 9 3.258 0.637 7.318 1.00 23.31 C ATOM 147 O ALA A 9 4.096 1.480 6.997 1.00 24.17 O ATOM 148 CB ALA A 9 1.407 1.507 8.702 1.00 23.84 C ATOM 149 HA ALA A 9 1.643 1.802 6.609 1.00 0.00 H ATOM 150 HB1 ALA A 9 0.381 1.875 8.683 1.00 0.00 H ATOM 151 HB2 ALA A 9 1.488 0.692 9.422 1.00 0.00 H ATOM 152 HB3 ALA A 9 2.079 2.315 8.989 1.00 0.00 H ATOM 153 H ALA A 9 0.206 -0.448 7.602 1.00 0.00 H ATOM 154 N LEU A 10 3.584 -0.617 7.687 1.00 23.02 N ATOM 155 CA LEU A 10 4.987 -1.099 7.648 1.00 22.30 C ATOM 156 C LEU A 10 5.483 -1.074 6.228 1.00 23.14 C ATOM 157 O LEU A 10 6.577 -0.633 5.975 1.00 23.98 O ATOM 158 CB LEU A 10 5.114 -2.517 8.161 1.00 22.79 C ATOM 159 CG LEU A 10 4.696 -2.694 9.630 1.00 23.38 C ATOM 160 CD1 LEU A 10 4.974 -4.152 10.037 1.00 24.56 C ATOM 161 CD2 LEU A 10 5.412 -1.697 10.584 1.00 24.15 C ATOM 162 HA LEU A 10 5.575 -0.441 8.288 1.00 0.00 H ATOM 163 HB2 LEU A 10 4.485 -3.161 7.546 1.00 0.00 H ATOM 164 HB3 LEU A 10 6.155 -2.825 8.062 1.00 0.00 H ATOM 165 HG LEU A 10 3.633 -2.472 9.720 1.00 0.00 H ATOM 166 HD21 LEU A 10 6.490 -1.848 10.523 1.00 0.00 H ATOM 167 HD22 LEU A 10 5.170 -0.676 10.289 1.00 0.00 H ATOM 168 HD23 LEU A 10 5.077 -1.870 11.607 1.00 0.00 H ATOM 169 HD11 LEU A 10 4.397 -4.822 9.400 1.00 0.00 H ATOM 170 HD12 LEU A 10 6.037 -4.364 9.921 1.00 0.00 H ATOM 171 HD13 LEU A 10 4.684 -4.299 11.077 1.00 0.00 H ATOM 172 H LEU A 10 2.834 -1.263 8.007 1.00 0.00 H ATOM 173 N ILE A 11 4.641 -1.535 5.316 1.00 23.46 N ATOM 174 CA ILE A 11 5.038 -1.532 3.886 1.00 25.14 C ATOM 175 C ILE A 11 5.181 -0.096 3.366 1.00 25.41 C ATOM 176 O ILE A 11 6.160 0.229 2.640 1.00 25.80 O ATOM 177 CB ILE A 11 4.013 -2.328 3.057 1.00 25.09 C ATOM 178 CG1 ILE A 11 4.044 -3.808 3.472 1.00 26.54 C ATOM 179 CG2 ILE A 11 4.294 -2.163 1.545 1.00 27.76 C ATOM 180 CD1 ILE A 11 2.847 -4.611 2.964 1.00 29.04 C ATOM 181 HA ILE A 11 6.010 -2.015 3.786 1.00 0.00 H ATOM 182 HB ILE A 11 3.014 -1.938 3.252 1.00 0.00 H ATOM 183 HG12 ILE A 11 4.954 -4.258 3.076 1.00 0.00 H ATOM 184 HG13 ILE A 11 4.058 -3.861 4.561 1.00 0.00 H ATOM 185 HD11 ILE A 11 1.928 -4.180 3.360 1.00 0.00 H ATOM 186 HD12 ILE A 11 2.825 -4.578 1.875 1.00 0.00 H ATOM 187 HD13 ILE A 11 2.938 -5.645 3.296 1.00 0.00 H ATOM 188 HG21 ILE A 11 4.225 -1.109 1.277 1.00 0.00 H ATOM 189 HG22 ILE A 11 5.295 -2.532 1.320 1.00 0.00 H ATOM 190 HG23 ILE A 11 3.559 -2.733 0.976 1.00 0.00 H ATOM 191 H ILE A 11 3.708 -1.897 5.600 1.00 0.00 H ATOM 192 N ASP A 12 4.229 0.769 3.713 1.00 26.74 N ATOM 193 CA ASP A 12 4.230 2.166 3.268 1.00 28.28 C ATOM 194 C ASP A 12 5.504 2.902 3.698 1.00 28.27 C ATOM 195 O ASP A 12 6.131 3.620 2.896 1.00 28.24 O ATOM 196 CB ASP A 12 3.005 2.932 3.785 1.00 29.10 C ATOM 197 CG ASP A 12 1.712 2.550 3.087 1.00 35.63 C ATOM 198 OD1 ASP A 12 0.633 2.812 3.669 1.00 35.94 O ATOM 199 OD2 ASP A 12 1.753 2.021 1.953 1.00 39.05 O ATOM 200 HA ASP A 12 4.192 2.135 2.179 1.00 0.00 H ATOM 201 HB2 ASP A 12 2.895 2.729 4.850 1.00 0.00 H ATOM 202 HB3 ASP A 12 3.176 3.998 3.635 1.00 0.00 H ATOM 203 H ASP A 12 3.454 0.440 4.324 1.00 0.00 H ATOM 204 N VAL A 13 5.911 2.722 4.956 1.00 25.97 N ATOM 205 CA VAL A 13 7.039 3.500 5.459 1.00 26.57 C ATOM 206 C VAL A 13 8.328 3.012 4.809 1.00 26.63 C ATOM 207 O VAL A 13 9.197 3.825 4.482 1.00 27.36 O ATOM 208 CB VAL A 13 7.136 3.557 7.007 1.00 26.45 C ATOM 209 CG1 VAL A 13 7.519 2.210 7.584 1.00 24.58 C ATOM 210 CG2 VAL A 13 8.099 4.664 7.497 1.00 27.84 C ATOM 211 HA VAL A 13 6.867 4.537 5.172 1.00 0.00 H ATOM 212 HB VAL A 13 6.142 3.814 7.373 1.00 0.00 H ATOM 213 HG11 VAL A 13 6.766 1.471 7.310 1.00 0.00 H ATOM 214 HG12 VAL A 13 8.488 1.908 7.186 1.00 0.00 H ATOM 215 HG13 VAL A 13 7.578 2.285 8.670 1.00 0.00 H ATOM 216 HG21 VAL A 13 9.098 4.475 7.103 1.00 0.00 H ATOM 217 HG22 VAL A 13 7.745 5.633 7.145 1.00 0.00 H ATOM 218 HG23 VAL A 13 8.130 4.661 8.587 1.00 0.00 H ATOM 219 H VAL A 13 5.430 2.035 5.571 1.00 0.00 H ATOM 220 N PHE A 14 8.410 1.713 4.547 1.00 25.10 N ATOM 221 CA PHE A 14 9.611 1.202 3.881 1.00 24.94 C ATOM 222 C PHE A 14 9.754 1.877 2.529 1.00 27.49 C ATOM 223 O PHE A 14 10.808 2.403 2.211 1.00 28.47 O ATOM 224 CB PHE A 14 9.547 -0.305 3.716 1.00 24.36 C ATOM 225 CG PHE A 14 10.752 -0.890 3.018 1.00 24.13 C ATOM 226 CD1 PHE A 14 11.950 -1.094 3.703 1.00 24.89 C ATOM 227 CD2 PHE A 14 10.680 -1.242 1.692 1.00 27.24 C ATOM 228 CE1 PHE A 14 13.070 -1.629 3.043 1.00 24.45 C ATOM 229 CE2 PHE A 14 11.800 -1.768 1.017 1.00 28.42 C ATOM 230 CZ PHE A 14 12.983 -1.994 1.709 1.00 27.02 C ATOM 231 HA PHE A 14 10.480 1.428 4.498 1.00 0.00 H ATOM 232 HB2 PHE A 14 9.468 -0.757 4.705 1.00 0.00 H ATOM 233 HB3 PHE A 14 8.659 -0.551 3.134 1.00 0.00 H ATOM 234 HD2 PHE A 14 9.741 -1.112 1.153 1.00 0.00 H ATOM 235 HE2 PHE A 14 11.738 -1.997 -0.047 1.00 0.00 H ATOM 236 HZ PHE A 14 13.835 -2.454 1.208 1.00 0.00 H ATOM 237 HE1 PHE A 14 14.009 -1.757 3.582 1.00 0.00 H ATOM 238 HD1 PHE A 14 12.018 -0.836 4.760 1.00 0.00 H ATOM 239 H PHE A 14 7.636 1.070 4.810 1.00 0.00 H ATOM 240 N HIS A 15 8.673 1.887 1.766 1.00 27.92 N ATOM 241 CA HIS A 15 8.732 2.481 0.424 1.00 30.03 C ATOM 242 C HIS A 15 8.879 3.975 0.366 1.00 30.81 C ATOM 243 O HIS A 15 9.460 4.526 -0.606 1.00 32.90 O ATOM 244 CB HIS A 15 7.596 1.928 -0.399 1.00 29.78 C ATOM 245 CG HIS A 15 7.948 0.591 -0.950 1.00 34.88 C ATOM 246 ND1 HIS A 15 7.401 -0.584 -0.483 1.00 36.36 N ATOM 247 CD2 HIS A 15 8.901 0.236 -1.846 1.00 35.63 C ATOM 248 CE1 HIS A 15 7.964 -1.600 -1.109 1.00 33.58 C ATOM 249 NE2 HIS A 15 8.890 -1.131 -1.930 1.00 39.99 N ATOM 250 HA HIS A 15 9.678 2.177 -0.024 1.00 0.00 H ATOM 251 HB2 HIS A 15 6.711 1.834 0.230 1.00 0.00 H ATOM 252 HB3 HIS A 15 7.385 2.610 -1.222 1.00 0.00 H ATOM 253 HD2 HIS A 15 9.554 0.912 -2.397 1.00 0.00 H ATOM 254 HE1 HIS A 15 7.709 -2.651 -0.973 1.00 0.00 H ATOM 255 H HIS A 15 7.784 1.475 2.116 1.00 0.00 H ATOM 256 N GLN A 16 8.396 4.644 1.397 1.00 29.65 N ATOM 257 CA GLN A 16 8.539 6.076 1.533 1.00 30.93 C ATOM 258 C GLN A 16 10.009 6.474 1.557 1.00 30.70 C ATOM 259 O GLN A 16 10.390 7.541 1.036 1.00 31.62 O ATOM 260 CB GLN A 16 7.852 6.505 2.813 1.00 31.32 C ATOM 261 CG GLN A 16 7.921 7.956 3.142 1.00 35.59 C ATOM 262 CD GLN A 16 6.912 8.335 4.199 1.00 39.74 C ATOM 263 OE1 GLN A 16 6.175 7.468 4.731 1.00 44.80 O ATOM 264 NE2 GLN A 16 6.870 9.617 4.532 1.00 43.57 N ATOM 265 HA GLN A 16 8.079 6.573 0.679 1.00 0.00 H ATOM 266 HB2 GLN A 16 6.800 6.231 2.734 1.00 0.00 H ATOM 267 HB3 GLN A 16 8.308 5.955 3.636 1.00 0.00 H ATOM 268 HG2 GLN A 16 8.921 8.189 3.508 1.00 0.00 H ATOM 269 HG3 GLN A 16 7.722 8.534 2.239 1.00 0.00 H ATOM 270 HE22 GLN A 16 7.501 10.297 4.062 1.00 0.00 H ATOM 271 HE21 GLN A 16 6.206 9.943 5.263 1.00 0.00 H ATOM 272 H GLN A 16 7.893 4.120 2.141 1.00 0.00 H ATOM 273 N TYR A 17 10.822 5.593 2.132 1.00 29.58 N ATOM 274 CA TYR A 17 12.254 5.858 2.289 1.00 29.55 C ATOM 275 C TYR A 17 13.134 5.142 1.285 1.00 29.46 C ATOM 276 O TYR A 17 14.097 5.742 0.793 1.00 30.21 O ATOM 277 CB TYR A 17 12.684 5.632 3.753 1.00 28.93 C ATOM 278 CG TYR A 17 12.120 6.750 4.577 1.00 28.70 C ATOM 279 CD1 TYR A 17 10.841 6.653 5.144 1.00 29.58 C ATOM 280 CD2 TYR A 17 12.803 7.957 4.691 1.00 30.16 C ATOM 281 CE1 TYR A 17 10.298 7.746 5.837 1.00 28.91 C ATOM 282 CE2 TYR A 17 12.277 9.021 5.387 1.00 31.68 C ATOM 283 CZ TYR A 17 11.034 8.901 5.966 1.00 29.71 C ATOM 284 OH TYR A 17 10.524 9.979 6.631 1.00 31.81 O ATOM 285 HA TYR A 17 12.409 6.911 2.053 1.00 0.00 H ATOM 286 HB3 TYR A 17 13.772 5.632 3.824 1.00 0.00 H ATOM 287 HB2 TYR A 17 12.297 4.677 4.110 1.00 0.00 H ATOM 288 HD2 TYR A 17 13.779 8.062 4.217 1.00 0.00 H ATOM 289 HE2 TYR A 17 12.839 9.950 5.479 1.00 0.00 H ATOM 290 HE1 TYR A 17 9.300 7.680 6.270 1.00 0.00 H ATOM 291 HD1 TYR A 17 10.269 5.730 5.047 1.00 0.00 H ATOM 292 HH TYR A 17 9.631 9.750 6.993 1.00 0.00 H ATOM 293 H TYR A 17 10.432 4.694 2.479 1.00 0.00 H ATOM 294 N SER A 18 12.771 3.903 0.940 1.00 28.55 N ATOM 295 CA SER A 18 13.607 3.075 0.036 1.00 27.31 C ATOM 296 C SER A 18 13.708 3.581 -1.385 1.00 28.45 C ATOM 297 O SER A 18 14.709 3.327 -2.070 1.00 27.28 O ATOM 298 CB SER A 18 13.113 1.620 0.035 1.00 27.65 C ATOM 299 OG SER A 18 11.917 1.515 -0.705 1.00 27.95 O ATOM 300 HA SER A 18 14.615 3.142 0.444 1.00 0.00 H ATOM 301 HB2 SER A 18 12.932 1.300 1.061 1.00 0.00 H ATOM 302 HB3 SER A 18 13.873 0.981 -0.415 1.00 0.00 H ATOM 303 HG SER A 18 12.081 1.804 -1.638 1.00 0.00 H ATOM 304 H SER A 18 11.883 3.511 1.313 1.00 0.00 H ATOM 305 N GLY A 19 12.666 4.264 -1.840 1.00 28.81 N ATOM 306 CA GLY A 19 12.607 4.781 -3.206 1.00 30.65 C ATOM 307 C GLY A 19 13.282 6.121 -3.488 1.00 32.13 C ATOM 308 O GLY A 19 13.278 6.604 -4.638 1.00 35.50 O ATOM 309 HA3 GLY A 19 11.555 4.885 -3.470 1.00 0.00 H ATOM 310 HA2 GLY A 19 13.072 4.039 -3.855 1.00 0.00 H ATOM 311 H GLY A 19 11.863 4.438 -1.203 1.00 0.00 H ATOM 312 N ARG A 20 13.857 6.724 -2.452 1.00 31.06 N ATOM 313 CA ARG A 20 14.457 8.052 -2.568 1.00 32.43 C ATOM 314 C ARG A 20 15.721 8.017 -3.418 1.00 32.51 C ATOM 315 O ARG A 20 15.934 8.906 -4.234 1.00 33.85 O ATOM 316 CB ARG A 20 14.745 8.636 -1.174 1.00 33.03 C ATOM 317 CG ARG A 20 13.487 8.919 -0.305 1.00 35.63 C ATOM 318 CD ARG A 20 13.938 9.429 1.092 1.00 42.87 C ATOM 319 NE ARG A 20 13.078 10.304 1.931 1.00 47.65 N ATOM 320 CZ ARG A 20 11.749 10.432 1.945 1.00 48.24 C ATOM 321 NH1 ARG A 20 10.944 9.773 1.125 1.00 48.49 N ATOM 322 NH2 ARG A 20 11.208 11.264 2.826 1.00 50.50 N ATOM 323 HA ARG A 20 13.742 8.703 -3.072 1.00 0.00 H ATOM 324 HB2 ARG A 20 15.376 7.929 -0.635 1.00 0.00 H ATOM 325 HB3 ARG A 20 15.283 9.575 -1.305 1.00 0.00 H ATOM 326 HG2 ARG A 20 12.871 9.677 -0.789 1.00 0.00 H ATOM 327 HG3 ARG A 20 12.909 8.002 -0.190 1.00 0.00 H ATOM 328 HD2 ARG A 20 14.866 9.978 0.931 1.00 0.00 H ATOM 329 HD3 ARG A 20 14.143 8.540 1.689 1.00 0.00 H ATOM 330 HE ARG A 20 13.588 10.907 2.608 1.00 0.00 H ATOM 331 HH12 ARG A 20 9.915 9.913 1.182 1.00 0.00 H ATOM 332 HH11 ARG A 20 11.341 9.115 0.424 1.00 0.00 H ATOM 333 HH22 ARG A 20 10.176 11.385 2.861 1.00 0.00 H ATOM 334 HH21 ARG A 20 11.816 11.795 3.481 1.00 0.00 H ATOM 335 H ARG A 20 13.881 6.237 -1.533 1.00 0.00 H ATOM 336 N GLU A 21 16.548 6.986 -3.224 1.00 30.31 N ATOM 337 CA GLU A 21 17.899 6.911 -3.789 1.00 31.23 C ATOM 338 C GLU A 21 18.224 5.505 -4.269 1.00 30.06 C ATOM 339 O GLU A 21 17.810 4.520 -3.656 1.00 29.08 O ATOM 340 CB GLU A 21 18.910 7.233 -2.699 1.00 30.93 C ATOM 341 CG GLU A 21 18.803 8.625 -2.096 1.00 32.81 C ATOM 342 CD GLU A 21 19.859 8.802 -1.052 1.00 35.93 C ATOM 343 OE1 GLU A 21 21.041 8.974 -1.436 1.00 36.77 O ATOM 344 OE2 GLU A 21 19.516 8.686 0.147 1.00 35.73 O ATOM 345 HA GLU A 21 17.945 7.612 -4.622 1.00 0.00 H ATOM 346 HB2 GLU A 21 18.780 6.508 -1.896 1.00 0.00 H ATOM 347 HB3 GLU A 21 19.908 7.127 -3.124 1.00 0.00 H ATOM 348 HG2 GLU A 21 18.938 9.371 -2.879 1.00 0.00 H ATOM 349 HG3 GLU A 21 17.820 8.750 -1.643 1.00 0.00 H ATOM 350 H GLU A 21 16.215 6.193 -2.640 1.00 0.00 H ATOM 351 N GLY A 22 19.037 5.423 -5.315 1.00 31.90 N ATOM 352 CA GLY A 22 19.632 4.153 -5.718 1.00 31.81 C ATOM 353 C GLY A 22 18.617 3.044 -5.923 1.00 31.04 C ATOM 354 O GLY A 22 17.553 3.261 -6.544 1.00 32.32 O ATOM 355 HA3 GLY A 22 20.333 3.840 -4.944 1.00 0.00 H ATOM 356 HA2 GLY A 22 20.170 4.306 -6.654 1.00 0.00 H ATOM 357 H GLY A 22 19.255 6.282 -5.859 1.00 0.00 H ATOM 358 N ASP A 23 18.936 1.856 -5.392 1.00 30.41 N ATOM 359 CA ASP A 23 18.022 0.706 -5.442 1.00 29.96 C ATOM 360 C ASP A 23 16.702 1.105 -4.807 1.00 29.39 C ATOM 361 O ASP A 23 16.650 1.466 -3.626 1.00 27.98 O ATOM 362 CB ASP A 23 18.664 -0.493 -4.722 1.00 30.08 C ATOM 363 CG ASP A 23 17.901 -1.821 -4.940 1.00 32.15 C ATOM 364 OD1 ASP A 23 16.658 -1.811 -5.084 1.00 32.46 O ATOM 365 OD2 ASP A 23 18.568 -2.883 -4.954 1.00 34.75 O ATOM 366 HA ASP A 23 17.832 0.408 -6.473 1.00 0.00 H ATOM 367 HB2 ASP A 23 19.682 -0.614 -5.092 1.00 0.00 H ATOM 368 HB3 ASP A 23 18.690 -0.281 -3.653 1.00 0.00 H ATOM 369 H ASP A 23 19.861 1.744 -4.929 1.00 0.00 H ATOM 370 N LYS A 24 15.625 1.081 -5.581 1.00 30.53 N ATOM 371 CA LYS A 24 14.358 1.527 -5.038 1.00 31.52 C ATOM 372 C LYS A 24 13.730 0.523 -4.076 1.00 30.09 C ATOM 373 O LYS A 24 12.733 0.833 -3.414 1.00 29.51 O ATOM 374 CB LYS A 24 13.392 1.867 -6.170 1.00 33.14 C ATOM 375 CG LYS A 24 13.772 3.149 -6.886 1.00 38.17 C ATOM 376 CD LYS A 24 13.132 3.192 -8.247 1.00 44.58 C ATOM 377 CE LYS A 24 13.574 4.417 -9.066 1.00 48.68 C ATOM 378 NZ LYS A 24 13.399 5.658 -8.261 1.00 50.04 N ATOM 379 HA LYS A 24 14.563 2.423 -4.452 1.00 0.00 H ATOM 380 HB2 LYS A 24 13.394 1.049 -6.890 1.00 0.00 H ATOM 381 HB3 LYS A 24 12.391 1.981 -5.754 1.00 0.00 H ATOM 382 HG2 LYS A 24 13.432 4.003 -6.301 1.00 0.00 H ATOM 383 HG3 LYS A 24 14.856 3.193 -6.996 1.00 0.00 H ATOM 384 HD2 LYS A 24 13.407 2.289 -8.792 1.00 0.00 H ATOM 385 HD3 LYS A 24 12.049 3.225 -8.124 1.00 0.00 H ATOM 386 HE2 LYS A 24 12.969 4.485 -9.970 1.00 0.00 H ATOM 387 HE3 LYS A 24 14.623 4.309 -9.340 1.00 0.00 H ATOM 388 HZ1 LYS A 24 12.397 5.763 -8.001 1.00 0.00 H ATOM 389 HZ2 LYS A 24 13.977 5.595 -7.399 1.00 0.00 H ATOM 390 HZ3 LYS A 24 13.700 6.480 -8.823 1.00 0.00 H ATOM 391 H LYS A 24 15.689 0.747 -6.564 1.00 0.00 H ATOM 392 N HIS A 25 14.323 -0.670 -3.989 1.00 29.98 N ATOM 393 CA HIS A 25 13.798 -1.740 -3.126 1.00 30.11 C ATOM 394 C HIS A 25 14.629 -1.971 -1.862 1.00 28.85 C ATOM 395 O HIS A 25 14.401 -2.929 -1.124 1.00 28.78 O ATOM 396 CB HIS A 25 13.696 -3.039 -3.930 1.00 32.35 C ATOM 397 CG HIS A 25 12.912 -2.905 -5.198 1.00 37.37 C ATOM 398 ND1 HIS A 25 11.588 -2.533 -5.213 1.00 42.20 N ATOM 399 CD2 HIS A 25 13.267 -3.095 -6.492 1.00 43.79 C ATOM 400 CE1 HIS A 25 11.156 -2.494 -6.462 1.00 42.60 C ATOM 401 NE2 HIS A 25 12.153 -2.837 -7.258 1.00 46.75 N ATOM 402 HA HIS A 25 12.813 -1.418 -2.788 1.00 0.00 H ATOM 403 HB2 HIS A 25 14.704 -3.367 -4.182 1.00 0.00 H ATOM 404 HB3 HIS A 25 13.215 -3.793 -3.306 1.00 0.00 H ATOM 405 HD2 HIS A 25 14.249 -3.395 -6.857 1.00 0.00 H ATOM 406 HE1 HIS A 25 10.149 -2.225 -6.781 1.00 0.00 H ATOM 407 H HIS A 25 15.182 -0.848 -4.548 1.00 0.00 H ATOM 408 N LYS A 26 15.620 -1.117 -1.622 1.00 27.44 N ATOM 409 CA LYS A 26 16.437 -1.247 -0.414 1.00 25.81 C ATOM 410 C LYS A 26 16.693 0.124 0.196 1.00 25.23 C ATOM 411 O LYS A 26 16.679 1.154 -0.504 1.00 28.01 O ATOM 412 CB LYS A 26 17.786 -1.924 -0.719 1.00 25.77 C ATOM 413 CG LYS A 26 17.694 -3.318 -1.363 1.00 27.26 C ATOM 414 CD LYS A 26 19.067 -3.868 -1.627 1.00 29.41 C ATOM 415 CE LYS A 26 19.004 -5.229 -2.277 1.00 31.93 C ATOM 416 NZ LYS A 26 20.398 -5.592 -2.733 1.00 38.07 N ATOM 417 HA LYS A 26 15.886 -1.870 0.291 1.00 0.00 H ATOM 418 HB2 LYS A 26 18.342 -1.276 -1.397 1.00 0.00 H ATOM 419 HB3 LYS A 26 18.333 -2.022 0.219 1.00 0.00 H ATOM 420 HG2 LYS A 26 17.162 -3.990 -0.690 1.00 0.00 H ATOM 421 HG3 LYS A 26 17.150 -3.243 -2.305 1.00 0.00 H ATOM 422 HD2 LYS A 26 19.601 -3.185 -2.287 1.00 0.00 H ATOM 423 HD3 LYS A 26 19.603 -3.952 -0.682 1.00 0.00 H ATOM 424 HE2 LYS A 26 18.330 -5.200 -3.133 1.00 0.00 H ATOM 425 HE3 LYS A 26 18.645 -5.966 -1.559 1.00 0.00 H ATOM 426 HZ1 LYS A 26 20.734 -4.882 -3.415 1.00 0.00 H ATOM 427 HZ2 LYS A 26 21.035 -5.614 -1.911 1.00 0.00 H ATOM 428 HZ3 LYS A 26 20.381 -6.528 -3.185 1.00 0.00 H ATOM 429 H LYS A 26 15.816 -0.351 -2.298 1.00 0.00 H ATOM 430 N LEU A 27 16.935 0.141 1.508 1.00 25.00 N ATOM 431 CA LEU A 27 17.322 1.354 2.221 1.00 24.91 C ATOM 432 C LEU A 27 18.841 1.382 2.298 1.00 25.76 C ATOM 433 O LEU A 27 19.436 0.540 2.972 1.00 26.49 O ATOM 434 CB LEU A 27 16.771 1.372 3.644 1.00 24.91 C ATOM 435 CG LEU A 27 15.240 1.351 3.784 1.00 24.07 C ATOM 436 CD1 LEU A 27 14.855 0.858 5.208 1.00 25.23 C ATOM 437 CD2 LEU A 27 14.637 2.704 3.507 1.00 26.83 C ATOM 438 HA LEU A 27 16.921 2.217 1.689 1.00 0.00 H ATOM 439 HB2 LEU A 27 17.164 0.498 4.163 1.00 0.00 H ATOM 440 HB3 LEU A 27 17.136 2.277 4.130 1.00 0.00 H ATOM 441 HG LEU A 27 14.837 0.662 3.042 1.00 0.00 H ATOM 442 HD21 LEU A 27 15.037 3.430 4.214 1.00 0.00 H ATOM 443 HD22 LEU A 27 14.885 3.010 2.491 1.00 0.00 H ATOM 444 HD23 LEU A 27 13.554 2.647 3.616 1.00 0.00 H ATOM 445 HD11 LEU A 27 15.248 -0.147 5.362 1.00 0.00 H ATOM 446 HD12 LEU A 27 15.279 1.533 5.952 1.00 0.00 H ATOM 447 HD13 LEU A 27 13.769 0.844 5.305 1.00 0.00 H ATOM 448 H LEU A 27 16.844 -0.746 2.044 1.00 0.00 H ATOM 449 N LYS A 28 19.468 2.338 1.624 1.00 25.77 N ATOM 450 CA LYS A 28 20.892 2.591 1.870 1.00 26.39 C ATOM 451 C LYS A 28 21.024 3.381 3.179 1.00 26.04 C ATOM 452 O LYS A 28 20.026 3.829 3.722 1.00 27.20 O ATOM 453 CB LYS A 28 21.579 3.328 0.705 1.00 27.83 C ATOM 454 CG LYS A 28 21.037 4.724 0.394 1.00 29.55 C ATOM 455 CD LYS A 28 21.498 5.206 -0.998 1.00 30.79 C ATOM 456 CE LYS A 28 22.970 5.510 -1.042 1.00 34.51 C ATOM 457 NZ LYS A 28 23.295 6.900 -0.591 1.00 34.67 N ATOM 458 HA LYS A 28 21.404 1.632 1.953 1.00 0.00 H ATOM 459 HB2 LYS A 28 22.637 3.425 0.947 1.00 0.00 H ATOM 460 HB3 LYS A 28 21.467 2.717 -0.191 1.00 0.00 H ATOM 461 HG2 LYS A 28 19.948 4.696 0.418 1.00 0.00 H ATOM 462 HG3 LYS A 28 21.398 5.422 1.149 1.00 0.00 H ATOM 463 HD2 LYS A 28 21.279 4.427 -1.728 1.00 0.00 H ATOM 464 HD3 LYS A 28 20.946 6.110 -1.256 1.00 0.00 H ATOM 465 HE2 LYS A 28 23.320 5.387 -2.067 1.00 0.00 H ATOM 466 HE3 LYS A 28 23.490 4.804 -0.394 1.00 0.00 H ATOM 467 HZ1 LYS A 28 22.812 7.585 -1.207 1.00 0.00 H ATOM 468 HZ2 LYS A 28 22.975 7.029 0.390 1.00 0.00 H ATOM 469 HZ3 LYS A 28 24.323 7.049 -0.644 1.00 0.00 H ATOM 470 H LYS A 28 18.951 2.906 0.923 1.00 0.00 H ATOM 471 N LYS A 29 22.237 3.549 3.692 1.00 28.04 N ATOM 472 CA LYS A 29 22.418 4.182 5.014 1.00 27.32 C ATOM 473 C LYS A 29 21.753 5.545 5.115 1.00 28.55 C ATOM 474 O LYS A 29 21.139 5.870 6.126 1.00 27.71 O ATOM 475 CB LYS A 29 23.901 4.264 5.407 1.00 28.72 C ATOM 476 CG LYS A 29 24.467 2.903 5.859 1.00 29.15 C ATOM 477 CD LYS A 29 25.941 3.029 6.292 1.00 31.72 C ATOM 478 CE LYS A 29 26.840 3.570 5.194 1.00 38.06 C ATOM 479 NZ LYS A 29 27.049 2.533 4.148 1.00 41.67 N ATOM 480 HA LYS A 29 21.913 3.532 5.728 1.00 0.00 H ATOM 481 HB2 LYS A 29 24.472 4.612 4.547 1.00 0.00 H ATOM 482 HB3 LYS A 29 24.007 4.976 6.225 1.00 0.00 H ATOM 483 HG2 LYS A 29 23.879 2.535 6.700 1.00 0.00 H ATOM 484 HG3 LYS A 29 24.398 2.196 5.032 1.00 0.00 H ATOM 485 HD2 LYS A 29 25.995 3.702 7.148 1.00 0.00 H ATOM 486 HD3 LYS A 29 26.303 2.043 6.583 1.00 0.00 H ATOM 487 HE2 LYS A 29 27.803 3.851 5.621 1.00 0.00 H ATOM 488 HE3 LYS A 29 26.374 4.447 4.745 1.00 0.00 H ATOM 489 HZ1 LYS A 29 27.496 1.697 4.575 1.00 0.00 H ATOM 490 HZ2 LYS A 29 26.131 2.266 3.738 1.00 0.00 H ATOM 491 HZ3 LYS A 29 27.665 2.914 3.402 1.00 0.00 H ATOM 492 H LYS A 29 23.070 3.231 3.156 1.00 0.00 H ATOM 493 N SER A 30 21.858 6.344 4.056 1.00 28.90 N ATOM 494 CA SER A 30 21.278 7.682 4.087 1.00 29.99 C ATOM 495 C SER A 30 19.756 7.605 4.232 1.00 28.92 C ATOM 496 O SER A 30 19.160 8.387 4.980 1.00 30.38 O ATOM 497 CB SER A 30 21.705 8.510 2.853 1.00 31.04 C ATOM 498 OG SER A 30 21.413 7.793 1.664 1.00 32.34 O ATOM 499 HA SER A 30 21.665 8.204 4.962 1.00 0.00 H ATOM 500 HB2 SER A 30 22.776 8.707 2.903 1.00 0.00 H ATOM 501 HB3 SER A 30 21.163 9.456 2.847 1.00 0.00 H ATOM 502 HG SER A 30 20.440 7.616 1.618 1.00 0.00 H ATOM 503 H SER A 30 22.355 6.014 3.204 1.00 0.00 H ATOM 504 N GLU A 31 19.129 6.641 3.558 1.00 27.62 N ATOM 505 CA GLU A 31 17.668 6.497 3.645 1.00 26.92 C ATOM 506 C GLU A 31 17.243 6.006 5.020 1.00 26.49 C ATOM 507 O GLU A 31 16.228 6.462 5.576 1.00 27.41 O ATOM 508 CB GLU A 31 17.160 5.550 2.560 1.00 26.16 C ATOM 509 CG GLU A 31 17.276 6.109 1.131 1.00 27.58 C ATOM 510 CD GLU A 31 17.144 5.012 0.076 1.00 30.36 C ATOM 511 OE1 GLU A 31 17.504 3.845 0.326 1.00 29.12 O ATOM 512 OE2 GLU A 31 16.657 5.292 -1.006 1.00 29.14 O ATOM 513 HA GLU A 31 17.224 7.480 3.488 1.00 0.00 H ATOM 514 HB2 GLU A 31 17.737 4.627 2.614 1.00 0.00 H ATOM 515 HB3 GLU A 31 16.110 5.334 2.759 1.00 0.00 H ATOM 516 HG2 GLU A 31 16.487 6.845 0.975 1.00 0.00 H ATOM 517 HG3 GLU A 31 18.247 6.591 1.019 1.00 0.00 H ATOM 518 H GLU A 31 19.677 5.985 2.966 1.00 0.00 H ATOM 519 N LEU A 32 18.006 5.062 5.551 1.00 26.03 N ATOM 520 CA LEU A 32 17.750 4.477 6.874 1.00 25.92 C ATOM 521 C LEU A 32 17.852 5.544 7.968 1.00 27.18 C ATOM 522 O LEU A 32 17.036 5.583 8.894 1.00 27.06 O ATOM 523 CB LEU A 32 18.737 3.332 7.131 1.00 25.86 C ATOM 524 CG LEU A 32 18.591 2.648 8.483 1.00 26.98 C ATOM 525 CD1 LEU A 32 17.211 1.981 8.652 1.00 26.89 C ATOM 526 CD2 LEU A 32 19.734 1.677 8.648 1.00 29.85 C ATOM 527 HA LEU A 32 16.736 4.078 6.895 1.00 0.00 H ATOM 528 HB2 LEU A 32 18.593 2.581 6.354 1.00 0.00 H ATOM 529 HB3 LEU A 32 19.748 3.735 7.063 1.00 0.00 H ATOM 530 HG LEU A 32 18.640 3.392 9.278 1.00 0.00 H ATOM 531 HD21 LEU A 32 19.699 0.937 7.848 1.00 0.00 H ATOM 532 HD22 LEU A 32 20.679 2.219 8.602 1.00 0.00 H ATOM 533 HD23 LEU A 32 19.647 1.176 9.612 1.00 0.00 H ATOM 534 HD11 LEU A 32 16.431 2.737 8.568 1.00 0.00 H ATOM 535 HD12 LEU A 32 17.075 1.229 7.875 1.00 0.00 H ATOM 536 HD13 LEU A 32 17.156 1.507 9.632 1.00 0.00 H ATOM 537 H LEU A 32 18.823 4.720 5.007 1.00 0.00 H ATOM 538 N LYS A 33 18.830 6.425 7.838 1.00 28.42 N ATOM 539 CA LYS A 33 18.988 7.557 8.749 1.00 29.38 C ATOM 540 C LYS A 33 17.761 8.450 8.705 1.00 30.95 C ATOM 541 O LYS A 33 17.231 8.803 9.756 1.00 30.67 O ATOM 542 CB LYS A 33 20.242 8.357 8.412 1.00 31.23 C ATOM 543 CG LYS A 33 20.431 9.601 9.283 1.00 33.14 C ATOM 544 CD LYS A 33 21.742 10.343 8.942 1.00 36.00 C ATOM 545 CE LYS A 33 21.867 11.584 9.809 1.00 39.85 C ATOM 546 NZ LYS A 33 22.987 12.481 9.407 1.00 44.15 N ATOM 547 HA LYS A 33 19.097 7.165 9.760 1.00 0.00 H ATOM 548 HB2 LYS A 33 21.109 7.710 8.543 1.00 0.00 H ATOM 549 HB3 LYS A 33 20.180 8.672 7.370 1.00 0.00 H ATOM 550 HG2 LYS A 33 19.590 10.276 9.122 1.00 0.00 H ATOM 551 HG3 LYS A 33 20.458 9.299 10.330 1.00 0.00 H ATOM 552 HD2 LYS A 33 22.590 9.684 9.127 1.00 0.00 H ATOM 553 HD3 LYS A 33 21.732 10.634 7.892 1.00 0.00 H ATOM 554 HE2 LYS A 33 22.030 11.270 10.840 1.00 0.00 H ATOM 555 HE3 LYS A 33 20.935 12.145 9.744 1.00 0.00 H ATOM 556 HZ1 LYS A 33 23.886 11.962 9.474 1.00 0.00 H ATOM 557 HZ2 LYS A 33 22.841 12.799 8.428 1.00 0.00 H ATOM 558 HZ3 LYS A 33 23.013 13.306 10.040 1.00 0.00 H ATOM 559 H LYS A 33 19.510 6.308 7.060 1.00 0.00 H ATOM 560 N GLU A 34 17.336 8.841 7.496 1.00 30.10 N ATOM 561 CA GLU A 34 16.103 9.627 7.355 1.00 31.22 C ATOM 562 C GLU A 34 14.876 8.947 7.985 1.00 29.47 C ATOM 563 O GLU A 34 14.101 9.595 8.697 1.00 30.33 O ATOM 564 CB GLU A 34 15.839 9.970 5.888 1.00 32.33 C ATOM 565 CG GLU A 34 16.916 10.865 5.292 1.00 36.64 C ATOM 566 CD GLU A 34 17.122 12.126 6.087 1.00 43.04 C ATOM 567 OE1 GLU A 34 16.155 12.900 6.219 1.00 45.28 O ATOM 568 OE2 GLU A 34 18.262 12.369 6.555 1.00 48.47 O ATOM 569 HA GLU A 34 16.264 10.551 7.911 1.00 0.00 H ATOM 570 HB2 GLU A 34 15.798 9.044 5.315 1.00 0.00 H ATOM 571 HB3 GLU A 34 14.880 10.483 5.816 1.00 0.00 H ATOM 572 HG2 GLU A 34 17.855 10.312 5.264 1.00 0.00 H ATOM 573 HG3 GLU A 34 16.624 11.135 4.277 1.00 0.00 H ATOM 574 H GLU A 34 17.884 8.586 6.650 1.00 0.00 H ATOM 575 N LEU A 35 14.710 7.651 7.744 1.00 26.95 N ATOM 576 CA LEU A 35 13.559 6.924 8.284 1.00 26.52 C ATOM 577 C LEU A 35 13.565 6.968 9.809 1.00 26.61 C ATOM 578 O LEU A 35 12.560 7.279 10.440 1.00 26.68 O ATOM 579 CB LEU A 35 13.562 5.481 7.772 1.00 25.04 C ATOM 580 CG LEU A 35 12.353 4.598 8.124 1.00 24.63 C ATOM 581 CD1 LEU A 35 12.262 3.494 7.097 1.00 25.86 C ATOM 582 CD2 LEU A 35 12.486 3.988 9.497 1.00 25.81 C ATOM 583 HA LEU A 35 12.644 7.406 7.941 1.00 0.00 H ATOM 584 HB2 LEU A 35 13.632 5.521 6.685 1.00 0.00 H ATOM 585 HB3 LEU A 35 14.450 4.994 8.174 1.00 0.00 H ATOM 586 HG LEU A 35 11.456 5.217 8.122 1.00 0.00 H ATOM 587 HD21 LEU A 35 13.384 3.371 9.534 1.00 0.00 H ATOM 588 HD22 LEU A 35 12.559 4.782 10.240 1.00 0.00 H ATOM 589 HD23 LEU A 35 11.611 3.372 9.706 1.00 0.00 H ATOM 590 HD11 LEU A 35 12.133 3.931 6.107 1.00 0.00 H ATOM 591 HD12 LEU A 35 13.178 2.903 7.118 1.00 0.00 H ATOM 592 HD13 LEU A 35 11.410 2.854 7.327 1.00 0.00 H ATOM 593 H LEU A 35 15.408 7.145 7.163 1.00 0.00 H ATOM 594 N ILE A 36 14.706 6.660 10.407 1.00 27.51 N ATOM 595 CA ILE A 36 14.803 6.673 11.870 1.00 26.96 C ATOM 596 C ILE A 36 14.525 8.048 12.458 1.00 29.14 C ATOM 597 O ILE A 36 13.773 8.194 13.432 1.00 29.32 O ATOM 598 CB ILE A 36 16.172 6.121 12.334 1.00 27.60 C ATOM 599 CG1 ILE A 36 16.234 4.606 12.089 1.00 27.20 C ATOM 600 CG2 ILE A 36 16.454 6.413 13.836 1.00 28.88 C ATOM 601 CD1 ILE A 36 17.675 4.050 12.113 1.00 27.92 C ATOM 602 HA ILE A 36 14.024 6.013 12.252 1.00 0.00 H ATOM 603 HB ILE A 36 16.938 6.631 11.750 1.00 0.00 H ATOM 604 HG12 ILE A 36 15.655 4.104 12.864 1.00 0.00 H ATOM 605 HG13 ILE A 36 15.795 4.393 11.114 1.00 0.00 H ATOM 606 HD11 ILE A 36 18.264 4.536 11.335 1.00 0.00 H ATOM 607 HD12 ILE A 36 18.123 4.247 13.087 1.00 0.00 H ATOM 608 HD13 ILE A 36 17.651 2.975 11.934 1.00 0.00 H ATOM 609 HG21 ILE A 36 16.452 7.490 14.002 1.00 0.00 H ATOM 610 HG22 ILE A 36 15.680 5.949 14.447 1.00 0.00 H ATOM 611 HG23 ILE A 36 17.427 6.004 14.108 1.00 0.00 H ATOM 612 H ILE A 36 15.538 6.408 9.836 1.00 0.00 H ATOM 613 N ASN A 37 15.115 9.078 11.856 1.00 29.15 N ATOM 614 CA ASN A 37 14.992 10.434 12.388 1.00 32.60 C ATOM 615 C ASN A 37 13.609 11.030 12.217 1.00 33.28 C ATOM 616 O ASN A 37 13.148 11.778 13.070 1.00 35.44 O ATOM 617 CB ASN A 37 16.050 11.330 11.760 1.00 33.73 C ATOM 618 CG ASN A 37 17.421 11.053 12.308 1.00 35.34 C ATOM 619 OD1 ASN A 37 17.559 10.316 13.287 1.00 38.21 O ATOM 620 ND2 ASN A 37 18.451 11.629 11.689 1.00 37.78 N ATOM 621 HA ASN A 37 15.153 10.368 13.464 1.00 0.00 H ATOM 622 HB2 ASN A 37 16.061 11.161 10.683 1.00 0.00 H ATOM 623 HB3 ASN A 37 15.794 12.370 11.961 1.00 0.00 H ATOM 624 HD22 ASN A 37 18.286 12.243 10.866 1.00 0.00 H ATOM 625 HD21 ASN A 37 19.420 11.464 12.029 1.00 0.00 H ATOM 626 H ASN A 37 15.673 8.916 10.993 1.00 0.00 H ATOM 627 N ASN A 38 12.944 10.671 11.127 1.00 32.47 N ATOM 628 CA ASN A 38 11.631 11.220 10.833 1.00 33.09 C ATOM 629 C ASN A 38 10.441 10.382 11.293 1.00 31.78 C ATOM 630 O ASN A 38 9.363 10.947 11.528 1.00 32.45 O ATOM 631 CB ASN A 38 11.508 11.495 9.342 1.00 33.86 C ATOM 632 CG ASN A 38 12.363 12.649 8.904 1.00 36.42 C ATOM 633 OD1 ASN A 38 12.084 13.784 9.237 1.00 42.66 O ATOM 634 ND2 ASN A 38 13.409 12.364 8.166 1.00 41.26 N ATOM 635 HA ASN A 38 11.578 12.138 11.419 1.00 0.00 H ATOM 636 HB2 ASN A 38 11.814 10.604 8.794 1.00 0.00 H ATOM 637 HB3 ASN A 38 10.467 11.722 9.112 1.00 0.00 H ATOM 638 HD22 ASN A 38 13.608 11.377 7.905 1.00 0.00 H ATOM 639 HD21 ASN A 38 14.039 13.125 7.841 1.00 0.00 H ATOM 640 H ASN A 38 13.370 9.985 10.471 1.00 0.00 H ATOM 641 N GLU A 39 10.611 9.059 11.413 1.00 29.66 N ATOM 642 CA GLU A 39 9.489 8.155 11.704 1.00 28.26 C ATOM 643 C GLU A 39 9.639 7.394 13.018 1.00 28.19 C ATOM 644 O GLU A 39 8.701 6.731 13.445 1.00 29.10 O ATOM 645 CB GLU A 39 9.279 7.136 10.568 1.00 26.70 C ATOM 646 CG GLU A 39 9.301 7.766 9.155 1.00 27.48 C ATOM 647 CD GLU A 39 8.246 8.832 8.923 1.00 29.13 C ATOM 648 OE1 GLU A 39 7.210 8.828 9.628 1.00 28.76 O ATOM 649 OE2 GLU A 39 8.437 9.704 8.017 1.00 28.44 O ATOM 650 HA GLU A 39 8.621 8.808 11.793 1.00 0.00 H ATOM 651 HB2 GLU A 39 10.071 6.389 10.624 1.00 0.00 H ATOM 652 HB3 GLU A 39 8.314 6.652 10.714 1.00 0.00 H ATOM 653 HG2 GLU A 39 10.281 8.217 8.999 1.00 0.00 H ATOM 654 HG3 GLU A 39 9.148 6.971 8.425 1.00 0.00 H ATOM 655 H GLU A 39 11.564 8.660 11.297 1.00 0.00 H ATOM 656 N LEU A 40 10.810 7.476 13.639 1.00 29.17 N ATOM 657 CA LEU A 40 11.016 6.861 14.954 1.00 28.82 C ATOM 658 C LEU A 40 11.518 7.857 15.980 1.00 31.56 C ATOM 659 O LEU A 40 12.260 7.499 16.892 1.00 31.99 O ATOM 660 CB LEU A 40 11.965 5.644 14.841 1.00 27.69 C ATOM 661 CG LEU A 40 11.337 4.474 14.102 1.00 26.43 C ATOM 662 CD1 LEU A 40 12.404 3.504 13.621 1.00 25.48 C ATOM 663 CD2 LEU A 40 10.278 3.771 14.951 1.00 27.52 C ATOM 664 HA LEU A 40 10.046 6.511 15.307 1.00 0.00 H ATOM 665 HB2 LEU A 40 12.864 5.951 14.307 1.00 0.00 H ATOM 666 HB3 LEU A 40 12.234 5.318 15.845 1.00 0.00 H ATOM 667 HG LEU A 40 10.826 4.871 13.225 1.00 0.00 H ATOM 668 HD21 LEU A 40 10.738 3.393 15.864 1.00 0.00 H ATOM 669 HD22 LEU A 40 9.490 4.479 15.206 1.00 0.00 H ATOM 670 HD23 LEU A 40 9.854 2.941 14.386 1.00 0.00 H ATOM 671 HD11 LEU A 40 13.086 4.021 12.946 1.00 0.00 H ATOM 672 HD12 LEU A 40 12.959 3.122 14.478 1.00 0.00 H ATOM 673 HD13 LEU A 40 11.930 2.675 13.095 1.00 0.00 H ATOM 674 H LEU A 40 11.595 7.985 13.185 1.00 0.00 H ATOM 675 N SER A 41 11.102 9.109 15.841 1.00 31.19 N ATOM 676 CA SER A 41 11.610 10.164 16.707 1.00 34.29 C ATOM 677 C SER A 41 11.148 10.060 18.152 1.00 35.52 C ATOM 678 O SER A 41 11.772 10.655 19.038 1.00 38.59 O ATOM 679 CB SER A 41 11.293 11.552 16.134 1.00 35.06 C ATOM 680 OG SER A 41 9.933 11.862 16.264 1.00 36.17 O ATOM 681 HA SER A 41 12.691 10.024 16.729 1.00 0.00 H ATOM 682 HB2 SER A 41 11.561 11.569 15.078 1.00 0.00 H ATOM 683 HB3 SER A 41 11.880 12.299 16.669 1.00 0.00 H ATOM 684 HG SER A 41 9.394 11.190 15.776 1.00 0.00 H ATOM 685 H SER A 41 10.405 9.340 15.105 1.00 0.00 H ATOM 686 N HIS A 42 10.078 9.299 18.399 1.00 35.56 N ATOM 687 CA HIS A 42 9.584 9.129 19.773 1.00 37.44 C ATOM 688 C HIS A 42 10.121 7.864 20.417 1.00 37.64 C ATOM 689 O HIS A 42 10.075 7.736 21.640 1.00 40.24 O ATOM 690 CB HIS A 42 8.060 9.136 19.823 1.00 37.02 C ATOM 691 CG HIS A 42 7.461 10.386 19.263 1.00 37.74 C ATOM 692 ND1 HIS A 42 6.812 10.413 18.046 1.00 36.19 N ATOM 693 CD2 HIS A 42 7.466 11.660 19.719 1.00 40.42 C ATOM 694 CE1 HIS A 42 6.423 11.652 17.789 1.00 38.43 C ATOM 695 NE2 HIS A 42 6.804 12.425 18.792 1.00 40.75 N ATOM 696 HA HIS A 42 9.954 9.981 20.343 1.00 0.00 H ATOM 697 HB2 HIS A 42 7.690 8.286 19.249 1.00 0.00 H ATOM 698 HB3 HIS A 42 7.746 9.036 20.862 1.00 0.00 H ATOM 699 HD2 HIS A 42 7.912 12.013 20.649 1.00 0.00 H ATOM 700 HE1 HIS A 42 5.881 11.979 16.902 1.00 0.00 H ATOM 701 H HIS A 42 9.591 8.823 17.613 1.00 0.00 H ATOM 702 N PHE A 43 10.643 6.958 19.598 1.00 36.80 N ATOM 703 CA PHE A 43 11.158 5.683 20.103 1.00 37.14 C ATOM 704 C PHE A 43 12.684 5.607 20.124 1.00 38.60 C ATOM 705 O PHE A 43 13.252 4.941 20.989 1.00 40.54 O ATOM 706 CB PHE A 43 10.625 4.486 19.297 1.00 35.26 C ATOM 707 CG PHE A 43 9.123 4.255 19.393 1.00 35.10 C ATOM 708 CD1 PHE A 43 8.319 4.942 20.294 1.00 37.17 C ATOM 709 CD2 PHE A 43 8.535 3.273 18.594 1.00 34.19 C ATOM 710 CE1 PHE A 43 6.952 4.700 20.361 1.00 35.75 C ATOM 711 CE2 PHE A 43 7.153 3.020 18.673 1.00 32.47 C ATOM 712 CZ PHE A 43 6.386 3.727 19.560 1.00 31.76 C ATOM 713 HA PHE A 43 10.797 5.632 21.130 1.00 0.00 H ATOM 714 HB2 PHE A 43 10.875 4.647 18.248 1.00 0.00 H ATOM 715 HB3 PHE A 43 11.128 3.588 19.655 1.00 0.00 H ATOM 716 HD2 PHE A 43 9.151 2.698 17.903 1.00 0.00 H ATOM 717 HE2 PHE A 43 6.696 2.266 18.032 1.00 0.00 H ATOM 718 HZ PHE A 43 5.318 3.520 19.635 1.00 0.00 H ATOM 719 HE1 PHE A 43 6.328 5.277 21.044 1.00 0.00 H ATOM 720 HD1 PHE A 43 8.767 5.681 20.958 1.00 0.00 H ATOM 721 H PHE A 43 10.687 7.158 18.578 1.00 0.00 H ATOM 722 N LEU A 44 13.342 6.239 19.150 1.00 38.15 N ATOM 723 CA LEU A 44 14.796 6.177 19.043 1.00 38.29 C ATOM 724 C LEU A 44 15.419 7.568 19.091 1.00 40.59 C ATOM 725 O LEU A 44 14.793 8.558 18.691 1.00 40.25 O ATOM 726 CB LEU A 44 15.224 5.418 17.776 1.00 36.53 C ATOM 727 CG LEU A 44 14.834 3.933 17.654 1.00 35.44 C ATOM 728 CD1 LEU A 44 15.296 3.405 16.318 1.00 34.50 C ATOM 729 CD2 LEU A 44 15.381 3.055 18.806 1.00 40.60 C ATOM 730 HA LEU A 44 15.167 5.624 19.906 1.00 0.00 H ATOM 731 HB2 LEU A 44 14.788 5.939 16.923 1.00 0.00 H ATOM 732 HB3 LEU A 44 16.311 5.473 17.717 1.00 0.00 H ATOM 733 HG LEU A 44 13.748 3.877 17.728 1.00 0.00 H ATOM 734 HD21 LEU A 44 16.470 3.108 18.816 1.00 0.00 H ATOM 735 HD22 LEU A 44 14.990 3.419 19.756 1.00 0.00 H ATOM 736 HD23 LEU A 44 15.067 2.022 18.654 1.00 0.00 H ATOM 737 HD11 LEU A 44 14.821 3.975 15.520 1.00 0.00 H ATOM 738 HD12 LEU A 44 16.379 3.506 16.243 1.00 0.00 H ATOM 739 HD13 LEU A 44 15.021 2.354 16.229 1.00 0.00 H ATOM 740 H LEU A 44 12.805 6.789 18.450 1.00 0.00 H ATOM 741 N GLU A 45 16.636 7.639 19.631 1.00 42.15 N ATOM 742 CA GLU A 45 17.383 8.875 19.685 1.00 44.31 C ATOM 743 C GLU A 45 17.781 9.261 18.262 1.00 42.75 C ATOM 744 O GLU A 45 18.110 8.397 17.453 1.00 40.28 O ATOM 745 CB GLU A 45 18.619 8.687 20.571 1.00 47.62 C ATOM 746 CG GLU A 45 18.972 9.896 21.440 1.00 54.20 C ATOM 747 CD GLU A 45 19.606 9.507 22.779 1.00 60.92 C ATOM 748 OE1 GLU A 45 20.316 8.476 22.833 1.00 63.17 O ATOM 749 OE2 GLU A 45 19.394 10.233 23.782 1.00 65.42 O ATOM 750 HA GLU A 45 16.778 9.673 20.115 1.00 0.00 H ATOM 751 HB2 GLU A 45 18.440 7.836 21.229 1.00 0.00 H ATOM 752 HB3 GLU A 45 19.471 8.472 19.925 1.00 0.00 H ATOM 753 HG2 GLU A 45 19.674 10.524 20.892 1.00 0.00 H ATOM 754 HG3 GLU A 45 18.060 10.460 21.638 1.00 0.00 H ATOM 755 H GLU A 45 17.062 6.776 20.026 1.00 0.00 H ATOM 756 N GLU A 46 17.709 10.551 17.955 1.00 42.90 N ATOM 757 CA GLU A 46 18.091 11.059 16.637 1.00 42.41 C ATOM 758 C GLU A 46 19.525 10.679 16.294 1.00 42.44 C ATOM 759 O GLU A 46 20.417 10.762 17.137 1.00 43.95 O ATOM 760 CB GLU A 46 17.937 12.584 16.607 1.00 44.46 C ATOM 761 CG GLU A 46 18.064 13.202 15.223 1.00 44.57 C ATOM 762 CD GLU A 46 18.043 14.718 15.257 1.00 50.01 C ATOM 763 OE1 GLU A 46 17.672 15.286 16.304 1.00 53.37 O ATOM 764 OE2 GLU A 46 18.406 15.340 14.237 1.00 50.71 O ATOM 765 HA GLU A 46 17.433 10.608 15.894 1.00 0.00 H ATOM 766 HB2 GLU A 46 16.953 12.835 17.004 1.00 0.00 H ATOM 767 HB3 GLU A 46 18.707 13.017 17.246 1.00 0.00 H ATOM 768 HG2 GLU A 46 19.005 12.875 14.780 1.00 0.00 H ATOM 769 HG3 GLU A 46 17.234 12.855 14.608 1.00 0.00 H ATOM 770 H GLU A 46 17.370 11.222 18.674 1.00 0.00 H ATOM 771 N ILE A 47 19.741 10.258 15.054 1.00 41.22 N ATOM 772 CA ILE A 47 21.075 9.920 14.576 1.00 42.04 C ATOM 773 C ILE A 47 21.686 11.145 13.933 1.00 44.45 C ATOM 774 O ILE A 47 21.160 11.666 12.940 1.00 43.83 O ATOM 775 CB ILE A 47 21.020 8.781 13.534 1.00 40.15 C ATOM 776 CG1 ILE A 47 20.378 7.542 14.154 1.00 37.28 C ATOM 777 CG2 ILE A 47 22.429 8.501 12.974 1.00 41.59 C ATOM 778 CD1 ILE A 47 20.106 6.445 13.169 1.00 34.57 C ATOM 779 HA ILE A 47 21.675 9.586 15.422 1.00 0.00 H ATOM 780 HB ILE A 47 20.398 9.082 12.691 1.00 0.00 H ATOM 781 HG12 ILE A 47 21.047 7.156 14.923 1.00 0.00 H ATOM 782 HG13 ILE A 47 19.433 7.836 14.611 1.00 0.00 H ATOM 783 HD11 ILE A 47 19.428 6.811 12.398 1.00 0.00 H ATOM 784 HD12 ILE A 47 21.043 6.130 12.710 1.00 0.00 H ATOM 785 HD13 ILE A 47 19.650 5.600 13.685 1.00 0.00 H ATOM 786 HG21 ILE A 47 22.815 9.402 12.498 1.00 0.00 H ATOM 787 HG22 ILE A 47 23.091 8.207 13.789 1.00 0.00 H ATOM 788 HG23 ILE A 47 22.374 7.696 12.241 1.00 0.00 H ATOM 789 H ILE A 47 18.934 10.167 14.404 1.00 0.00 H ATOM 790 N LYS A 48 22.805 11.589 14.497 1.00 47.46 N ATOM 791 CA LYS A 48 23.514 12.773 14.006 1.00 50.66 C ATOM 792 C LYS A 48 24.875 12.435 13.402 1.00 51.86 C ATOM 793 O LYS A 48 25.372 13.188 12.563 1.00 53.81 O ATOM 794 CB LYS A 48 23.658 13.826 15.108 1.00 53.74 C ATOM 795 CG LYS A 48 22.326 14.401 15.561 1.00 55.09 C ATOM 796 CD LYS A 48 22.464 15.815 16.060 1.00 60.94 C ATOM 797 CE LYS A 48 21.095 16.473 16.221 1.00 62.29 C ATOM 798 NZ LYS A 48 21.218 17.868 16.733 1.00 65.93 N ATOM 799 HA LYS A 48 22.904 13.189 13.204 1.00 0.00 H ATOM 800 HB2 LYS A 48 24.147 13.366 15.966 1.00 0.00 H ATOM 801 HB3 LYS A 48 24.278 14.640 14.732 1.00 0.00 H ATOM 802 HG2 LYS A 48 21.633 14.390 14.720 1.00 0.00 H ATOM 803 HG3 LYS A 48 21.929 13.781 16.365 1.00 0.00 H ATOM 804 HD2 LYS A 48 22.971 15.805 17.025 1.00 0.00 H ATOM 805 HD3 LYS A 48 23.055 16.389 15.346 1.00 0.00 H ATOM 806 HE2 LYS A 48 20.501 15.888 16.923 1.00 0.00 H ATOM 807 HE3 LYS A 48 20.595 16.493 15.253 1.00 0.00 H ATOM 808 HZ1 LYS A 48 21.690 17.855 17.660 1.00 0.00 H ATOM 809 HZ2 LYS A 48 21.780 18.433 16.065 1.00 0.00 H ATOM 810 HZ3 LYS A 48 20.270 18.285 16.831 1.00 0.00 H ATOM 811 H LYS A 48 23.191 11.077 15.316 1.00 0.00 H ATOM 812 N GLU A 49 25.470 11.315 13.830 1.00 51.78 N ATOM 813 CA GLU A 49 26.798 10.881 13.355 1.00 53.15 C ATOM 814 C GLU A 49 26.765 9.695 12.400 1.00 50.44 C ATOM 815 O GLU A 49 25.973 8.765 12.577 1.00 48.88 O ATOM 816 CB GLU A 49 27.726 10.543 14.518 1.00 55.65 C ATOM 817 CG GLU A 49 27.035 10.217 15.827 1.00 58.45 C ATOM 818 CD GLU A 49 27.106 11.363 16.825 1.00 63.89 C ATOM 819 OE1 GLU A 49 26.146 11.535 17.616 1.00 65.59 O ATOM 820 OE2 GLU A 49 28.127 12.089 16.822 1.00 69.00 O ATOM 821 HA GLU A 49 27.179 11.738 12.800 1.00 0.00 H ATOM 822 HB2 GLU A 49 28.326 9.680 14.230 1.00 0.00 H ATOM 823 HB3 GLU A 49 28.380 11.399 14.687 1.00 0.00 H ATOM 824 HG2 GLU A 49 25.987 9.995 15.624 1.00 0.00 H ATOM 825 HG3 GLU A 49 27.512 9.341 16.266 1.00 0.00 H ATOM 826 H GLU A 49 24.974 10.725 14.528 1.00 0.00 H ATOM 827 N GLN A 50 27.645 9.729 11.400 1.00 50.92 N ATOM 828 CA GLN A 50 27.719 8.666 10.397 1.00 49.06 C ATOM 829 C GLN A 50 28.023 7.314 11.047 1.00 48.25 C ATOM 830 O GLN A 50 27.481 6.291 10.630 1.00 45.81 O ATOM 831 CB GLN A 50 28.741 9.009 9.308 1.00 50.67 C ATOM 832 CG GLN A 50 28.834 8.007 8.134 1.00 51.39 C ATOM 833 CD GLN A 50 27.545 7.885 7.309 1.00 52.22 C ATOM 834 OE1 GLN A 50 26.838 8.874 7.068 1.00 53.59 O ATOM 835 NE2 GLN A 50 27.241 6.663 6.865 1.00 49.15 N ATOM 836 HA GLN A 50 26.743 8.586 9.919 1.00 0.00 H ATOM 837 HB2 GLN A 50 28.478 9.983 8.897 1.00 0.00 H ATOM 838 HB3 GLN A 50 29.723 9.067 9.777 1.00 0.00 H ATOM 839 HG2 GLN A 50 29.636 8.331 7.470 1.00 0.00 H ATOM 840 HG3 GLN A 50 29.075 7.025 8.540 1.00 0.00 H ATOM 841 HE22 GLN A 50 27.861 5.859 7.090 1.00 0.00 H ATOM 842 HE21 GLN A 50 26.384 6.515 6.295 1.00 0.00 H ATOM 843 H GLN A 50 28.299 10.535 11.330 1.00 0.00 H ATOM 844 N GLU A 51 28.873 7.316 12.073 1.00 50.15 N ATOM 845 CA GLU A 51 29.169 6.081 12.795 1.00 50.39 C ATOM 846 C GLU A 51 27.961 5.437 13.509 1.00 48.03 C ATOM 847 O GLU A 51 27.926 4.218 13.676 1.00 47.42 O ATOM 848 CB GLU A 51 30.356 6.264 13.753 1.00 53.62 C ATOM 849 CG GLU A 51 30.016 6.786 15.141 1.00 58.08 C ATOM 850 CD GLU A 51 31.198 6.692 16.101 1.00 64.61 C ATOM 851 OE1 GLU A 51 31.535 7.714 16.746 1.00 69.00 O ATOM 852 OE2 GLU A 51 31.805 5.598 16.203 1.00 66.46 O ATOM 853 HA GLU A 51 29.447 5.365 12.021 1.00 0.00 H ATOM 854 HB2 GLU A 51 30.843 5.296 13.870 1.00 0.00 H ATOM 855 HB3 GLU A 51 31.051 6.966 13.293 1.00 0.00 H ATOM 856 HG2 GLU A 51 29.713 7.830 15.059 1.00 0.00 H ATOM 857 HG3 GLU A 51 29.190 6.200 15.543 1.00 0.00 H ATOM 858 H GLU A 51 29.330 8.204 12.362 1.00 0.00 H ATOM 859 N VAL A 52 26.986 6.242 13.931 1.00 46.80 N ATOM 860 CA VAL A 52 25.774 5.702 14.548 1.00 44.42 C ATOM 861 C VAL A 52 24.916 4.976 13.519 1.00 41.04 C ATOM 862 O VAL A 52 24.433 3.876 13.798 1.00 38.53 O ATOM 863 CB VAL A 52 24.955 6.772 15.336 1.00 45.21 C ATOM 864 CG1 VAL A 52 23.603 6.226 15.767 1.00 43.23 C ATOM 865 CG2 VAL A 52 25.747 7.246 16.545 1.00 48.84 C ATOM 866 HA VAL A 52 26.100 4.975 15.292 1.00 0.00 H ATOM 867 HB VAL A 52 24.775 7.619 14.674 1.00 0.00 H ATOM 868 HG11 VAL A 52 23.033 5.933 14.885 1.00 0.00 H ATOM 869 HG12 VAL A 52 23.751 5.359 16.411 1.00 0.00 H ATOM 870 HG13 VAL A 52 23.059 6.997 16.313 1.00 0.00 H ATOM 871 HG21 VAL A 52 25.953 6.398 17.198 1.00 0.00 H ATOM 872 HG22 VAL A 52 26.687 7.686 16.212 1.00 0.00 H ATOM 873 HG23 VAL A 52 25.167 7.992 17.088 1.00 0.00 H ATOM 874 H VAL A 52 27.088 7.271 13.820 1.00 0.00 H ATOM 875 N VAL A 53 24.733 5.577 12.340 1.00 39.44 N ATOM 876 CA VAL A 53 24.044 4.873 11.271 1.00 37.48 C ATOM 877 C VAL A 53 24.858 3.693 10.736 1.00 36.94 C ATOM 878 O VAL A 53 24.277 2.681 10.403 1.00 35.64 O ATOM 879 CB VAL A 53 23.444 5.778 10.141 1.00 36.80 C ATOM 880 CG1 VAL A 53 24.511 6.320 9.194 1.00 38.35 C ATOM 881 CG2 VAL A 53 22.339 5.026 9.385 1.00 36.25 C ATOM 882 HA VAL A 53 23.156 4.459 11.749 1.00 0.00 H ATOM 883 HB VAL A 53 23.000 6.650 10.621 1.00 0.00 H ATOM 884 HG11 VAL A 53 25.226 6.919 9.759 1.00 0.00 H ATOM 885 HG12 VAL A 53 25.029 5.488 8.717 1.00 0.00 H ATOM 886 HG13 VAL A 53 24.038 6.940 8.432 1.00 0.00 H ATOM 887 HG21 VAL A 53 22.757 4.125 8.936 1.00 0.00 H ATOM 888 HG22 VAL A 53 21.546 4.752 10.081 1.00 0.00 H ATOM 889 HG23 VAL A 53 21.933 5.669 8.604 1.00 0.00 H ATOM 890 H VAL A 53 25.082 6.545 12.188 1.00 0.00 H ATOM 891 N ASP A 54 26.185 3.798 10.706 1.00 38.89 N ATOM 892 CA ASP A 54 27.002 2.652 10.285 1.00 39.07 C ATOM 893 C ASP A 54 26.727 1.447 11.180 1.00 38.46 C ATOM 894 O ASP A 54 26.626 0.320 10.694 1.00 37.69 O ATOM 895 CB ASP A 54 28.491 2.981 10.298 1.00 41.78 C ATOM 896 CG ASP A 54 28.898 3.965 9.217 1.00 43.59 C ATOM 897 OD1 ASP A 54 28.146 4.156 8.229 1.00 44.81 O ATOM 898 OD2 ASP A 54 29.987 4.550 9.370 1.00 46.74 O ATOM 899 HA ASP A 54 26.723 2.412 9.259 1.00 0.00 H ATOM 900 HB2 ASP A 54 28.743 3.409 11.268 1.00 0.00 H ATOM 901 HB3 ASP A 54 29.051 2.057 10.154 1.00 0.00 H ATOM 902 H ASP A 54 26.643 4.691 10.980 1.00 0.00 H ATOM 903 N LYS A 55 26.593 1.695 12.480 1.00 38.79 N ATOM 904 CA LYS A 55 26.393 0.625 13.467 1.00 39.40 C ATOM 905 C LYS A 55 24.995 0.019 13.339 1.00 36.53 C ATOM 906 O LYS A 55 24.812 -1.204 13.462 1.00 35.72 O ATOM 907 CB LYS A 55 26.660 1.167 14.882 1.00 41.04 C ATOM 908 CG LYS A 55 26.059 0.362 16.044 1.00 45.22 C ATOM 909 CD LYS A 55 25.913 1.242 17.305 1.00 51.25 C ATOM 910 CE LYS A 55 26.993 0.984 18.334 1.00 56.30 C ATOM 911 NZ LYS A 55 26.594 -0.163 19.204 1.00 59.01 N ATOM 912 HA LYS A 55 27.103 -0.179 13.274 1.00 0.00 H ATOM 913 HB2 LYS A 55 27.740 1.203 15.026 1.00 0.00 H ATOM 914 HB3 LYS A 55 26.254 2.177 14.933 1.00 0.00 H ATOM 915 HG2 LYS A 55 25.077 -0.009 15.751 1.00 0.00 H ATOM 916 HG3 LYS A 55 26.712 -0.481 16.270 1.00 0.00 H ATOM 917 HD2 LYS A 55 25.961 2.289 17.006 1.00 0.00 H ATOM 918 HD3 LYS A 55 24.944 1.039 17.760 1.00 0.00 H ATOM 919 HE2 LYS A 55 27.130 1.874 18.948 1.00 0.00 H ATOM 920 HE3 LYS A 55 27.928 0.747 17.827 1.00 0.00 H ATOM 921 HZ1 LYS A 55 25.702 0.065 19.688 1.00 0.00 H ATOM 922 HZ2 LYS A 55 26.465 -1.012 18.618 1.00 0.00 H ATOM 923 HZ3 LYS A 55 27.338 -0.337 19.909 1.00 0.00 H ATOM 924 H LYS A 55 26.631 2.681 12.809 1.00 0.00 H ATOM 925 N VAL A 56 23.996 0.862 13.081 1.00 34.12 N ATOM 926 CA VAL A 56 22.657 0.348 12.896 1.00 31.58 C ATOM 927 C VAL A 56 22.619 -0.498 11.648 1.00 29.89 C ATOM 928 O VAL A 56 22.131 -1.619 11.697 1.00 29.51 O ATOM 929 CB VAL A 56 21.578 1.444 12.856 1.00 31.79 C ATOM 930 CG1 VAL A 56 20.214 0.794 12.708 1.00 31.01 C ATOM 931 CG2 VAL A 56 21.648 2.215 14.165 1.00 34.38 C ATOM 932 HA VAL A 56 22.417 -0.261 13.768 1.00 0.00 H ATOM 933 HB VAL A 56 21.739 2.119 12.015 1.00 0.00 H ATOM 934 HG11 VAL A 56 20.186 0.217 11.783 1.00 0.00 H ATOM 935 HG12 VAL A 56 20.034 0.133 13.556 1.00 0.00 H ATOM 936 HG13 VAL A 56 19.446 1.567 12.679 1.00 0.00 H ATOM 937 HG21 VAL A 56 21.465 1.534 14.996 1.00 0.00 H ATOM 938 HG22 VAL A 56 22.637 2.661 14.270 1.00 0.00 H ATOM 939 HG23 VAL A 56 20.892 3.000 14.164 1.00 0.00 H ATOM 940 H VAL A 56 24.178 1.884 13.013 1.00 0.00 H ATOM 941 N MET A 57 23.188 -0.005 10.549 1.00 29.09 N ATOM 942 CA MET A 57 23.235 -0.811 9.335 1.00 28.94 C ATOM 943 C MET A 57 23.995 -2.118 9.536 1.00 29.27 C ATOM 944 O MET A 57 23.589 -3.154 9.028 1.00 29.56 O ATOM 945 CB MET A 57 23.800 -0.016 8.143 1.00 29.20 C ATOM 946 CG MET A 57 23.651 -0.754 6.790 1.00 29.44 C ATOM 947 SD MET A 57 21.944 -1.084 6.260 1.00 28.96 S ATOM 948 CE MET A 57 21.539 0.505 5.510 1.00 29.55 C ATOM 949 HA MET A 57 22.204 -1.074 9.099 1.00 0.00 H ATOM 950 HB2 MET A 57 23.271 0.935 8.079 1.00 0.00 H ATOM 951 HB3 MET A 57 24.859 0.170 8.321 1.00 0.00 H ATOM 952 HG2 MET A 57 24.168 -1.710 6.870 1.00 0.00 H ATOM 953 HG3 MET A 57 24.130 -0.147 6.022 1.00 0.00 H ATOM 954 HE1 MET A 57 21.627 1.292 6.259 1.00 0.00 H ATOM 955 HE2 MET A 57 22.228 0.704 4.689 1.00 0.00 H ATOM 956 HE3 MET A 57 20.518 0.476 5.130 1.00 0.00 H ATOM 957 H MET A 57 23.597 0.951 10.557 1.00 0.00 H ATOM 958 N GLU A 58 25.108 -2.081 10.262 1.00 31.20 N ATOM 959 CA GLU A 58 25.883 -3.302 10.510 1.00 31.22 C ATOM 960 C GLU A 58 24.992 -4.341 11.186 1.00 30.65 C ATOM 961 O GLU A 58 25.064 -5.519 10.859 1.00 30.36 O ATOM 962 CB GLU A 58 27.142 -3.015 11.349 1.00 33.08 C ATOM 963 CG GLU A 58 28.163 -4.184 11.435 1.00 35.59 C ATOM 964 CD GLU A 58 27.850 -5.269 12.489 1.00 37.73 C ATOM 965 OE1 GLU A 58 27.063 -5.048 13.435 1.00 36.14 O ATOM 966 OE2 GLU A 58 28.436 -6.362 12.384 1.00 37.86 O ATOM 967 HA GLU A 58 26.227 -3.697 9.554 1.00 0.00 H ATOM 968 HB2 GLU A 58 27.650 -2.155 10.912 1.00 0.00 H ATOM 969 HB3 GLU A 58 26.823 -2.770 12.362 1.00 0.00 H ATOM 970 HG2 GLU A 58 28.203 -4.667 10.459 1.00 0.00 H ATOM 971 HG3 GLU A 58 29.139 -3.760 11.670 1.00 0.00 H ATOM 972 H GLU A 58 25.433 -1.176 10.659 1.00 0.00 H ATOM 973 N THR A 59 24.177 -3.911 12.148 1.00 29.90 N ATOM 974 CA THR A 59 23.279 -4.826 12.846 1.00 30.87 C ATOM 975 C THR A 59 22.232 -5.394 11.876 1.00 28.89 C ATOM 976 O THR A 59 21.983 -6.604 11.866 1.00 29.09 O ATOM 977 CB THR A 59 22.630 -4.149 14.090 1.00 31.04 C ATOM 978 OG1 THR A 59 23.646 -3.814 15.037 1.00 34.91 O ATOM 979 CG2 THR A 59 21.631 -5.074 14.772 1.00 32.53 C ATOM 980 HA THR A 59 23.865 -5.664 13.223 1.00 0.00 H ATOM 981 HB THR A 59 22.109 -3.256 13.745 1.00 0.00 H ATOM 982 HG1 THR A 59 24.118 -4.638 15.318 1.00 0.00 H ATOM 983 HG23 THR A 59 20.846 -5.343 14.066 1.00 0.00 H ATOM 984 HG21 THR A 59 22.143 -5.976 15.108 1.00 0.00 H ATOM 985 HG22 THR A 59 21.192 -4.564 15.629 1.00 0.00 H ATOM 986 H THR A 59 24.181 -2.904 12.407 1.00 0.00 H ATOM 987 N LEU A 60 21.676 -4.526 11.039 1.00 29.29 N ATOM 988 CA LEU A 60 20.550 -4.879 10.184 1.00 29.22 C ATOM 989 C LEU A 60 20.921 -5.655 8.929 1.00 29.99 C ATOM 990 O LEU A 60 20.103 -6.439 8.421 1.00 29.28 O ATOM 991 CB LEU A 60 19.771 -3.634 9.770 1.00 28.35 C ATOM 992 CG LEU A 60 19.083 -2.840 10.859 1.00 30.32 C ATOM 993 CD1 LEU A 60 18.179 -1.843 10.149 1.00 28.70 C ATOM 994 CD2 LEU A 60 18.268 -3.784 11.772 1.00 34.27 C ATOM 995 HA LEU A 60 19.939 -5.540 10.799 1.00 0.00 H ATOM 996 HB2 LEU A 60 20.470 -2.964 9.270 1.00 0.00 H ATOM 997 HB3 LEU A 60 19.004 -3.950 9.063 1.00 0.00 H ATOM 998 HG LEU A 60 19.799 -2.324 11.499 1.00 0.00 H ATOM 999 HD21 LEU A 60 17.516 -4.302 11.177 1.00 0.00 H ATOM 1000 HD22 LEU A 60 18.937 -4.513 12.229 1.00 0.00 H ATOM 1001 HD23 LEU A 60 17.778 -3.200 12.551 1.00 0.00 H ATOM 1002 HD11 LEU A 60 18.783 -1.196 9.513 1.00 0.00 H ATOM 1003 HD12 LEU A 60 17.455 -2.382 9.538 1.00 0.00 H ATOM 1004 HD13 LEU A 60 17.654 -1.239 10.889 1.00 0.00 H ATOM 1005 H LEU A 60 22.058 -3.560 10.992 1.00 0.00 H ATOM 1006 N ASP A 61 22.142 -5.450 8.434 1.00 30.34 N ATOM 1007 CA ASP A 61 22.491 -5.948 7.105 1.00 30.79 C ATOM 1008 C ASP A 61 22.991 -7.398 7.127 1.00 31.42 C ATOM 1009 O ASP A 61 24.172 -7.633 7.257 1.00 34.05 O ATOM 1010 CB ASP A 61 23.497 -4.992 6.444 1.00 30.93 C ATOM 1011 CG ASP A 61 23.974 -5.477 5.103 1.00 30.94 C ATOM 1012 OD1 ASP A 61 23.193 -6.189 4.429 1.00 29.41 O ATOM 1013 OD2 ASP A 61 25.134 -5.157 4.738 1.00 30.90 O ATOM 1014 HA ASP A 61 21.584 -5.969 6.501 1.00 0.00 H ATOM 1015 HB2 ASP A 61 23.019 -4.021 6.313 1.00 0.00 H ATOM 1016 HB3 ASP A 61 24.359 -4.885 7.102 1.00 0.00 H ATOM 1017 H ASP A 61 22.849 -4.934 8.996 1.00 0.00 H ATOM 1018 N SER A 62 22.099 -8.372 6.985 1.00 30.64 N ATOM 1019 CA SER A 62 22.489 -9.771 7.156 1.00 31.81 C ATOM 1020 C SER A 62 23.110 -10.401 5.914 1.00 32.72 C ATOM 1021 O SER A 62 23.637 -11.490 5.985 1.00 34.64 O ATOM 1022 CB SER A 62 21.309 -10.615 7.628 1.00 32.01 C ATOM 1023 OG SER A 62 20.773 -10.075 8.820 1.00 33.82 O ATOM 1024 HA SER A 62 23.266 -9.759 7.920 1.00 0.00 H ATOM 1025 HB2 SER A 62 21.646 -11.635 7.813 1.00 0.00 H ATOM 1026 HB3 SER A 62 20.539 -10.622 6.857 1.00 0.00 H ATOM 1027 HG SER A 62 20.009 -10.629 9.118 1.00 0.00 H ATOM 1028 H SER A 62 21.113 -8.137 6.750 1.00 0.00 H ATOM 1029 N ASP A 63 23.015 -9.738 4.761 1.00 32.18 N ATOM 1030 CA ASP A 63 23.607 -10.327 3.556 1.00 33.79 C ATOM 1031 C ASP A 63 24.797 -9.555 3.026 1.00 34.83 C ATOM 1032 O ASP A 63 25.300 -9.849 1.951 1.00 37.59 O ATOM 1033 CB ASP A 63 22.554 -10.607 2.462 1.00 32.68 C ATOM 1034 CG ASP A 63 21.915 -9.342 1.914 1.00 33.73 C ATOM 1035 OD1 ASP A 63 22.294 -8.253 2.355 1.00 31.38 O ATOM 1036 OD2 ASP A 63 21.000 -9.460 1.065 1.00 36.91 O ATOM 1037 HA ASP A 63 24.004 -11.293 3.869 1.00 0.00 H ATOM 1038 HB2 ASP A 63 23.038 -11.136 1.641 1.00 0.00 H ATOM 1039 HB3 ASP A 63 21.771 -11.236 2.886 1.00 0.00 H ATOM 1040 H ASP A 63 22.530 -8.819 4.717 1.00 0.00 H ATOM 1041 N GLY A 64 25.241 -8.563 3.795 1.00 34.52 N ATOM 1042 CA GLY A 64 26.504 -7.907 3.548 1.00 34.98 C ATOM 1043 C GLY A 64 26.580 -6.975 2.349 1.00 34.86 C ATOM 1044 O GLY A 64 27.694 -6.666 1.884 1.00 36.22 O ATOM 1045 HA3 GLY A 64 27.256 -8.684 3.408 1.00 0.00 H ATOM 1046 HA2 GLY A 64 26.749 -7.322 4.435 1.00 0.00 H ATOM 1047 H GLY A 64 24.660 -8.251 4.599 1.00 0.00 H ATOM 1048 N ASP A 65 25.427 -6.521 1.847 1.00 33.07 N ATOM 1049 CA ASP A 65 25.424 -5.603 0.684 1.00 33.51 C ATOM 1050 C ASP A 65 25.434 -4.122 1.052 1.00 32.53 C ATOM 1051 O ASP A 65 25.422 -3.231 0.174 1.00 33.66 O ATOM 1052 CB ASP A 65 24.283 -5.940 -0.294 1.00 32.40 C ATOM 1053 CG ASP A 65 22.923 -5.580 0.233 1.00 32.31 C ATOM 1054 OD1 ASP A 65 22.794 -5.213 1.418 1.00 32.02 O ATOM 1055 OD2 ASP A 65 21.945 -5.679 -0.546 1.00 34.62 O ATOM 1056 HA ASP A 65 26.374 -5.774 0.177 1.00 0.00 H ATOM 1057 HB2 ASP A 65 24.450 -5.394 -1.223 1.00 0.00 H ATOM 1058 HB3 ASP A 65 24.304 -7.011 -0.495 1.00 0.00 H ATOM 1059 H ASP A 65 24.526 -6.814 2.276 1.00 0.00 H ATOM 1060 N GLY A 66 25.467 -3.855 2.345 1.00 31.82 N ATOM 1061 CA GLY A 66 25.549 -2.495 2.844 1.00 31.71 C ATOM 1062 C GLY A 66 24.215 -1.764 2.906 1.00 30.54 C ATOM 1063 O GLY A 66 24.168 -0.589 3.303 1.00 30.31 O ATOM 1064 HA3 GLY A 66 26.216 -1.932 2.191 1.00 0.00 H ATOM 1065 HA2 GLY A 66 25.968 -2.526 3.850 1.00 0.00 H ATOM 1066 H GLY A 66 25.433 -4.642 3.025 1.00 0.00 H ATOM 1067 N GLU A 67 23.147 -2.454 2.521 1.00 28.97 N ATOM 1068 CA GLU A 67 21.811 -1.870 2.519 1.00 27.90 C ATOM 1069 C GLU A 67 20.826 -2.751 3.264 1.00 27.21 C ATOM 1070 O GLU A 67 21.111 -3.920 3.566 1.00 28.29 O ATOM 1071 CB GLU A 67 21.328 -1.655 1.092 1.00 27.68 C ATOM 1072 CG GLU A 67 22.282 -0.821 0.245 1.00 28.96 C ATOM 1073 CD GLU A 67 21.608 -0.099 -0.881 1.00 29.01 C ATOM 1074 OE1 GLU A 67 20.402 0.129 -0.802 1.00 29.81 O ATOM 1075 OE2 GLU A 67 22.315 0.277 -1.850 1.00 31.62 O ATOM 1076 HA GLU A 67 21.869 -0.908 3.029 1.00 0.00 H ATOM 1077 HB2 GLU A 67 21.207 -2.629 0.618 1.00 0.00 H ATOM 1078 HB3 GLU A 67 20.364 -1.148 1.127 1.00 0.00 H ATOM 1079 HG2 GLU A 67 22.761 -0.084 0.890 1.00 0.00 H ATOM 1080 HG3 GLU A 67 23.040 -1.483 -0.174 1.00 0.00 H ATOM 1081 H GLU A 67 23.267 -3.440 2.212 1.00 0.00 H ATOM 1082 N CYS A 68 19.666 -2.182 3.570 1.00 25.98 N ATOM 1083 CA CYS A 68 18.650 -2.919 4.312 1.00 25.06 C ATOM 1084 C CYS A 68 17.480 -3.202 3.384 1.00 24.31 C ATOM 1085 O CYS A 68 16.780 -2.267 2.964 1.00 25.28 O ATOM 1086 CB CYS A 68 18.238 -2.109 5.532 1.00 25.35 C ATOM 1087 SG CYS A 68 16.851 -2.824 6.483 1.00 25.58 S ATOM 1088 HA CYS A 68 19.036 -3.874 4.668 1.00 0.00 H ATOM 1089 HB2 CYS A 68 17.945 -1.114 5.197 1.00 0.00 H ATOM 1090 HB3 CYS A 68 19.100 -2.029 6.195 1.00 0.00 H ATOM 1091 HG CYS A 68 15.740 -2.921 5.670 1.00 0.00 H ATOM 1092 H CYS A 68 19.480 -1.201 3.278 1.00 0.00 H ATOM 1093 N ASP A 69 17.290 -4.481 3.026 1.00 24.73 N ATOM 1094 CA ASP A 69 16.177 -4.872 2.151 1.00 23.91 C ATOM 1095 C ASP A 69 14.893 -5.065 2.959 1.00 23.78 C ATOM 1096 O ASP A 69 14.859 -4.745 4.145 1.00 23.12 O ATOM 1097 CB ASP A 69 16.549 -6.070 1.260 1.00 26.49 C ATOM 1098 CG ASP A 69 16.780 -7.357 2.042 1.00 27.64 C ATOM 1099 OD1 ASP A 69 16.326 -7.479 3.205 1.00 27.44 O ATOM 1100 OD2 ASP A 69 17.377 -8.288 1.445 1.00 32.49 O ATOM 1101 HA ASP A 69 15.973 -4.058 1.456 1.00 0.00 H ATOM 1102 HB2 ASP A 69 15.739 -6.237 0.550 1.00 0.00 H ATOM 1103 HB3 ASP A 69 17.462 -5.827 0.717 1.00 0.00 H ATOM 1104 H ASP A 69 17.944 -5.210 3.375 1.00 0.00 H ATOM 1105 N PHE A 70 13.830 -5.543 2.311 1.00 23.35 N ATOM 1106 CA PHE A 70 12.561 -5.602 3.013 1.00 23.52 C ATOM 1107 C PHE A 70 12.585 -6.610 4.177 1.00 23.67 C ATOM 1108 O PHE A 70 12.095 -6.309 5.268 1.00 23.81 O ATOM 1109 CB PHE A 70 11.414 -5.913 2.073 1.00 23.17 C ATOM 1110 CG PHE A 70 10.079 -5.730 2.730 1.00 25.11 C ATOM 1111 CD1 PHE A 70 9.534 -4.456 2.900 1.00 28.12 C ATOM 1112 CD2 PHE A 70 9.381 -6.819 3.209 1.00 26.98 C ATOM 1113 CE1 PHE A 70 8.299 -4.278 3.528 1.00 29.74 C ATOM 1114 CE2 PHE A 70 8.132 -6.632 3.845 1.00 27.81 C ATOM 1115 CZ PHE A 70 7.613 -5.373 4.005 1.00 30.88 C ATOM 1116 HA PHE A 70 12.400 -4.610 3.435 1.00 0.00 H ATOM 1117 HB2 PHE A 70 11.476 -5.248 1.211 1.00 0.00 H ATOM 1118 HB3 PHE A 70 11.503 -6.947 1.740 1.00 0.00 H ATOM 1119 HD2 PHE A 70 9.792 -7.822 3.097 1.00 0.00 H ATOM 1120 HE2 PHE A 70 7.577 -7.496 4.211 1.00 0.00 H ATOM 1121 HZ PHE A 70 6.657 -5.239 4.510 1.00 0.00 H ATOM 1122 HE1 PHE A 70 7.880 -3.278 3.640 1.00 0.00 H ATOM 1123 HD1 PHE A 70 10.081 -3.586 2.537 1.00 0.00 H ATOM 1124 H PHE A 70 13.908 -5.866 1.326 1.00 0.00 H ATOM 1125 N GLN A 71 13.208 -7.757 3.955 1.00 25.05 N ATOM 1126 CA GLN A 71 13.283 -8.794 5.018 1.00 26.09 C ATOM 1127 C GLN A 71 14.099 -8.236 6.191 1.00 25.31 C ATOM 1128 O GLN A 71 13.752 -8.447 7.374 1.00 24.27 O ATOM 1129 CB GLN A 71 13.912 -10.061 4.449 1.00 28.31 C ATOM 1130 CG GLN A 71 14.195 -11.197 5.430 1.00 33.67 C ATOM 1131 CD GLN A 71 14.966 -12.370 4.790 1.00 41.45 C ATOM 1132 OE1 GLN A 71 15.659 -12.223 3.768 1.00 44.87 O ATOM 1133 NE2 GLN A 71 14.861 -13.546 5.416 1.00 46.99 N ATOM 1134 HA GLN A 71 12.287 -9.050 5.378 1.00 0.00 H ATOM 1135 HB2 GLN A 71 13.239 -10.447 3.684 1.00 0.00 H ATOM 1136 HB3 GLN A 71 14.859 -9.780 3.989 1.00 0.00 H ATOM 1137 HG2 GLN A 71 14.786 -10.803 6.257 1.00 0.00 H ATOM 1138 HG3 GLN A 71 13.245 -11.572 5.810 1.00 0.00 H ATOM 1139 HE22 GLN A 71 14.272 -13.630 6.269 1.00 0.00 H ATOM 1140 HE21 GLN A 71 15.369 -14.377 5.051 1.00 0.00 H ATOM 1141 H GLN A 71 13.648 -7.934 3.030 1.00 0.00 H ATOM 1142 N GLU A 72 15.193 -7.545 5.869 1.00 23.30 N ATOM 1143 CA GLU A 72 16.038 -6.943 6.922 1.00 23.60 C ATOM 1144 C GLU A 72 15.294 -5.844 7.667 1.00 22.21 C ATOM 1145 O GLU A 72 15.445 -5.670 8.890 1.00 23.07 O ATOM 1146 CB GLU A 72 17.389 -6.478 6.350 1.00 24.12 C ATOM 1147 CG GLU A 72 18.209 -7.643 5.799 1.00 24.93 C ATOM 1148 CD GLU A 72 19.326 -7.190 4.894 1.00 25.44 C ATOM 1149 OE1 GLU A 72 19.222 -6.087 4.298 1.00 25.02 O ATOM 1150 OE2 GLU A 72 20.321 -7.936 4.766 1.00 28.01 O ATOM 1151 HA GLU A 72 16.265 -7.711 7.662 1.00 0.00 H ATOM 1152 HB2 GLU A 72 17.205 -5.766 5.546 1.00 0.00 H ATOM 1153 HB3 GLU A 72 17.958 -5.991 7.142 1.00 0.00 H ATOM 1154 HG2 GLU A 72 18.639 -8.194 6.636 1.00 0.00 H ATOM 1155 HG3 GLU A 72 17.547 -8.300 5.235 1.00 0.00 H ATOM 1156 H GLU A 72 15.454 -7.429 4.869 1.00 0.00 H ATOM 1157 N PHE A 73 14.427 -5.129 6.952 1.00 21.82 N ATOM 1158 CA PHE A 73 13.596 -4.125 7.589 1.00 22.44 C ATOM 1159 C PHE A 73 12.566 -4.772 8.515 1.00 22.57 C ATOM 1160 O PHE A 73 12.318 -4.245 9.587 1.00 21.85 O ATOM 1161 CB PHE A 73 12.897 -3.254 6.540 1.00 22.93 C ATOM 1162 CG PHE A 73 12.042 -2.166 7.140 1.00 22.17 C ATOM 1163 CD1 PHE A 73 12.628 -1.129 7.855 1.00 24.28 C ATOM 1164 CD2 PHE A 73 10.646 -2.193 6.997 1.00 25.14 C ATOM 1165 CE1 PHE A 73 11.858 -0.104 8.440 1.00 24.42 C ATOM 1166 CE2 PHE A 73 9.858 -1.164 7.562 1.00 24.97 C ATOM 1167 CZ PHE A 73 10.456 -0.124 8.270 1.00 25.22 C ATOM 1168 HA PHE A 73 14.244 -3.489 8.192 1.00 0.00 H ATOM 1169 HB2 PHE A 73 13.658 -2.790 5.913 1.00 0.00 H ATOM 1170 HB3 PHE A 73 12.263 -3.894 5.926 1.00 0.00 H ATOM 1171 HD2 PHE A 73 10.170 -3.007 6.451 1.00 0.00 H ATOM 1172 HE2 PHE A 73 8.775 -1.185 7.443 1.00 0.00 H ATOM 1173 HZ PHE A 73 9.843 0.673 8.692 1.00 0.00 H ATOM 1174 HE1 PHE A 73 12.336 0.690 9.014 1.00 0.00 H ATOM 1175 HD1 PHE A 73 13.712 -1.108 7.966 1.00 0.00 H ATOM 1176 H PHE A 73 14.345 -5.292 5.928 1.00 0.00 H ATOM 1177 N MET A 74 11.987 -5.886 8.102 1.00 22.73 N ATOM 1178 CA MET A 74 11.065 -6.680 8.956 1.00 22.77 C ATOM 1179 C MET A 74 11.750 -7.010 10.273 1.00 23.54 C ATOM 1180 O MET A 74 11.141 -6.952 11.344 1.00 24.15 O ATOM 1181 CB MET A 74 10.652 -7.990 8.269 1.00 23.70 C ATOM 1182 CG MET A 74 9.604 -7.854 7.148 1.00 23.49 C ATOM 1183 SD MET A 74 8.067 -7.012 7.621 1.00 23.21 S ATOM 1184 CE MET A 74 8.506 -5.286 7.389 1.00 25.34 C ATOM 1185 HA MET A 74 10.170 -6.082 9.130 1.00 0.00 H ATOM 1186 HB2 MET A 74 11.547 -8.440 7.839 1.00 0.00 H ATOM 1187 HB3 MET A 74 10.244 -8.654 9.031 1.00 0.00 H ATOM 1188 HG2 MET A 74 9.347 -8.856 6.803 1.00 0.00 H ATOM 1189 HG3 MET A 74 10.057 -7.294 6.329 1.00 0.00 H ATOM 1190 HE1 MET A 74 9.348 -5.037 8.035 1.00 0.00 H ATOM 1191 HE2 MET A 74 8.783 -5.120 6.348 1.00 0.00 H ATOM 1192 HE3 MET A 74 7.652 -4.658 7.644 1.00 0.00 H ATOM 1193 H MET A 74 12.185 -6.222 7.138 1.00 0.00 H ATOM 1194 N ALA A 75 13.020 -7.401 10.185 1.00 22.63 N ATOM 1195 CA ALA A 75 13.779 -7.750 11.402 1.00 23.64 C ATOM 1196 C ALA A 75 13.975 -6.513 12.274 1.00 23.33 C ATOM 1197 O ALA A 75 13.850 -6.582 13.500 1.00 24.43 O ATOM 1198 CB ALA A 75 15.084 -8.372 11.070 1.00 25.40 C ATOM 1199 HA ALA A 75 13.200 -8.485 11.961 1.00 0.00 H ATOM 1200 HB1 ALA A 75 14.915 -9.283 10.495 1.00 0.00 H ATOM 1201 HB2 ALA A 75 15.678 -7.674 10.481 1.00 0.00 H ATOM 1202 HB3 ALA A 75 15.614 -8.615 11.991 1.00 0.00 H ATOM 1203 H ALA A 75 13.479 -7.461 9.254 1.00 0.00 H ATOM 1204 N PHE A 76 14.267 -5.373 11.659 1.00 22.14 N ATOM 1205 CA PHE A 76 14.329 -4.103 12.404 1.00 22.16 C ATOM 1206 C PHE A 76 13.028 -3.809 13.114 1.00 22.59 C ATOM 1207 O PHE A 76 13.012 -3.477 14.308 1.00 23.80 O ATOM 1208 CB PHE A 76 14.669 -2.991 11.419 1.00 23.41 C ATOM 1209 CG PHE A 76 14.916 -1.656 12.045 1.00 24.98 C ATOM 1210 CD1 PHE A 76 15.694 -1.532 13.178 1.00 26.79 C ATOM 1211 CD2 PHE A 76 14.440 -0.506 11.435 1.00 29.36 C ATOM 1212 CE1 PHE A 76 15.945 -0.275 13.732 1.00 30.15 C ATOM 1213 CE2 PHE A 76 14.726 0.760 11.976 1.00 29.60 C ATOM 1214 CZ PHE A 76 15.471 0.868 13.110 1.00 29.74 C ATOM 1215 HA PHE A 76 15.097 -4.174 13.174 1.00 0.00 H ATOM 1216 HB2 PHE A 76 15.567 -3.282 10.874 1.00 0.00 H ATOM 1217 HB3 PHE A 76 13.838 -2.890 10.720 1.00 0.00 H ATOM 1218 HD2 PHE A 76 13.839 -0.584 10.529 1.00 0.00 H ATOM 1219 HE2 PHE A 76 14.350 1.658 11.486 1.00 0.00 H ATOM 1220 HZ PHE A 76 15.694 1.850 13.527 1.00 0.00 H ATOM 1221 HE1 PHE A 76 16.516 -0.193 14.657 1.00 0.00 H ATOM 1222 HD1 PHE A 76 16.116 -2.422 13.644 1.00 0.00 H ATOM 1223 H PHE A 76 14.455 -5.376 10.636 1.00 0.00 H ATOM 1224 N VAL A 77 11.928 -3.916 12.372 1.00 21.32 N ATOM 1225 CA VAL A 77 10.605 -3.696 12.984 1.00 21.77 C ATOM 1226 C VAL A 77 10.367 -4.631 14.165 1.00 22.55 C ATOM 1227 O VAL A 77 9.873 -4.202 15.210 1.00 22.94 O ATOM 1228 CB VAL A 77 9.485 -3.810 11.964 1.00 22.75 C ATOM 1229 CG1 VAL A 77 8.135 -3.812 12.652 1.00 24.07 C ATOM 1230 CG2 VAL A 77 9.547 -2.611 10.995 1.00 22.85 C ATOM 1231 HA VAL A 77 10.600 -2.675 13.365 1.00 0.00 H ATOM 1232 HB VAL A 77 9.610 -4.745 11.417 1.00 0.00 H ATOM 1233 HG11 VAL A 77 8.078 -4.659 13.336 1.00 0.00 H ATOM 1234 HG12 VAL A 77 8.012 -2.884 13.210 1.00 0.00 H ATOM 1235 HG13 VAL A 77 7.347 -3.894 11.903 1.00 0.00 H ATOM 1236 HG21 VAL A 77 9.434 -1.684 11.558 1.00 0.00 H ATOM 1237 HG22 VAL A 77 10.508 -2.610 10.481 1.00 0.00 H ATOM 1238 HG23 VAL A 77 8.743 -2.694 10.264 1.00 0.00 H ATOM 1239 H VAL A 77 12.002 -4.154 11.362 1.00 0.00 H ATOM 1240 N ALA A 78 10.741 -5.898 14.033 1.00 23.11 N ATOM 1241 CA ALA A 78 10.635 -6.834 15.177 1.00 23.08 C ATOM 1242 C ALA A 78 11.458 -6.385 16.385 1.00 24.21 C ATOM 1243 O ALA A 78 10.979 -6.458 17.524 1.00 25.04 O ATOM 1244 CB ALA A 78 11.044 -8.244 14.766 1.00 24.52 C ATOM 1245 HA ALA A 78 9.587 -6.834 15.477 1.00 0.00 H ATOM 1246 HB1 ALA A 78 10.390 -8.592 13.966 1.00 0.00 H ATOM 1247 HB2 ALA A 78 12.076 -8.234 14.415 1.00 0.00 H ATOM 1248 HB3 ALA A 78 10.957 -8.911 15.624 1.00 0.00 H ATOM 1249 H ALA A 78 11.111 -6.236 13.121 1.00 0.00 H ATOM 1250 N MET A 79 12.675 -5.890 16.145 1.00 24.36 N ATOM 1251 CA MET A 79 13.556 -5.383 17.230 1.00 27.29 C ATOM 1252 C MET A 79 12.910 -4.191 17.947 1.00 26.64 C ATOM 1253 O MET A 79 12.931 -4.116 19.187 1.00 26.93 O ATOM 1254 CB MET A 79 14.930 -4.938 16.681 1.00 27.80 C ATOM 1255 CG MET A 79 15.890 -6.041 16.230 1.00 34.47 C ATOM 1256 SD MET A 79 17.186 -5.368 15.112 1.00 43.12 S ATOM 1257 CE MET A 79 17.673 -3.881 16.015 1.00 44.69 C ATOM 1258 HA MET A 79 13.697 -6.205 17.931 1.00 0.00 H ATOM 1259 HB2 MET A 79 14.747 -4.290 15.824 1.00 0.00 H ATOM 1260 HB3 MET A 79 15.429 -4.369 17.465 1.00 0.00 H ATOM 1261 HG2 MET A 79 15.327 -6.810 15.702 1.00 0.00 H ATOM 1262 HG3 MET A 79 16.367 -6.479 17.106 1.00 0.00 H ATOM 1263 HE1 MET A 79 16.809 -3.226 16.127 1.00 0.00 H ATOM 1264 HE2 MET A 79 18.048 -4.162 16.999 1.00 0.00 H ATOM 1265 HE3 MET A 79 18.455 -3.361 15.462 1.00 0.00 H ATOM 1266 H MET A 79 13.019 -5.858 15.164 1.00 0.00 H ATOM 1267 N ILE A 80 12.377 -3.256 17.171 1.00 25.93 N ATOM 1268 CA ILE A 80 11.792 -2.046 17.721 1.00 26.89 C ATOM 1269 C ILE A 80 10.548 -2.403 18.519 1.00 26.80 C ATOM 1270 O ILE A 80 10.385 -1.931 19.632 1.00 28.41 O ATOM 1271 CB ILE A 80 11.430 -1.026 16.647 1.00 26.90 C ATOM 1272 CG1 ILE A 80 12.689 -0.507 15.939 1.00 28.39 C ATOM 1273 CG2 ILE A 80 10.692 0.168 17.275 1.00 28.18 C ATOM 1274 CD1 ILE A 80 12.421 -0.012 14.559 1.00 33.02 C ATOM 1275 HA ILE A 80 12.543 -1.587 18.364 1.00 0.00 H ATOM 1276 HB ILE A 80 10.786 -1.523 15.921 1.00 0.00 H ATOM 1277 HG12 ILE A 80 13.106 0.311 16.527 1.00 0.00 H ATOM 1278 HG13 ILE A 80 13.415 -1.318 15.882 1.00 0.00 H ATOM 1279 HD11 ILE A 80 12.013 -0.823 13.956 1.00 0.00 H ATOM 1280 HD12 ILE A 80 11.703 0.807 14.601 1.00 0.00 H ATOM 1281 HD13 ILE A 80 13.351 0.341 14.114 1.00 0.00 H ATOM 1282 HG21 ILE A 80 9.779 -0.183 17.756 1.00 0.00 H ATOM 1283 HG22 ILE A 80 11.336 0.642 18.016 1.00 0.00 H ATOM 1284 HG23 ILE A 80 10.440 0.888 16.496 1.00 0.00 H ATOM 1285 H ILE A 80 12.378 -3.394 16.140 1.00 0.00 H ATOM 1286 N THR A 81 9.691 -3.250 17.940 1.00 24.84 N ATOM 1287 CA THR A 81 8.426 -3.617 18.585 1.00 23.84 C ATOM 1288 C THR A 81 8.678 -4.368 19.875 1.00 25.63 C ATOM 1289 O THR A 81 7.999 -4.124 20.872 1.00 26.38 O ATOM 1290 CB THR A 81 7.545 -4.455 17.638 1.00 23.34 C ATOM 1291 OG1 THR A 81 7.372 -3.739 16.413 1.00 22.85 O ATOM 1292 CG2 THR A 81 6.161 -4.714 18.240 1.00 24.31 C ATOM 1293 HA THR A 81 7.893 -2.696 18.821 1.00 0.00 H ATOM 1294 HB THR A 81 8.040 -5.412 17.473 1.00 0.00 H ATOM 1295 HG1 THR A 81 8.256 -3.581 15.997 1.00 0.00 H ATOM 1296 HG23 THR A 81 6.270 -5.260 19.177 1.00 0.00 H ATOM 1297 HG21 THR A 81 5.664 -3.762 18.429 1.00 0.00 H ATOM 1298 HG22 THR A 81 5.567 -5.303 17.542 1.00 0.00 H ATOM 1299 H THR A 81 9.926 -3.657 17.012 1.00 0.00 H ATOM 1300 N THR A 82 9.674 -5.247 19.875 1.00 25.22 N ATOM 1301 CA THR A 82 10.051 -5.980 21.094 1.00 27.67 C ATOM 1302 C THR A 82 10.544 -5.009 22.164 1.00 28.76 C ATOM 1303 O THR A 82 10.165 -5.121 23.309 1.00 30.20 O ATOM 1304 CB THR A 82 11.129 -7.017 20.785 1.00 28.70 C ATOM 1305 OG1 THR A 82 10.589 -7.948 19.835 1.00 29.14 O ATOM 1306 CG2 THR A 82 11.544 -7.774 22.044 1.00 30.77 C ATOM 1307 HA THR A 82 9.170 -6.499 21.470 1.00 0.00 H ATOM 1308 HB THR A 82 12.009 -6.511 20.388 1.00 0.00 H ATOM 1309 HG1 THR A 82 10.332 -7.464 19.010 1.00 0.00 H ATOM 1310 HG23 THR A 82 11.955 -7.072 22.770 1.00 0.00 H ATOM 1311 HG21 THR A 82 10.673 -8.272 22.471 1.00 0.00 H ATOM 1312 HG22 THR A 82 12.299 -8.517 21.787 1.00 0.00 H ATOM 1313 H THR A 82 10.199 -5.421 18.994 1.00 0.00 H ATOM 1314 N ALA A 83 11.343 -4.026 21.760 1.00 28.83 N ATOM 1315 CA ALA A 83 11.837 -3.020 22.706 1.00 30.70 C ATOM 1316 C ALA A 83 10.707 -2.227 23.355 1.00 31.17 C ATOM 1317 O ALA A 83 10.728 -2.014 24.569 1.00 33.38 O ATOM 1318 CB ALA A 83 12.777 -2.082 22.003 1.00 31.50 C ATOM 1319 HA ALA A 83 12.360 -3.550 23.502 1.00 0.00 H ATOM 1320 HB1 ALA A 83 13.619 -2.646 21.602 1.00 0.00 H ATOM 1321 HB2 ALA A 83 12.250 -1.585 21.188 1.00 0.00 H ATOM 1322 HB3 ALA A 83 13.141 -1.337 22.710 1.00 0.00 H ATOM 1323 H ALA A 83 11.621 -3.970 20.760 1.00 0.00 H ATOM 1324 N CYS A 84 9.759 -1.781 22.538 1.00 30.32 N ATOM 1325 CA CYS A 84 8.571 -1.039 23.005 1.00 30.46 C ATOM 1326 C CYS A 84 7.787 -1.909 23.974 1.00 31.40 C ATOM 1327 O CYS A 84 7.340 -1.466 25.023 1.00 32.59 O ATOM 1328 CB CYS A 84 7.665 -0.646 21.831 1.00 28.96 C ATOM 1329 SG CYS A 84 6.205 0.413 22.233 1.00 29.04 S ATOM 1330 HA CYS A 84 8.907 -0.127 23.499 1.00 0.00 H ATOM 1331 HB2 CYS A 84 7.293 -1.565 21.378 1.00 0.00 H ATOM 1332 HB3 CYS A 84 8.276 -0.107 21.107 1.00 0.00 H ATOM 1333 HG CYS A 84 5.393 -0.248 23.132 1.00 0.00 H ATOM 1334 H CYS A 84 9.859 -1.964 21.519 1.00 0.00 H ATOM 1335 N HIS A 85 7.599 -3.164 23.577 1.00 30.26 N ATOM 1336 CA HIS A 85 6.805 -4.123 24.356 1.00 31.53 C ATOM 1337 C HIS A 85 7.379 -4.331 25.743 1.00 35.02 C ATOM 1338 O HIS A 85 6.647 -4.512 26.724 1.00 35.12 O ATOM 1339 CB HIS A 85 6.727 -5.446 23.559 1.00 29.22 C ATOM 1340 CG HIS A 85 5.945 -6.533 24.221 1.00 32.30 C ATOM 1341 ND1 HIS A 85 4.622 -6.399 24.594 1.00 35.71 N ATOM 1342 CD2 HIS A 85 6.296 -7.798 24.529 1.00 32.67 C ATOM 1343 CE1 HIS A 85 4.197 -7.537 25.109 1.00 34.01 C ATOM 1344 NE2 HIS A 85 5.204 -8.393 25.117 1.00 37.10 N ATOM 1345 HA HIS A 85 5.800 -3.730 24.507 1.00 0.00 H ATOM 1346 HB2 HIS A 85 6.264 -5.234 22.595 1.00 0.00 H ATOM 1347 HB3 HIS A 85 7.743 -5.807 23.401 1.00 0.00 H ATOM 1348 HD2 HIS A 85 7.265 -8.263 24.346 1.00 0.00 H ATOM 1349 HE1 HIS A 85 3.187 -7.737 25.467 1.00 0.00 H ATOM 1350 H HIS A 85 8.029 -3.477 22.684 1.00 0.00 H ATOM 1351 N GLU A 86 8.702 -4.299 25.808 1.00 37.85 N ATOM 1352 CA GLU A 86 9.426 -4.465 27.049 1.00 43.03 C ATOM 1353 C GLU A 86 9.577 -3.094 27.707 1.00 45.91 C ATOM 1354 O GLU A 86 9.137 -2.089 27.152 1.00 45.51 O ATOM 1355 CB GLU A 86 10.758 -5.147 26.767 1.00 43.52 C ATOM 1356 CG GLU A 86 10.558 -6.525 26.147 1.00 45.30 C ATOM 1357 CD GLU A 86 11.859 -7.261 25.849 1.00 50.86 C ATOM 1358 OE1 GLU A 86 12.890 -6.601 25.546 1.00 51.94 O ATOM 1359 OE2 GLU A 86 11.832 -8.513 25.906 1.00 53.23 O ATOM 1360 HA GLU A 86 8.888 -5.107 27.746 1.00 0.00 H ATOM 1361 HB2 GLU A 86 11.335 -4.529 26.079 1.00 0.00 H ATOM 1362 HB3 GLU A 86 11.306 -5.255 27.703 1.00 0.00 H ATOM 1363 HG2 GLU A 86 9.971 -7.131 26.837 1.00 0.00 H ATOM 1364 HG3 GLU A 86 10.009 -6.405 25.213 1.00 0.00 H ATOM 1365 H GLU A 86 9.241 -4.149 24.932 1.00 0.00 H ATOM 1366 N PHE A 87 10.179 -3.047 28.884 1.00 50.54 N ATOM 1367 CA PHE A 87 9.867 -1.958 29.832 1.00 55.96 C ATOM 1368 C PHE A 87 8.400 -1.505 29.628 1.00 55.36 C ATOM 1369 O PHE A 87 8.133 -0.407 29.159 1.00 55.52 O ATOM 1370 CB PHE A 87 10.928 -0.818 29.840 1.00 57.32 C ATOM 1371 CG PHE A 87 10.960 0.055 28.599 1.00 58.72 C ATOM 1372 CD1 PHE A 87 10.480 1.363 28.646 1.00 59.72 C ATOM 1373 CD2 PHE A 87 11.531 -0.401 27.406 1.00 59.02 C ATOM 1374 CE1 PHE A 87 10.528 2.181 27.524 1.00 59.28 C ATOM 1375 CE2 PHE A 87 11.588 0.415 26.279 1.00 57.05 C ATOM 1376 CZ PHE A 87 11.086 1.709 26.336 1.00 58.34 C ATOM 1377 HA PHE A 87 9.939 -2.339 30.851 1.00 0.00 H ATOM 1378 HB2 PHE A 87 10.725 -0.176 30.697 1.00 0.00 H ATOM 1379 HB3 PHE A 87 11.911 -1.275 29.955 1.00 0.00 H ATOM 1380 HD2 PHE A 87 11.938 -1.411 27.358 1.00 0.00 H ATOM 1381 HE2 PHE A 87 12.026 0.039 25.354 1.00 0.00 H ATOM 1382 HZ PHE A 87 11.128 2.352 25.457 1.00 0.00 H ATOM 1383 HE1 PHE A 87 10.129 3.194 27.572 1.00 0.00 H ATOM 1384 HD1 PHE A 87 10.061 1.749 29.575 1.00 0.00 H ATOM 1385 H PHE A 87 10.873 -3.778 29.142 1.00 0.00 H ATOM 1386 N PHE A 88 7.479 -2.416 29.976 1.00 56.58 N ATOM 1387 CA PHE A 88 6.038 -2.354 29.658 1.00 55.89 C ATOM 1388 C PHE A 88 5.339 -1.076 30.099 1.00 57.20 C ATOM 1389 O PHE A 88 5.175 -0.150 29.312 1.00 56.60 O ATOM 1390 CB PHE A 88 5.308 -3.553 30.272 1.00 56.78 C ATOM 1391 HA PHE A 88 5.990 -2.372 28.569 1.00 0.00 H ATOM 1392 HB2 PHE A 88 5.724 -4.476 29.868 1.00 0.00 H ATOM 1393 HB3 PHE A 88 5.436 -3.539 31.354 1.00 0.00 H ATOM 1394 H PHE A 88 7.809 -3.240 30.518 1.00 0.00 H TER 1395 PHE A 88 ATOM 1396 N MET B 0 2.746 10.954 17.183 1.00 37.41 N ATOM 1397 CA MET B 0 3.543 9.753 16.752 1.00 35.35 C ATOM 1398 C MET B 0 3.348 9.484 15.260 1.00 32.43 C ATOM 1399 O MET B 0 2.259 9.749 14.710 1.00 35.44 O ATOM 1400 CB MET B 0 3.159 8.487 17.552 1.00 37.20 C ATOM 1401 CG MET B 0 3.892 8.296 18.894 1.00 41.59 C ATOM 1402 SD MET B 0 3.152 6.927 19.810 1.00 53.39 S ATOM 1403 CE MET B 0 4.265 6.792 21.201 1.00 51.86 C ATOM 1404 HA MET B 0 4.590 9.980 16.951 1.00 0.00 H ATOM 1405 HB2 MET B 0 2.090 8.532 17.758 1.00 0.00 H ATOM 1406 HB3 MET B 0 3.371 7.619 16.928 1.00 0.00 H ATOM 1407 HG2 MET B 0 3.812 9.210 19.483 1.00 0.00 H ATOM 1408 HG3 MET B 0 4.943 8.078 18.704 1.00 0.00 H ATOM 1409 HE1 MET B 0 5.271 6.578 20.840 1.00 0.00 H ATOM 1410 HE2 MET B 0 4.269 7.731 21.754 1.00 0.00 H ATOM 1411 HE3 MET B 0 3.932 5.985 21.854 1.00 0.00 H ATOM 1412 HN3 MET B 0 1.737 10.782 17.000 1.00 0.00 H ATOM 1413 HN2 MET B 0 3.060 11.788 16.646 1.00 0.00 H ATOM 1414 HN1 MET B 0 2.892 11.119 18.199 1.00 0.00 H ATOM 1415 N SER B 1 4.373 8.927 14.626 1.00 40.73 N ATOM 1416 CA SER B 1 4.322 8.623 13.212 1.00 35.30 C ATOM 1417 C SER B 1 3.422 7.436 12.936 1.00 32.08 C ATOM 1418 O SER B 1 3.044 6.712 13.867 1.00 29.61 O ATOM 1419 CB SER B 1 5.720 8.294 12.718 1.00 34.26 C ATOM 1420 OG SER B 1 6.114 7.055 13.271 1.00 29.20 O ATOM 1421 HA SER B 1 3.923 9.495 12.694 1.00 0.00 H ATOM 1422 HB2 SER B 1 6.414 9.074 13.032 1.00 0.00 H ATOM 1423 HB3 SER B 1 5.719 8.227 11.630 1.00 0.00 H ATOM 1424 HG SER B 1 7.025 6.829 12.956 1.00 0.00 H ATOM 1425 H SER B 1 5.237 8.703 15.160 1.00 0.00 H ATOM 1426 N GLU B 2 3.132 7.186 11.658 1.00 30.08 N ATOM 1427 CA GLU B 2 2.382 6.001 11.262 1.00 29.24 C ATOM 1428 C GLU B 2 3.119 4.720 11.664 1.00 27.36 C ATOM 1429 O GLU B 2 2.477 3.755 12.061 1.00 25.80 O ATOM 1430 CB GLU B 2 2.122 5.988 9.758 1.00 31.02 C ATOM 1431 CG GLU B 2 1.018 6.958 9.330 1.00 35.99 C ATOM 1432 CD GLU B 2 -0.318 6.688 10.033 1.00 42.33 C ATOM 1433 OE1 GLU B 2 -0.941 5.621 9.806 1.00 43.09 O ATOM 1434 OE2 GLU B 2 -0.752 7.561 10.814 1.00 48.53 O ATOM 1435 HA GLU B 2 1.426 6.038 11.784 1.00 0.00 H ATOM 1436 HB2 GLU B 2 3.043 6.262 9.244 1.00 0.00 H ATOM 1437 HB3 GLU B 2 1.831 4.979 9.465 1.00 0.00 H ATOM 1438 HG2 GLU B 2 1.336 7.974 9.565 1.00 0.00 H ATOM 1439 HG3 GLU B 2 0.870 6.865 8.254 1.00 0.00 H ATOM 1440 H GLU B 2 3.449 7.853 10.926 1.00 0.00 H ATOM 1441 N LEU B 3 4.455 4.716 11.502 1.00 25.82 N ATOM 1442 CA LEU B 3 5.264 3.579 11.939 1.00 24.32 C ATOM 1443 C LEU B 3 5.129 3.321 13.437 1.00 24.66 C ATOM 1444 O LEU B 3 4.950 2.172 13.869 1.00 24.36 O ATOM 1445 CB LEU B 3 6.745 3.766 11.528 1.00 25.46 C ATOM 1446 CG LEU B 3 7.713 2.666 12.001 1.00 24.40 C ATOM 1447 CD1 LEU B 3 7.298 1.225 11.613 1.00 24.33 C ATOM 1448 CD2 LEU B 3 9.067 2.991 11.403 1.00 27.29 C ATOM 1449 HA LEU B 3 4.882 2.693 11.432 1.00 0.00 H ATOM 1450 HB2 LEU B 3 6.788 3.805 10.440 1.00 0.00 H ATOM 1451 HB3 LEU B 3 7.090 4.715 11.939 1.00 0.00 H ATOM 1452 HG LEU B 3 7.717 2.668 13.091 1.00 0.00 H ATOM 1453 HD21 LEU B 3 8.990 2.999 10.316 1.00 0.00 H ATOM 1454 HD22 LEU B 3 9.392 3.971 11.753 1.00 0.00 H ATOM 1455 HD23 LEU B 3 9.790 2.236 11.712 1.00 0.00 H ATOM 1456 HD11 LEU B 3 6.326 0.998 12.050 1.00 0.00 H ATOM 1457 HD12 LEU B 3 7.237 1.146 10.528 1.00 0.00 H ATOM 1458 HD13 LEU B 3 8.040 0.521 11.989 1.00 0.00 H ATOM 1459 H LEU B 3 4.919 5.534 11.059 1.00 0.00 H ATOM 1460 N GLU B 4 5.205 4.383 14.229 1.00 25.70 N ATOM 1461 CA GLU B 4 5.130 4.241 15.676 1.00 26.13 C ATOM 1462 C GLU B 4 3.749 3.727 16.079 1.00 25.97 C ATOM 1463 O GLU B 4 3.634 2.839 16.940 1.00 26.09 O ATOM 1464 CB GLU B 4 5.478 5.575 16.346 1.00 28.28 C ATOM 1465 CG GLU B 4 6.983 5.886 16.321 1.00 28.44 C ATOM 1466 CD GLU B 4 7.340 7.328 16.593 1.00 34.52 C ATOM 1467 OE1 GLU B 4 6.479 8.200 16.433 1.00 34.30 O ATOM 1468 OE2 GLU B 4 8.511 7.598 16.929 1.00 35.00 O ATOM 1469 HA GLU B 4 5.859 3.506 16.017 1.00 0.00 H ATOM 1470 HB2 GLU B 4 4.949 6.374 15.825 1.00 0.00 H ATOM 1471 HB3 GLU B 4 5.148 5.539 17.384 1.00 0.00 H ATOM 1472 HG2 GLU B 4 7.469 5.268 17.076 1.00 0.00 H ATOM 1473 HG3 GLU B 4 7.367 5.622 15.336 1.00 0.00 H ATOM 1474 H GLU B 4 5.320 5.328 13.811 1.00 0.00 H ATOM 1475 N LYS B 5 2.708 4.285 15.464 1.00 26.02 N ATOM 1476 CA LYS B 5 1.353 3.795 15.715 1.00 25.69 C ATOM 1477 C LYS B 5 1.179 2.335 15.311 1.00 24.90 C ATOM 1478 O LYS B 5 0.519 1.569 16.021 1.00 24.45 O ATOM 1479 CB LYS B 5 0.343 4.691 15.014 1.00 27.04 C ATOM 1480 CG LYS B 5 0.248 6.027 15.673 1.00 28.95 C ATOM 1481 CD LYS B 5 -0.742 6.900 14.970 1.00 32.05 C ATOM 1482 CE LYS B 5 -0.729 8.277 15.579 1.00 34.52 C ATOM 1483 NZ LYS B 5 -1.125 9.248 14.525 1.00 36.90 N ATOM 1484 HA LYS B 5 1.175 3.835 16.790 1.00 0.00 H ATOM 1485 HB2 LYS B 5 0.650 4.828 13.977 1.00 0.00 H ATOM 1486 HB3 LYS B 5 -0.636 4.212 15.042 1.00 0.00 H ATOM 1487 HG2 LYS B 5 -0.066 5.893 16.708 1.00 0.00 H ATOM 1488 HG3 LYS B 5 1.226 6.507 15.650 1.00 0.00 H ATOM 1489 HD2 LYS B 5 -0.480 6.968 13.914 1.00 0.00 H ATOM 1490 HD3 LYS B 5 -1.739 6.470 15.068 1.00 0.00 H ATOM 1491 HE2 LYS B 5 0.271 8.512 15.942 1.00 0.00 H ATOM 1492 HE3 LYS B 5 -1.435 8.322 16.408 1.00 0.00 H ATOM 1493 HZ1 LYS B 5 -0.449 9.197 13.736 1.00 0.00 H ATOM 1494 HZ2 LYS B 5 -2.079 9.015 14.181 1.00 0.00 H ATOM 1495 HZ3 LYS B 5 -1.123 10.209 14.922 1.00 0.00 H ATOM 1496 H LYS B 5 2.859 5.073 14.802 1.00 0.00 H ATOM 1497 N ALA B 6 1.801 1.929 14.201 1.00 23.91 N ATOM 1498 CA ALA B 6 1.771 0.535 13.767 1.00 22.45 C ATOM 1499 C ALA B 6 2.424 -0.396 14.779 1.00 22.97 C ATOM 1500 O ALA B 6 1.866 -1.451 15.096 1.00 22.67 O ATOM 1501 CB ALA B 6 2.439 0.383 12.358 1.00 22.39 C ATOM 1502 HA ALA B 6 0.724 0.241 13.692 1.00 0.00 H ATOM 1503 HB1 ALA B 6 1.898 0.991 11.633 1.00 0.00 H ATOM 1504 HB2 ALA B 6 3.476 0.715 12.411 1.00 0.00 H ATOM 1505 HB3 ALA B 6 2.406 -0.663 12.053 1.00 0.00 H ATOM 1506 H ALA B 6 2.321 2.625 13.630 1.00 0.00 H ATOM 1507 N VAL B 7 3.604 -0.017 15.274 1.00 23.22 N ATOM 1508 CA VAL B 7 4.278 -0.784 16.337 1.00 23.82 C ATOM 1509 C VAL B 7 3.343 -1.002 17.535 1.00 23.87 C ATOM 1510 O VAL B 7 3.197 -2.122 18.034 1.00 23.57 O ATOM 1511 CB VAL B 7 5.566 -0.090 16.760 1.00 24.16 C ATOM 1512 CG1 VAL B 7 6.085 -0.634 18.056 1.00 25.93 C ATOM 1513 CG2 VAL B 7 6.636 -0.185 15.659 1.00 26.32 C ATOM 1514 HA VAL B 7 4.538 -1.766 15.941 1.00 0.00 H ATOM 1515 HB VAL B 7 5.331 0.963 16.914 1.00 0.00 H ATOM 1516 HG11 VAL B 7 5.339 -0.483 18.837 1.00 0.00 H ATOM 1517 HG12 VAL B 7 6.287 -1.699 17.946 1.00 0.00 H ATOM 1518 HG13 VAL B 7 7.005 -0.114 18.325 1.00 0.00 H ATOM 1519 HG21 VAL B 7 6.855 -1.233 15.457 1.00 0.00 H ATOM 1520 HG22 VAL B 7 6.265 0.292 14.752 1.00 0.00 H ATOM 1521 HG23 VAL B 7 7.543 0.320 15.991 1.00 0.00 H ATOM 1522 H VAL B 7 4.059 0.840 14.901 1.00 0.00 H ATOM 1523 N VAL B 8 2.691 0.060 17.973 1.00 25.05 N ATOM 1524 CA VAL B 8 1.758 -0.062 19.108 1.00 26.21 C ATOM 1525 C VAL B 8 0.576 -0.985 18.791 1.00 25.47 C ATOM 1526 O VAL B 8 0.141 -1.803 19.635 1.00 25.96 O ATOM 1527 CB VAL B 8 1.294 1.327 19.557 1.00 27.83 C ATOM 1528 CG1 VAL B 8 0.223 1.194 20.633 1.00 30.09 C ATOM 1529 CG2 VAL B 8 2.473 2.118 20.102 1.00 29.20 C ATOM 1530 HA VAL B 8 2.292 -0.531 19.935 1.00 0.00 H ATOM 1531 HB VAL B 8 0.876 1.854 18.699 1.00 0.00 H ATOM 1532 HG11 VAL B 8 -0.627 0.643 20.231 1.00 0.00 H ATOM 1533 HG12 VAL B 8 0.634 0.658 21.488 1.00 0.00 H ATOM 1534 HG13 VAL B 8 -0.101 2.187 20.946 1.00 0.00 H ATOM 1535 HG21 VAL B 8 2.901 1.589 20.954 1.00 0.00 H ATOM 1536 HG22 VAL B 8 3.228 2.226 19.323 1.00 0.00 H ATOM 1537 HG23 VAL B 8 2.132 3.104 20.418 1.00 0.00 H ATOM 1538 H VAL B 8 2.836 0.983 17.517 1.00 0.00 H ATOM 1539 N ALA B 9 0.068 -0.905 17.567 1.00 24.77 N ATOM 1540 CA ALA B 9 -1.009 -1.781 17.155 1.00 24.54 C ATOM 1541 C ALA B 9 -0.637 -3.258 17.181 1.00 23.31 C ATOM 1542 O ALA B 9 -1.480 -4.096 17.502 1.00 24.17 O ATOM 1543 CB ALA B 9 -1.507 -1.407 15.797 1.00 23.84 C ATOM 1544 HA ALA B 9 -1.802 -1.643 17.890 1.00 0.00 H ATOM 1545 HB1 ALA B 9 -1.875 -0.381 15.816 1.00 0.00 H ATOM 1546 HB2 ALA B 9 -0.692 -1.488 15.077 1.00 0.00 H ATOM 1547 HB3 ALA B 9 -2.315 -2.079 15.510 1.00 0.00 H ATOM 1548 H ALA B 9 0.448 -0.206 16.897 1.00 0.00 H ATOM 1549 N LEU B 10 0.617 -3.584 16.812 1.00 23.02 N ATOM 1550 CA LEU B 10 1.099 -4.987 16.851 1.00 22.30 C ATOM 1551 C LEU B 10 1.074 -5.483 18.271 1.00 23.14 C ATOM 1552 O LEU B 10 0.633 -6.577 18.524 1.00 23.98 O ATOM 1553 CB LEU B 10 2.517 -5.114 16.338 1.00 22.79 C ATOM 1554 CG LEU B 10 2.694 -4.696 14.869 1.00 23.38 C ATOM 1555 CD1 LEU B 10 4.152 -4.974 14.462 1.00 24.56 C ATOM 1556 CD2 LEU B 10 1.697 -5.412 13.915 1.00 24.15 C ATOM 1557 HA LEU B 10 0.441 -5.575 16.211 1.00 0.00 H ATOM 1558 HB2 LEU B 10 3.161 -4.485 16.953 1.00 0.00 H ATOM 1559 HB3 LEU B 10 2.825 -6.155 16.437 1.00 0.00 H ATOM 1560 HG LEU B 10 2.472 -3.633 14.779 1.00 0.00 H ATOM 1561 HD21 LEU B 10 1.848 -6.490 13.976 1.00 0.00 H ATOM 1562 HD22 LEU B 10 0.676 -5.170 14.210 1.00 0.00 H ATOM 1563 HD23 LEU B 10 1.870 -5.077 12.892 1.00 0.00 H ATOM 1564 HD11 LEU B 10 4.822 -4.397 15.099 1.00 0.00 H ATOM 1565 HD12 LEU B 10 4.364 -6.037 14.578 1.00 0.00 H ATOM 1566 HD13 LEU B 10 4.299 -4.684 13.422 1.00 0.00 H ATOM 1567 H LEU B 10 1.263 -2.834 16.492 1.00 0.00 H ATOM 1568 N ILE B 11 1.535 -4.641 19.183 1.00 23.46 N ATOM 1569 CA ILE B 11 1.532 -5.038 20.613 1.00 25.14 C ATOM 1570 C ILE B 11 0.096 -5.181 21.133 1.00 25.41 C ATOM 1571 O ILE B 11 -0.229 -6.160 21.859 1.00 25.80 O ATOM 1572 CB ILE B 11 2.328 -4.013 21.442 1.00 25.09 C ATOM 1573 CG1 ILE B 11 3.808 -4.044 21.027 1.00 26.54 C ATOM 1574 CG2 ILE B 11 2.163 -4.294 22.954 1.00 27.76 C ATOM 1575 CD1 ILE B 11 4.611 -2.847 21.535 1.00 29.04 C ATOM 1576 HA ILE B 11 2.015 -6.010 20.713 1.00 0.00 H ATOM 1577 HB ILE B 11 1.938 -3.014 21.247 1.00 0.00 H ATOM 1578 HG12 ILE B 11 4.258 -4.954 21.423 1.00 0.00 H ATOM 1579 HG13 ILE B 11 3.861 -4.058 19.938 1.00 0.00 H ATOM 1580 HD11 ILE B 11 4.180 -1.928 21.139 1.00 0.00 H ATOM 1581 HD12 ILE B 11 4.578 -2.825 22.624 1.00 0.00 H ATOM 1582 HD13 ILE B 11 5.645 -2.938 21.203 1.00 0.00 H ATOM 1583 HG21 ILE B 11 1.109 -4.225 23.222 1.00 0.00 H ATOM 1584 HG22 ILE B 11 2.532 -5.295 23.179 1.00 0.00 H ATOM 1585 HG23 ILE B 11 2.733 -3.559 23.523 1.00 0.00 H ATOM 1586 H ILE B 11 1.897 -3.708 18.899 1.00 0.00 H ATOM 1587 N ASP B 12 -0.769 -4.229 20.786 1.00 26.74 N ATOM 1588 CA ASP B 12 -2.166 -4.230 21.231 1.00 28.28 C ATOM 1589 C ASP B 12 -2.902 -5.504 20.801 1.00 28.27 C ATOM 1590 O ASP B 12 -3.620 -6.131 21.603 1.00 28.24 O ATOM 1591 CB ASP B 12 -2.932 -3.005 20.714 1.00 29.10 C ATOM 1592 CG ASP B 12 -2.550 -1.712 21.412 1.00 35.63 C ATOM 1593 OD1 ASP B 12 -2.812 -0.633 20.830 1.00 35.94 O ATOM 1594 OD2 ASP B 12 -2.021 -1.753 22.546 1.00 39.05 O ATOM 1595 HA ASP B 12 -2.135 -4.192 22.320 1.00 0.00 H ATOM 1596 HB2 ASP B 12 -2.729 -2.895 19.649 1.00 0.00 H ATOM 1597 HB3 ASP B 12 -3.998 -3.176 20.864 1.00 0.00 H ATOM 1598 H ASP B 12 -0.440 -3.454 20.175 1.00 0.00 H ATOM 1599 N VAL B 13 -2.722 -5.911 19.543 1.00 25.97 N ATOM 1600 CA VAL B 13 -3.500 -7.039 19.040 1.00 26.57 C ATOM 1601 C VAL B 13 -3.012 -8.328 19.690 1.00 26.63 C ATOM 1602 O VAL B 13 -3.825 -9.197 20.017 1.00 27.36 O ATOM 1603 CB VAL B 13 -3.557 -7.136 17.492 1.00 26.45 C ATOM 1604 CG1 VAL B 13 -2.210 -7.519 16.915 1.00 24.58 C ATOM 1605 CG2 VAL B 13 -4.664 -8.099 17.002 1.00 27.84 C ATOM 1606 HA VAL B 13 -4.537 -6.867 19.327 1.00 0.00 H ATOM 1607 HB VAL B 13 -3.814 -6.142 17.126 1.00 0.00 H ATOM 1608 HG11 VAL B 13 -1.471 -6.766 17.189 1.00 0.00 H ATOM 1609 HG12 VAL B 13 -1.908 -8.488 17.313 1.00 0.00 H ATOM 1610 HG13 VAL B 13 -2.285 -7.578 15.829 1.00 0.00 H ATOM 1611 HG21 VAL B 13 -4.475 -9.098 17.396 1.00 0.00 H ATOM 1612 HG22 VAL B 13 -5.633 -7.745 17.354 1.00 0.00 H ATOM 1613 HG23 VAL B 13 -4.661 -8.130 15.912 1.00 0.00 H ATOM 1614 H VAL B 13 -2.035 -5.430 18.928 1.00 0.00 H ATOM 1615 N PHE B 14 -1.713 -8.410 19.952 1.00 25.10 N ATOM 1616 CA PHE B 14 -1.202 -9.611 20.618 1.00 24.94 C ATOM 1617 C PHE B 14 -1.877 -9.754 21.970 1.00 27.49 C ATOM 1618 O PHE B 14 -2.403 -10.808 22.288 1.00 28.47 O ATOM 1619 CB PHE B 14 0.305 -9.547 20.783 1.00 24.36 C ATOM 1620 CG PHE B 14 0.890 -10.752 21.481 1.00 24.13 C ATOM 1621 CD1 PHE B 14 1.094 -11.950 20.796 1.00 24.89 C ATOM 1622 CD2 PHE B 14 1.242 -10.680 22.807 1.00 27.24 C ATOM 1623 CE1 PHE B 14 1.629 -13.070 21.456 1.00 24.45 C ATOM 1624 CE2 PHE B 14 1.768 -11.800 23.482 1.00 28.42 C ATOM 1625 CZ PHE B 14 1.994 -12.983 22.790 1.00 27.02 C ATOM 1626 HA PHE B 14 -1.428 -10.480 20.001 1.00 0.00 H ATOM 1627 HB2 PHE B 14 0.757 -9.468 19.794 1.00 0.00 H ATOM 1628 HB3 PHE B 14 0.551 -8.659 21.365 1.00 0.00 H ATOM 1629 HD2 PHE B 14 1.112 -9.741 23.346 1.00 0.00 H ATOM 1630 HE2 PHE B 14 1.997 -11.738 24.546 1.00 0.00 H ATOM 1631 HZ PHE B 14 2.454 -13.835 23.291 1.00 0.00 H ATOM 1632 HE1 PHE B 14 1.757 -14.009 20.917 1.00 0.00 H ATOM 1633 HD1 PHE B 14 0.836 -12.018 19.739 1.00 0.00 H ATOM 1634 H PHE B 14 -1.070 -7.636 19.689 1.00 0.00 H ATOM 1635 N HIS B 15 -1.887 -8.673 22.733 1.00 27.92 N ATOM 1636 CA HIS B 15 -2.481 -8.732 24.075 1.00 30.03 C ATOM 1637 C HIS B 15 -3.975 -8.879 24.133 1.00 30.81 C ATOM 1638 O HIS B 15 -4.526 -9.460 25.105 1.00 32.90 O ATOM 1639 CB HIS B 15 -1.928 -7.596 24.898 1.00 29.78 C ATOM 1640 CG HIS B 15 -0.591 -7.948 25.449 1.00 34.88 C ATOM 1641 ND1 HIS B 15 0.584 -7.401 24.982 1.00 36.36 N ATOM 1642 CD2 HIS B 15 -0.236 -8.901 26.345 1.00 35.63 C ATOM 1643 CE1 HIS B 15 1.600 -7.964 25.608 1.00 33.58 C ATOM 1644 NE2 HIS B 15 1.131 -8.890 26.429 1.00 39.99 N ATOM 1645 HA HIS B 15 -2.177 -9.678 24.523 1.00 0.00 H ATOM 1646 HB2 HIS B 15 -1.834 -6.711 24.269 1.00 0.00 H ATOM 1647 HB3 HIS B 15 -2.610 -7.385 25.721 1.00 0.00 H ATOM 1648 HD2 HIS B 15 -0.912 -9.554 26.896 1.00 0.00 H ATOM 1649 HE1 HIS B 15 2.651 -7.709 25.472 1.00 0.00 H ATOM 1650 H HIS B 15 -1.475 -7.784 22.383 1.00 0.00 H ATOM 1651 N GLN B 16 -4.644 -8.396 23.102 1.00 29.65 N ATOM 1652 CA GLN B 16 -6.076 -8.539 22.966 1.00 30.93 C ATOM 1653 C GLN B 16 -6.474 -10.009 22.942 1.00 30.70 C ATOM 1654 O GLN B 16 -7.541 -10.390 23.463 1.00 31.62 O ATOM 1655 CB GLN B 16 -6.505 -7.852 21.686 1.00 31.32 C ATOM 1656 CG GLN B 16 -7.956 -7.921 21.357 1.00 35.59 C ATOM 1657 CD GLN B 16 -8.335 -6.912 20.300 1.00 39.74 C ATOM 1658 OE1 GLN B 16 -7.468 -6.175 19.768 1.00 44.80 O ATOM 1659 NE2 GLN B 16 -9.617 -6.870 19.967 1.00 43.57 N ATOM 1660 HA GLN B 16 -6.573 -8.079 23.820 1.00 0.00 H ATOM 1661 HB2 GLN B 16 -6.231 -6.800 21.765 1.00 0.00 H ATOM 1662 HB3 GLN B 16 -5.955 -8.308 20.863 1.00 0.00 H ATOM 1663 HG2 GLN B 16 -8.189 -8.921 20.991 1.00 0.00 H ATOM 1664 HG3 GLN B 16 -8.534 -7.722 22.260 1.00 0.00 H ATOM 1665 HE22 GLN B 16 -10.297 -7.501 20.437 1.00 0.00 H ATOM 1666 HE21 GLN B 16 -9.943 -6.206 19.236 1.00 0.00 H ATOM 1667 H GLN B 16 -4.120 -7.893 22.358 1.00 0.00 H ATOM 1668 N TYR B 17 -5.593 -10.822 22.367 1.00 29.58 N ATOM 1669 CA TYR B 17 -5.858 -12.254 22.210 1.00 29.55 C ATOM 1670 C TYR B 17 -5.142 -13.134 23.214 1.00 29.46 C ATOM 1671 O TYR B 17 -5.742 -14.097 23.706 1.00 30.21 O ATOM 1672 CB TYR B 17 -5.632 -12.684 20.746 1.00 28.93 C ATOM 1673 CG TYR B 17 -6.750 -12.120 19.922 1.00 28.70 C ATOM 1674 CD1 TYR B 17 -6.653 -10.841 19.355 1.00 29.58 C ATOM 1675 CD2 TYR B 17 -7.957 -12.803 19.808 1.00 30.16 C ATOM 1676 CE1 TYR B 17 -7.746 -10.298 18.662 1.00 28.91 C ATOM 1677 CE2 TYR B 17 -9.021 -12.277 19.112 1.00 31.68 C ATOM 1678 CZ TYR B 17 -8.901 -11.034 18.533 1.00 29.71 C ATOM 1679 OH TYR B 17 -9.979 -10.524 17.868 1.00 31.81 O ATOM 1680 HA TYR B 17 -6.911 -12.409 22.446 1.00 0.00 H ATOM 1681 HB3 TYR B 17 -5.632 -13.772 20.675 1.00 0.00 H ATOM 1682 HB2 TYR B 17 -4.677 -12.297 20.389 1.00 0.00 H ATOM 1683 HD2 TYR B 17 -8.062 -13.779 20.282 1.00 0.00 H ATOM 1684 HE2 TYR B 17 -9.950 -12.839 19.020 1.00 0.00 H ATOM 1685 HE1 TYR B 17 -7.680 -9.300 18.229 1.00 0.00 H ATOM 1686 HD1 TYR B 17 -5.730 -10.269 19.452 1.00 0.00 H ATOM 1687 HH TYR B 17 -9.750 -9.631 17.506 1.00 0.00 H ATOM 1688 H TYR B 17 -4.694 -10.432 22.020 1.00 0.00 H ATOM 1689 N SER B 18 -3.903 -12.771 23.559 1.00 28.55 N ATOM 1690 CA SER B 18 -3.075 -13.607 24.463 1.00 27.31 C ATOM 1691 C SER B 18 -3.581 -13.708 25.884 1.00 28.45 C ATOM 1692 O SER B 18 -3.327 -14.709 26.569 1.00 27.28 O ATOM 1693 CB SER B 18 -1.620 -13.113 24.464 1.00 27.65 C ATOM 1694 OG SER B 18 -1.515 -11.917 25.204 1.00 27.95 O ATOM 1695 HA SER B 18 -3.142 -14.615 24.055 1.00 0.00 H ATOM 1696 HB2 SER B 18 -1.300 -12.932 23.438 1.00 0.00 H ATOM 1697 HB3 SER B 18 -0.981 -13.873 24.914 1.00 0.00 H ATOM 1698 HG SER B 18 -1.804 -12.081 26.137 1.00 0.00 H ATOM 1699 H SER B 18 -3.511 -11.883 23.186 1.00 0.00 H ATOM 1700 N GLY B 19 -4.264 -12.666 26.339 1.00 28.81 N ATOM 1701 CA GLY B 19 -4.781 -12.607 27.705 1.00 30.65 C ATOM 1702 C GLY B 19 -6.121 -13.282 27.987 1.00 32.13 C ATOM 1703 O GLY B 19 -6.604 -13.278 29.137 1.00 35.50 O ATOM 1704 HA3 GLY B 19 -4.885 -11.555 27.969 1.00 0.00 H ATOM 1705 HA2 GLY B 19 -4.039 -13.072 28.354 1.00 0.00 H ATOM 1706 H GLY B 19 -4.438 -11.863 25.702 1.00 0.00 H ATOM 1707 N ARG B 20 -6.724 -13.857 26.951 1.00 31.06 N ATOM 1708 CA ARG B 20 -8.052 -14.457 27.067 1.00 32.43 C ATOM 1709 C ARG B 20 -8.017 -15.721 27.917 1.00 32.51 C ATOM 1710 O ARG B 20 -8.906 -15.934 28.733 1.00 33.85 O ATOM 1711 CB ARG B 20 -8.636 -14.745 25.673 1.00 33.03 C ATOM 1712 CG ARG B 20 -8.919 -13.487 24.804 1.00 35.63 C ATOM 1713 CD ARG B 20 -9.429 -13.938 23.407 1.00 42.87 C ATOM 1714 NE ARG B 20 -10.304 -13.078 22.568 1.00 47.65 N ATOM 1715 CZ ARG B 20 -10.432 -11.749 22.554 1.00 48.24 C ATOM 1716 NH1 ARG B 20 -9.773 -10.944 23.374 1.00 48.49 N ATOM 1717 NH2 ARG B 20 -11.264 -11.208 21.673 1.00 50.50 N ATOM 1718 HA ARG B 20 -8.703 -13.742 27.571 1.00 0.00 H ATOM 1719 HB2 ARG B 20 -7.929 -15.376 25.134 1.00 0.00 H ATOM 1720 HB3 ARG B 20 -9.575 -15.283 25.804 1.00 0.00 H ATOM 1721 HG2 ARG B 20 -9.677 -12.871 25.288 1.00 0.00 H ATOM 1722 HG3 ARG B 20 -8.002 -12.909 24.689 1.00 0.00 H ATOM 1723 HD2 ARG B 20 -9.978 -14.866 23.568 1.00 0.00 H ATOM 1724 HD3 ARG B 20 -8.540 -14.143 22.810 1.00 0.00 H ATOM 1725 HE ARG B 20 -10.907 -13.588 21.891 1.00 0.00 H ATOM 1726 HH12 ARG B 20 -9.913 -9.915 23.317 1.00 0.00 H ATOM 1727 HH11 ARG B 20 -9.115 -11.341 24.075 1.00 0.00 H ATOM 1728 HH22 ARG B 20 -11.385 -10.176 21.638 1.00 0.00 H ATOM 1729 HH21 ARG B 20 -11.795 -11.816 21.018 1.00 0.00 H ATOM 1730 H ARG B 20 -6.237 -13.881 26.032 1.00 0.00 H ATOM 1731 N GLU B 21 -6.986 -16.548 27.723 1.00 30.31 N ATOM 1732 CA GLU B 21 -6.911 -17.899 28.288 1.00 31.23 C ATOM 1733 C GLU B 21 -5.505 -18.224 28.768 1.00 30.06 C ATOM 1734 O GLU B 21 -4.520 -17.810 28.155 1.00 29.08 O ATOM 1735 CB GLU B 21 -7.233 -18.910 27.198 1.00 30.93 C ATOM 1736 CG GLU B 21 -8.625 -18.803 26.595 1.00 32.81 C ATOM 1737 CD GLU B 21 -8.802 -19.859 25.551 1.00 35.93 C ATOM 1738 OE1 GLU B 21 -8.974 -21.041 25.935 1.00 36.77 O ATOM 1739 OE2 GLU B 21 -8.686 -19.516 24.352 1.00 35.73 O ATOM 1740 HA GLU B 21 -7.612 -17.945 29.121 1.00 0.00 H ATOM 1741 HB2 GLU B 21 -6.508 -18.780 26.395 1.00 0.00 H ATOM 1742 HB3 GLU B 21 -7.127 -19.908 27.623 1.00 0.00 H ATOM 1743 HG2 GLU B 21 -9.371 -18.938 27.378 1.00 0.00 H ATOM 1744 HG3 GLU B 21 -8.750 -17.820 26.142 1.00 0.00 H ATOM 1745 H GLU B 21 -6.193 -16.215 27.139 1.00 0.00 H ATOM 1746 N GLY B 22 -5.423 -19.037 29.814 1.00 31.90 N ATOM 1747 CA GLY B 22 -4.153 -19.632 30.217 1.00 31.81 C ATOM 1748 C GLY B 22 -3.044 -18.617 30.422 1.00 31.04 C ATOM 1749 O GLY B 22 -3.261 -17.553 31.043 1.00 32.32 O ATOM 1750 HA3 GLY B 22 -3.840 -20.333 29.443 1.00 0.00 H ATOM 1751 HA2 GLY B 22 -4.306 -20.170 31.153 1.00 0.00 H ATOM 1752 H GLY B 22 -6.282 -19.255 30.358 1.00 0.00 H ATOM 1753 N ASP B 23 -1.856 -18.936 29.891 1.00 30.41 N ATOM 1754 CA ASP B 23 -0.706 -18.022 29.941 1.00 29.96 C ATOM 1755 C ASP B 23 -1.105 -16.702 29.306 1.00 29.39 C ATOM 1756 O ASP B 23 -1.466 -16.650 28.125 1.00 27.98 O ATOM 1757 CB ASP B 23 0.493 -18.664 29.221 1.00 30.08 C ATOM 1758 CG ASP B 23 1.821 -17.901 29.439 1.00 32.15 C ATOM 1759 OD1 ASP B 23 1.811 -16.658 29.583 1.00 32.46 O ATOM 1760 OD2 ASP B 23 2.883 -18.568 29.453 1.00 34.75 O ATOM 1761 HA ASP B 23 -0.408 -17.832 30.972 1.00 0.00 H ATOM 1762 HB2 ASP B 23 0.614 -19.682 29.591 1.00 0.00 H ATOM 1763 HB3 ASP B 23 0.281 -18.690 28.152 1.00 0.00 H ATOM 1764 H ASP B 23 -1.744 -19.861 29.428 1.00 0.00 H ATOM 1765 N LYS B 24 -1.081 -15.625 30.080 1.00 30.53 N ATOM 1766 CA LYS B 24 -1.527 -14.358 29.537 1.00 31.52 C ATOM 1767 C LYS B 24 -0.523 -13.730 28.575 1.00 30.09 C ATOM 1768 O LYS B 24 -0.833 -12.733 27.913 1.00 29.51 O ATOM 1769 CB LYS B 24 -1.867 -13.392 30.669 1.00 33.14 C ATOM 1770 CG LYS B 24 -3.149 -13.772 31.385 1.00 38.17 C ATOM 1771 CD LYS B 24 -3.192 -13.132 32.746 1.00 44.58 C ATOM 1772 CE LYS B 24 -4.417 -13.574 33.565 1.00 48.68 C ATOM 1773 NZ LYS B 24 -5.658 -13.399 32.760 1.00 50.04 N ATOM 1774 HA LYS B 24 -2.423 -14.563 28.951 1.00 0.00 H ATOM 1775 HB2 LYS B 24 -1.049 -13.394 31.389 1.00 0.00 H ATOM 1776 HB3 LYS B 24 -1.981 -12.391 30.253 1.00 0.00 H ATOM 1777 HG2 LYS B 24 -4.003 -13.432 30.800 1.00 0.00 H ATOM 1778 HG3 LYS B 24 -3.193 -14.856 31.495 1.00 0.00 H ATOM 1779 HD2 LYS B 24 -2.289 -13.407 33.291 1.00 0.00 H ATOM 1780 HD3 LYS B 24 -3.225 -12.049 32.623 1.00 0.00 H ATOM 1781 HE2 LYS B 24 -4.485 -12.969 34.469 1.00 0.00 H ATOM 1782 HE3 LYS B 24 -4.309 -14.623 33.839 1.00 0.00 H ATOM 1783 HZ1 LYS B 24 -5.763 -12.397 32.500 1.00 0.00 H ATOM 1784 HZ2 LYS B 24 -5.595 -13.977 31.898 1.00 0.00 H ATOM 1785 HZ3 LYS B 24 -6.480 -13.700 33.322 1.00 0.00 H ATOM 1786 H LYS B 24 -0.747 -15.689 31.063 1.00 0.00 H ATOM 1787 N HIS B 25 0.670 -14.323 28.488 1.00 29.98 N ATOM 1788 CA HIS B 25 1.740 -13.798 27.625 1.00 30.11 C ATOM 1789 C HIS B 25 1.971 -14.629 26.361 1.00 28.85 C ATOM 1790 O HIS B 25 2.929 -14.401 25.623 1.00 28.78 O ATOM 1791 CB HIS B 25 3.039 -13.696 28.429 1.00 32.35 C ATOM 1792 CG HIS B 25 2.905 -12.912 29.697 1.00 37.37 C ATOM 1793 ND1 HIS B 25 2.533 -11.588 29.712 1.00 42.20 N ATOM 1794 CD2 HIS B 25 3.095 -13.267 30.991 1.00 43.79 C ATOM 1795 CE1 HIS B 25 2.494 -11.156 30.961 1.00 42.60 C ATOM 1796 NE2 HIS B 25 2.837 -12.153 31.757 1.00 46.75 N ATOM 1797 HA HIS B 25 1.418 -12.813 27.287 1.00 0.00 H ATOM 1798 HB2 HIS B 25 3.367 -14.704 28.681 1.00 0.00 H ATOM 1799 HB3 HIS B 25 3.793 -13.215 27.805 1.00 0.00 H ATOM 1800 HD2 HIS B 25 3.395 -14.249 31.356 1.00 0.00 H ATOM 1801 HE1 HIS B 25 2.225 -10.149 31.280 1.00 0.00 H ATOM 1802 H HIS B 25 0.848 -15.182 29.047 1.00 0.00 H ATOM 1803 N LYS B 26 1.117 -15.620 26.121 1.00 27.44 N ATOM 1804 CA LYS B 26 1.247 -16.437 24.913 1.00 25.81 C ATOM 1805 C LYS B 26 -0.124 -16.693 24.303 1.00 25.23 C ATOM 1806 O LYS B 26 -1.154 -16.679 25.003 1.00 28.01 O ATOM 1807 CB LYS B 26 1.924 -17.786 25.218 1.00 25.77 C ATOM 1808 CG LYS B 26 3.318 -17.694 25.862 1.00 27.26 C ATOM 1809 CD LYS B 26 3.868 -19.067 26.126 1.00 29.41 C ATOM 1810 CE LYS B 26 5.229 -19.004 26.776 1.00 31.93 C ATOM 1811 NZ LYS B 26 5.592 -20.398 27.232 1.00 38.07 N ATOM 1812 HA LYS B 26 1.870 -15.886 24.208 1.00 0.00 H ATOM 1813 HB2 LYS B 26 1.276 -18.342 25.896 1.00 0.00 H ATOM 1814 HB3 LYS B 26 2.022 -18.333 24.280 1.00 0.00 H ATOM 1815 HG2 LYS B 26 3.990 -17.162 25.189 1.00 0.00 H ATOM 1816 HG3 LYS B 26 3.243 -17.150 26.804 1.00 0.00 H ATOM 1817 HD2 LYS B 26 3.185 -19.601 26.786 1.00 0.00 H ATOM 1818 HD3 LYS B 26 3.952 -19.603 25.181 1.00 0.00 H ATOM 1819 HE2 LYS B 26 5.200 -18.330 27.632 1.00 0.00 H ATOM 1820 HE3 LYS B 26 5.966 -18.645 26.058 1.00 0.00 H ATOM 1821 HZ1 LYS B 26 4.882 -20.734 27.914 1.00 0.00 H ATOM 1822 HZ2 LYS B 26 5.614 -21.035 26.410 1.00 0.00 H ATOM 1823 HZ3 LYS B 26 6.528 -20.381 27.684 1.00 0.00 H ATOM 1824 H LYS B 26 0.351 -15.816 26.797 1.00 0.00 H ATOM 1825 N LEU B 27 -0.141 -16.935 22.991 1.00 25.00 N ATOM 1826 CA LEU B 27 -1.354 -17.322 22.278 1.00 24.91 C ATOM 1827 C LEU B 27 -1.382 -18.841 22.201 1.00 25.76 C ATOM 1828 O LEU B 27 -0.540 -19.436 21.527 1.00 26.49 O ATOM 1829 CB LEU B 27 -1.372 -16.771 20.855 1.00 24.91 C ATOM 1830 CG LEU B 27 -1.351 -15.240 20.715 1.00 24.07 C ATOM 1831 CD1 LEU B 27 -0.858 -14.855 19.291 1.00 25.23 C ATOM 1832 CD2 LEU B 27 -2.704 -14.637 20.992 1.00 26.83 C ATOM 1833 HA LEU B 27 -2.217 -16.921 22.810 1.00 0.00 H ATOM 1834 HB2 LEU B 27 -0.498 -17.164 20.336 1.00 0.00 H ATOM 1835 HB3 LEU B 27 -2.277 -17.136 20.369 1.00 0.00 H ATOM 1836 HG LEU B 27 -0.662 -14.837 21.457 1.00 0.00 H ATOM 1837 HD21 LEU B 27 -3.430 -15.037 20.285 1.00 0.00 H ATOM 1838 HD22 LEU B 27 -3.010 -14.885 22.008 1.00 0.00 H ATOM 1839 HD23 LEU B 27 -2.647 -13.554 20.883 1.00 0.00 H ATOM 1840 HD11 LEU B 27 0.147 -15.248 19.137 1.00 0.00 H ATOM 1841 HD12 LEU B 27 -1.533 -15.279 18.547 1.00 0.00 H ATOM 1842 HD13 LEU B 27 -0.844 -13.769 19.194 1.00 0.00 H ATOM 1843 H LEU B 27 0.746 -16.844 22.455 1.00 0.00 H ATOM 1844 N LYS B 28 -2.338 -19.468 22.875 1.00 25.77 N ATOM 1845 CA LYS B 28 -2.591 -20.892 22.629 1.00 26.39 C ATOM 1846 C LYS B 28 -3.381 -21.024 21.320 1.00 26.04 C ATOM 1847 O LYS B 28 -3.829 -20.026 20.777 1.00 27.20 O ATOM 1848 CB LYS B 28 -3.328 -21.579 23.794 1.00 27.83 C ATOM 1849 CG LYS B 28 -4.724 -21.037 24.105 1.00 29.55 C ATOM 1850 CD LYS B 28 -5.206 -21.498 25.497 1.00 30.79 C ATOM 1851 CE LYS B 28 -5.510 -22.970 25.541 1.00 34.51 C ATOM 1852 NZ LYS B 28 -6.900 -23.295 25.090 1.00 34.67 N ATOM 1853 HA LYS B 28 -1.632 -21.404 22.546 1.00 0.00 H ATOM 1854 HB2 LYS B 28 -3.425 -22.637 23.552 1.00 0.00 H ATOM 1855 HB3 LYS B 28 -2.717 -21.467 24.690 1.00 0.00 H ATOM 1856 HG2 LYS B 28 -4.696 -19.948 24.081 1.00 0.00 H ATOM 1857 HG3 LYS B 28 -5.422 -21.398 23.350 1.00 0.00 H ATOM 1858 HD2 LYS B 28 -4.427 -21.279 26.227 1.00 0.00 H ATOM 1859 HD3 LYS B 28 -6.110 -20.946 25.755 1.00 0.00 H ATOM 1860 HE2 LYS B 28 -5.387 -23.320 26.566 1.00 0.00 H ATOM 1861 HE3 LYS B 28 -4.804 -23.490 24.893 1.00 0.00 H ATOM 1862 HZ1 LYS B 28 -7.585 -22.812 25.706 1.00 0.00 H ATOM 1863 HZ2 LYS B 28 -7.029 -22.975 24.109 1.00 0.00 H ATOM 1864 HZ3 LYS B 28 -7.049 -24.323 25.143 1.00 0.00 H ATOM 1865 H LYS B 28 -2.906 -18.951 23.576 1.00 0.00 H ATOM 1866 N LYS B 29 -3.549 -22.237 20.807 1.00 28.04 N ATOM 1867 CA LYS B 29 -4.182 -22.418 19.485 1.00 27.32 C ATOM 1868 C LYS B 29 -5.545 -21.753 19.384 1.00 28.55 C ATOM 1869 O LYS B 29 -5.870 -21.139 18.373 1.00 27.71 O ATOM 1870 CB LYS B 29 -4.264 -23.901 19.092 1.00 28.72 C ATOM 1871 CG LYS B 29 -2.903 -24.467 18.640 1.00 29.15 C ATOM 1872 CD LYS B 29 -3.029 -25.941 18.207 1.00 31.72 C ATOM 1873 CE LYS B 29 -3.570 -26.840 19.305 1.00 38.06 C ATOM 1874 NZ LYS B 29 -2.533 -27.049 20.351 1.00 41.67 N ATOM 1875 HA LYS B 29 -3.532 -21.913 18.771 1.00 0.00 H ATOM 1876 HB2 LYS B 29 -4.612 -24.472 19.952 1.00 0.00 H ATOM 1877 HB3 LYS B 29 -4.976 -24.007 18.274 1.00 0.00 H ATOM 1878 HG2 LYS B 29 -2.535 -23.879 17.799 1.00 0.00 H ATOM 1879 HG3 LYS B 29 -2.196 -24.398 19.467 1.00 0.00 H ATOM 1880 HD2 LYS B 29 -3.702 -25.995 17.351 1.00 0.00 H ATOM 1881 HD3 LYS B 29 -2.043 -26.303 17.916 1.00 0.00 H ATOM 1882 HE2 LYS B 29 -3.851 -27.803 18.878 1.00 0.00 H ATOM 1883 HE3 LYS B 29 -4.447 -26.374 19.754 1.00 0.00 H ATOM 1884 HZ1 LYS B 29 -1.697 -27.496 19.924 1.00 0.00 H ATOM 1885 HZ2 LYS B 29 -2.266 -26.131 20.761 1.00 0.00 H ATOM 1886 HZ3 LYS B 29 -2.914 -27.665 21.097 1.00 0.00 H ATOM 1887 H LYS B 29 -3.231 -23.070 21.343 1.00 0.00 H ATOM 1888 N SER B 30 -6.344 -21.858 20.443 1.00 28.90 N ATOM 1889 CA SER B 30 -7.682 -21.278 20.412 1.00 29.99 C ATOM 1890 C SER B 30 -7.605 -19.756 20.267 1.00 28.92 C ATOM 1891 O SER B 30 -8.387 -19.160 19.519 1.00 30.38 O ATOM 1892 CB SER B 30 -8.510 -21.705 21.646 1.00 31.04 C ATOM 1893 OG SER B 30 -7.793 -21.413 22.835 1.00 32.34 O ATOM 1894 HA SER B 30 -8.204 -21.665 19.537 1.00 0.00 H ATOM 1895 HB2 SER B 30 -8.707 -22.776 21.596 1.00 0.00 H ATOM 1896 HB3 SER B 30 -9.456 -21.163 21.652 1.00 0.00 H ATOM 1897 HG SER B 30 -7.616 -20.440 22.881 1.00 0.00 H ATOM 1898 H SER B 30 -6.014 -22.355 21.295 1.00 0.00 H ATOM 1899 N GLU B 31 -6.641 -19.129 20.941 1.00 27.62 N ATOM 1900 CA GLU B 31 -6.497 -17.668 20.854 1.00 26.92 C ATOM 1901 C GLU B 31 -6.006 -17.243 19.479 1.00 26.49 C ATOM 1902 O GLU B 31 -6.462 -16.228 18.923 1.00 27.41 O ATOM 1903 CB GLU B 31 -5.550 -17.160 21.939 1.00 26.16 C ATOM 1904 CG GLU B 31 -6.109 -17.276 23.368 1.00 27.58 C ATOM 1905 CD GLU B 31 -5.012 -17.144 24.423 1.00 30.36 C ATOM 1906 OE1 GLU B 31 -3.845 -17.504 24.173 1.00 29.12 O ATOM 1907 OE2 GLU B 31 -5.292 -16.657 25.505 1.00 29.14 O ATOM 1908 HA GLU B 31 -7.480 -17.224 21.011 1.00 0.00 H ATOM 1909 HB2 GLU B 31 -4.627 -17.737 21.885 1.00 0.00 H ATOM 1910 HB3 GLU B 31 -5.334 -16.110 21.740 1.00 0.00 H ATOM 1911 HG2 GLU B 31 -6.845 -16.487 23.524 1.00 0.00 H ATOM 1912 HG3 GLU B 31 -6.591 -18.247 23.480 1.00 0.00 H ATOM 1913 H GLU B 31 -5.985 -19.677 21.533 1.00 0.00 H ATOM 1914 N LEU B 32 -5.062 -18.006 18.948 1.00 26.03 N ATOM 1915 CA LEU B 32 -4.477 -17.750 17.625 1.00 25.92 C ATOM 1916 C LEU B 32 -5.544 -17.852 16.531 1.00 27.18 C ATOM 1917 O LEU B 32 -5.583 -17.036 15.605 1.00 27.06 O ATOM 1918 CB LEU B 32 -3.332 -18.737 17.368 1.00 25.86 C ATOM 1919 CG LEU B 32 -2.648 -18.591 16.016 1.00 26.98 C ATOM 1920 CD1 LEU B 32 -1.981 -17.211 15.847 1.00 26.89 C ATOM 1921 CD2 LEU B 32 -1.677 -19.734 15.851 1.00 29.85 C ATOM 1922 HA LEU B 32 -4.078 -16.736 17.604 1.00 0.00 H ATOM 1923 HB2 LEU B 32 -2.581 -18.593 18.145 1.00 0.00 H ATOM 1924 HB3 LEU B 32 -3.735 -19.748 17.436 1.00 0.00 H ATOM 1925 HG LEU B 32 -3.392 -18.640 15.221 1.00 0.00 H ATOM 1926 HD21 LEU B 32 -0.937 -19.699 16.651 1.00 0.00 H ATOM 1927 HD22 LEU B 32 -2.219 -20.679 15.897 1.00 0.00 H ATOM 1928 HD23 LEU B 32 -1.176 -19.647 14.887 1.00 0.00 H ATOM 1929 HD11 LEU B 32 -2.737 -16.431 15.931 1.00 0.00 H ATOM 1930 HD12 LEU B 32 -1.229 -17.075 16.624 1.00 0.00 H ATOM 1931 HD13 LEU B 32 -1.507 -17.156 14.867 1.00 0.00 H ATOM 1932 H LEU B 32 -4.720 -18.823 19.492 1.00 0.00 H ATOM 1933 N LYS B 33 -6.425 -18.830 16.661 1.00 28.42 N ATOM 1934 CA LYS B 33 -7.557 -18.988 15.750 1.00 29.38 C ATOM 1935 C LYS B 33 -8.450 -17.761 15.794 1.00 30.95 C ATOM 1936 O LYS B 33 -8.803 -17.231 14.743 1.00 30.67 O ATOM 1937 CB LYS B 33 -8.357 -20.242 16.087 1.00 31.23 C ATOM 1938 CG LYS B 33 -9.601 -20.431 15.216 1.00 33.14 C ATOM 1939 CD LYS B 33 -10.343 -21.742 15.557 1.00 36.00 C ATOM 1940 CE LYS B 33 -11.584 -21.867 14.690 1.00 39.85 C ATOM 1941 NZ LYS B 33 -12.481 -22.987 15.092 1.00 44.15 N ATOM 1942 HA LYS B 33 -7.165 -19.097 14.739 1.00 0.00 H ATOM 1943 HB2 LYS B 33 -7.710 -21.109 15.956 1.00 0.00 H ATOM 1944 HB3 LYS B 33 -8.672 -20.180 17.129 1.00 0.00 H ATOM 1945 HG2 LYS B 33 -10.276 -19.590 15.377 1.00 0.00 H ATOM 1946 HG3 LYS B 33 -9.299 -20.458 14.169 1.00 0.00 H ATOM 1947 HD2 LYS B 33 -9.684 -22.590 15.372 1.00 0.00 H ATOM 1948 HD3 LYS B 33 -10.634 -21.732 16.607 1.00 0.00 H ATOM 1949 HE2 LYS B 33 -11.270 -22.030 13.659 1.00 0.00 H ATOM 1950 HE3 LYS B 33 -12.145 -20.935 14.755 1.00 0.00 H ATOM 1951 HZ1 LYS B 33 -11.962 -23.886 15.025 1.00 0.00 H ATOM 1952 HZ2 LYS B 33 -12.799 -22.841 16.071 1.00 0.00 H ATOM 1953 HZ3 LYS B 33 -13.306 -23.013 14.459 1.00 0.00 H ATOM 1954 H LYS B 33 -6.308 -19.510 17.439 1.00 0.00 H ATOM 1955 N GLU B 34 -8.841 -17.336 17.003 1.00 30.10 N ATOM 1956 CA GLU B 34 -9.627 -16.103 17.144 1.00 31.22 C ATOM 1957 C GLU B 34 -8.947 -14.876 16.514 1.00 29.47 C ATOM 1958 O GLU B 34 -9.595 -14.101 15.802 1.00 30.33 O ATOM 1959 CB GLU B 34 -9.970 -15.839 18.611 1.00 32.33 C ATOM 1960 CG GLU B 34 -10.865 -16.916 19.207 1.00 36.64 C ATOM 1961 CD GLU B 34 -12.126 -17.122 18.412 1.00 43.04 C ATOM 1962 OE1 GLU B 34 -12.900 -16.155 18.280 1.00 45.28 O ATOM 1963 OE2 GLU B 34 -12.369 -18.262 17.944 1.00 48.47 O ATOM 1964 HA GLU B 34 -10.551 -16.264 16.588 1.00 0.00 H ATOM 1965 HB2 GLU B 34 -9.044 -15.798 19.184 1.00 0.00 H ATOM 1966 HB3 GLU B 34 -10.483 -14.880 18.683 1.00 0.00 H ATOM 1967 HG2 GLU B 34 -10.312 -17.855 19.235 1.00 0.00 H ATOM 1968 HG3 GLU B 34 -11.135 -16.624 20.222 1.00 0.00 H ATOM 1969 H GLU B 34 -8.586 -17.884 17.849 1.00 0.00 H ATOM 1970 N LEU B 35 -7.651 -14.710 16.755 1.00 26.95 N ATOM 1971 CA LEU B 35 -6.924 -13.559 16.215 1.00 26.52 C ATOM 1972 C LEU B 35 -6.968 -13.565 14.690 1.00 26.61 C ATOM 1973 O LEU B 35 -7.279 -12.560 14.059 1.00 26.68 O ATOM 1974 CB LEU B 35 -5.481 -13.562 16.727 1.00 25.04 C ATOM 1975 CG LEU B 35 -4.598 -12.353 16.375 1.00 24.63 C ATOM 1976 CD1 LEU B 35 -3.494 -12.262 17.402 1.00 25.86 C ATOM 1977 CD2 LEU B 35 -3.988 -12.486 15.002 1.00 25.81 C ATOM 1978 HA LEU B 35 -7.406 -12.644 16.558 1.00 0.00 H ATOM 1979 HB2 LEU B 35 -5.521 -13.632 17.814 1.00 0.00 H ATOM 1980 HB3 LEU B 35 -4.994 -14.450 16.325 1.00 0.00 H ATOM 1981 HG LEU B 35 -5.217 -11.456 16.377 1.00 0.00 H ATOM 1982 HD21 LEU B 35 -3.371 -13.384 14.965 1.00 0.00 H ATOM 1983 HD22 LEU B 35 -4.782 -12.559 14.259 1.00 0.00 H ATOM 1984 HD23 LEU B 35 -3.372 -11.611 14.793 1.00 0.00 H ATOM 1985 HD11 LEU B 35 -3.931 -12.133 18.392 1.00 0.00 H ATOM 1986 HD12 LEU B 35 -2.903 -13.178 17.381 1.00 0.00 H ATOM 1987 HD13 LEU B 35 -2.854 -11.410 17.172 1.00 0.00 H ATOM 1988 H LEU B 35 -7.145 -15.408 17.336 1.00 0.00 H ATOM 1989 N ILE B 36 -6.660 -14.706 14.092 1.00 27.51 N ATOM 1990 CA ILE B 36 -6.673 -14.803 12.629 1.00 26.96 C ATOM 1991 C ILE B 36 -8.048 -14.525 12.041 1.00 29.14 C ATOM 1992 O ILE B 36 -8.194 -13.773 11.067 1.00 29.32 O ATOM 1993 CB ILE B 36 -6.121 -16.172 12.165 1.00 27.60 C ATOM 1994 CG1 ILE B 36 -4.606 -16.234 12.410 1.00 27.20 C ATOM 1995 CG2 ILE B 36 -6.413 -16.454 10.663 1.00 28.88 C ATOM 1996 CD1 ILE B 36 -4.050 -17.675 12.386 1.00 27.92 C ATOM 1997 HA ILE B 36 -6.013 -14.024 12.247 1.00 0.00 H ATOM 1998 HB ILE B 36 -6.631 -16.938 12.749 1.00 0.00 H ATOM 1999 HG12 ILE B 36 -4.104 -15.655 11.635 1.00 0.00 H ATOM 2000 HG13 ILE B 36 -4.393 -15.795 13.385 1.00 0.00 H ATOM 2001 HD11 ILE B 36 -4.536 -18.264 13.164 1.00 0.00 H ATOM 2002 HD12 ILE B 36 -4.247 -18.123 11.412 1.00 0.00 H ATOM 2003 HD13 ILE B 36 -2.975 -17.651 12.565 1.00 0.00 H ATOM 2004 HG21 ILE B 36 -7.490 -16.452 10.497 1.00 0.00 H ATOM 2005 HG22 ILE B 36 -5.949 -15.680 10.052 1.00 0.00 H ATOM 2006 HG23 ILE B 36 -6.004 -17.427 10.391 1.00 0.00 H ATOM 2007 H ILE B 36 -6.408 -15.538 14.663 1.00 0.00 H ATOM 2008 N ASN B 37 -9.078 -15.115 12.643 1.00 29.15 N ATOM 2009 CA ASN B 37 -10.434 -14.992 12.111 1.00 32.60 C ATOM 2010 C ASN B 37 -11.030 -13.609 12.282 1.00 33.28 C ATOM 2011 O ASN B 37 -11.778 -13.148 11.429 1.00 35.44 O ATOM 2012 CB ASN B 37 -11.330 -16.050 12.739 1.00 33.73 C ATOM 2013 CG ASN B 37 -11.053 -17.421 12.191 1.00 35.34 C ATOM 2014 OD1 ASN B 37 -10.316 -17.559 11.212 1.00 38.21 O ATOM 2015 ND2 ASN B 37 -11.629 -18.451 12.810 1.00 37.78 N ATOM 2016 HA ASN B 37 -10.368 -15.153 11.035 1.00 0.00 H ATOM 2017 HB2 ASN B 37 -11.161 -16.061 13.816 1.00 0.00 H ATOM 2018 HB3 ASN B 37 -12.370 -15.794 12.538 1.00 0.00 H ATOM 2019 HD22 ASN B 37 -12.243 -18.286 13.633 1.00 0.00 H ATOM 2020 HD21 ASN B 37 -11.464 -19.420 12.470 1.00 0.00 H ATOM 2021 H ASN B 37 -8.916 -15.673 13.506 1.00 0.00 H ATOM 2022 N ASN B 38 -10.671 -12.944 13.372 1.00 32.47 N ATOM 2023 CA ASN B 38 -11.220 -11.631 13.666 1.00 33.09 C ATOM 2024 C ASN B 38 -10.382 -10.441 13.206 1.00 31.78 C ATOM 2025 O ASN B 38 -10.947 -9.363 12.971 1.00 32.45 O ATOM 2026 CB ASN B 38 -11.495 -11.508 15.157 1.00 33.86 C ATOM 2027 CG ASN B 38 -12.649 -12.363 15.595 1.00 36.42 C ATOM 2028 OD1 ASN B 38 -13.784 -12.084 15.262 1.00 42.66 O ATOM 2029 ND2 ASN B 38 -12.364 -13.409 16.333 1.00 41.26 N ATOM 2030 HA ASN B 38 -12.138 -11.578 13.080 1.00 0.00 H ATOM 2031 HB2 ASN B 38 -10.604 -11.814 15.705 1.00 0.00 H ATOM 2032 HB3 ASN B 38 -11.722 -10.467 15.387 1.00 0.00 H ATOM 2033 HD22 ASN B 38 -11.377 -13.608 16.594 1.00 0.00 H ATOM 2034 HD21 ASN B 38 -13.125 -14.039 16.658 1.00 0.00 H ATOM 2035 H ASN B 38 -9.985 -13.370 14.028 1.00 0.00 H ATOM 2036 N GLU B 39 -9.059 -10.611 13.086 1.00 29.66 N ATOM 2037 CA GLU B 39 -8.155 -9.489 12.795 1.00 28.26 C ATOM 2038 C GLU B 39 -7.394 -9.639 11.481 1.00 28.19 C ATOM 2039 O GLU B 39 -6.731 -8.701 11.054 1.00 29.10 O ATOM 2040 CB GLU B 39 -7.136 -9.279 13.931 1.00 26.70 C ATOM 2041 CG GLU B 39 -7.766 -9.301 15.344 1.00 27.48 C ATOM 2042 CD GLU B 39 -8.832 -8.246 15.576 1.00 29.13 C ATOM 2043 OE1 GLU B 39 -8.828 -7.210 14.871 1.00 28.76 O ATOM 2044 OE2 GLU B 39 -9.704 -8.437 16.482 1.00 28.44 O ATOM 2045 HA GLU B 39 -8.808 -8.621 12.706 1.00 0.00 H ATOM 2046 HB2 GLU B 39 -6.389 -10.071 13.875 1.00 0.00 H ATOM 2047 HB3 GLU B 39 -6.652 -8.314 13.785 1.00 0.00 H ATOM 2048 HG2 GLU B 39 -8.217 -10.281 15.500 1.00 0.00 H ATOM 2049 HG3 GLU B 39 -6.971 -9.148 16.074 1.00 0.00 H ATOM 2050 H GLU B 39 -8.660 -11.564 13.202 1.00 0.00 H ATOM 2051 N LEU B 40 -7.476 -10.810 10.860 1.00 29.17 N ATOM 2052 CA LEU B 40 -6.861 -11.016 9.545 1.00 28.82 C ATOM 2053 C LEU B 40 -7.857 -11.518 8.519 1.00 31.56 C ATOM 2054 O LEU B 40 -7.499 -12.260 7.607 1.00 31.99 O ATOM 2055 CB LEU B 40 -5.644 -11.965 9.658 1.00 27.69 C ATOM 2056 CG LEU B 40 -4.474 -11.337 10.397 1.00 26.43 C ATOM 2057 CD1 LEU B 40 -3.504 -12.404 10.878 1.00 25.48 C ATOM 2058 CD2 LEU B 40 -3.771 -10.278 9.548 1.00 27.52 C ATOM 2059 HA LEU B 40 -6.511 -10.046 9.192 1.00 0.00 H ATOM 2060 HB2 LEU B 40 -5.951 -12.864 10.192 1.00 0.00 H ATOM 2061 HB3 LEU B 40 -5.318 -12.234 8.654 1.00 0.00 H ATOM 2062 HG LEU B 40 -4.871 -10.826 11.274 1.00 0.00 H ATOM 2063 HD21 LEU B 40 -3.393 -10.738 8.635 1.00 0.00 H ATOM 2064 HD22 LEU B 40 -4.479 -9.490 9.293 1.00 0.00 H ATOM 2065 HD23 LEU B 40 -2.941 -9.854 10.113 1.00 0.00 H ATOM 2066 HD11 LEU B 40 -4.021 -13.086 11.553 1.00 0.00 H ATOM 2067 HD12 LEU B 40 -3.122 -12.959 10.021 1.00 0.00 H ATOM 2068 HD13 LEU B 40 -2.675 -11.930 11.404 1.00 0.00 H ATOM 2069 H LEU B 40 -7.985 -11.595 11.314 1.00 0.00 H ATOM 2070 N SER B 41 -9.109 -11.102 8.658 1.00 31.19 N ATOM 2071 CA SER B 41 -10.164 -11.610 7.792 1.00 34.29 C ATOM 2072 C SER B 41 -10.060 -11.148 6.347 1.00 35.52 C ATOM 2073 O SER B 41 -10.655 -11.772 5.461 1.00 38.59 O ATOM 2074 CB SER B 41 -11.552 -11.293 8.365 1.00 35.06 C ATOM 2075 OG SER B 41 -11.862 -9.933 8.235 1.00 36.17 O ATOM 2076 HA SER B 41 -10.024 -12.691 7.770 1.00 0.00 H ATOM 2077 HB2 SER B 41 -11.569 -11.561 9.421 1.00 0.00 H ATOM 2078 HB3 SER B 41 -12.299 -11.880 7.830 1.00 0.00 H ATOM 2079 HG SER B 41 -11.190 -9.394 8.723 1.00 0.00 H ATOM 2080 H SER B 41 -9.340 -10.405 9.394 1.00 0.00 H ATOM 2081 N HIS B 42 -9.299 -10.078 6.100 1.00 35.56 N ATOM 2082 CA HIS B 42 -9.129 -9.584 4.726 1.00 37.44 C ATOM 2083 C HIS B 42 -7.864 -10.121 4.082 1.00 37.64 C ATOM 2084 O HIS B 42 -7.736 -10.075 2.859 1.00 40.24 O ATOM 2085 CB HIS B 42 -9.136 -8.060 4.676 1.00 37.02 C ATOM 2086 CG HIS B 42 -10.386 -7.461 5.236 1.00 37.74 C ATOM 2087 ND1 HIS B 42 -10.413 -6.812 6.453 1.00 36.19 N ATOM 2088 CD2 HIS B 42 -11.660 -7.466 4.780 1.00 40.42 C ATOM 2089 CE1 HIS B 42 -11.652 -6.423 6.710 1.00 38.43 C ATOM 2090 NE2 HIS B 42 -12.425 -6.804 5.707 1.00 40.75 N ATOM 2091 HA HIS B 42 -9.981 -9.954 4.156 1.00 0.00 H ATOM 2092 HB2 HIS B 42 -8.286 -7.690 5.250 1.00 0.00 H ATOM 2093 HB3 HIS B 42 -9.036 -7.746 3.637 1.00 0.00 H ATOM 2094 HD2 HIS B 42 -12.013 -7.912 3.850 1.00 0.00 H ATOM 2095 HE1 HIS B 42 -11.979 -5.881 7.597 1.00 0.00 H ATOM 2096 H HIS B 42 -8.823 -9.591 6.886 1.00 0.00 H ATOM 2097 N PHE B 43 -6.958 -10.643 4.901 1.00 36.80 N ATOM 2098 CA PHE B 43 -5.683 -11.158 4.396 1.00 37.14 C ATOM 2099 C PHE B 43 -5.607 -12.684 4.375 1.00 38.60 C ATOM 2100 O PHE B 43 -4.941 -13.252 3.510 1.00 40.54 O ATOM 2101 CB PHE B 43 -4.486 -10.625 5.202 1.00 35.26 C ATOM 2102 CG PHE B 43 -4.255 -9.123 5.106 1.00 35.10 C ATOM 2103 CD1 PHE B 43 -4.942 -8.319 4.205 1.00 37.17 C ATOM 2104 CD2 PHE B 43 -3.273 -8.535 5.905 1.00 34.19 C ATOM 2105 CE1 PHE B 43 -4.700 -6.952 4.138 1.00 35.75 C ATOM 2106 CE2 PHE B 43 -3.020 -7.153 5.826 1.00 32.47 C ATOM 2107 CZ PHE B 43 -3.727 -6.386 4.939 1.00 31.76 C ATOM 2108 HA PHE B 43 -5.632 -10.797 3.369 1.00 0.00 H ATOM 2109 HB2 PHE B 43 -4.647 -10.875 6.251 1.00 0.00 H ATOM 2110 HB3 PHE B 43 -3.588 -11.128 4.844 1.00 0.00 H ATOM 2111 HD2 PHE B 43 -2.698 -9.151 6.596 1.00 0.00 H ATOM 2112 HE2 PHE B 43 -2.266 -6.696 6.467 1.00 0.00 H ATOM 2113 HZ PHE B 43 -3.520 -5.318 4.864 1.00 0.00 H ATOM 2114 HE1 PHE B 43 -5.277 -6.328 3.455 1.00 0.00 H ATOM 2115 HD1 PHE B 43 -5.681 -8.767 3.541 1.00 0.00 H ATOM 2116 H PHE B 43 -7.158 -10.687 5.921 1.00 0.00 H ATOM 2117 N LEU B 44 -6.239 -13.342 5.349 1.00 38.15 N ATOM 2118 CA LEU B 44 -6.177 -14.796 5.456 1.00 38.29 C ATOM 2119 C LEU B 44 -7.568 -15.419 5.408 1.00 40.59 C ATOM 2120 O LEU B 44 -8.558 -14.793 5.808 1.00 40.25 O ATOM 2121 CB LEU B 44 -5.418 -15.224 6.723 1.00 36.53 C ATOM 2122 CG LEU B 44 -3.933 -14.834 6.845 1.00 35.44 C ATOM 2123 CD1 LEU B 44 -3.405 -15.296 8.181 1.00 34.50 C ATOM 2124 CD2 LEU B 44 -3.055 -15.381 5.693 1.00 40.60 C ATOM 2125 HA LEU B 44 -5.624 -15.167 4.593 1.00 0.00 H ATOM 2126 HB2 LEU B 44 -5.939 -14.788 7.576 1.00 0.00 H ATOM 2127 HB3 LEU B 44 -5.473 -16.311 6.782 1.00 0.00 H ATOM 2128 HG LEU B 44 -3.877 -13.748 6.771 1.00 0.00 H ATOM 2129 HD21 LEU B 44 -3.108 -16.470 5.683 1.00 0.00 H ATOM 2130 HD22 LEU B 44 -3.419 -14.990 4.743 1.00 0.00 H ATOM 2131 HD23 LEU B 44 -2.022 -15.067 5.845 1.00 0.00 H ATOM 2132 HD11 LEU B 44 -3.975 -14.821 8.979 1.00 0.00 H ATOM 2133 HD12 LEU B 44 -3.506 -16.379 8.256 1.00 0.00 H ATOM 2134 HD13 LEU B 44 -2.354 -15.021 8.270 1.00 0.00 H ATOM 2135 H LEU B 44 -6.789 -12.805 6.049 1.00 0.00 H ATOM 2136 N GLU B 45 -7.639 -16.636 4.868 1.00 42.15 N ATOM 2137 CA GLU B 45 -8.875 -17.383 4.814 1.00 44.31 C ATOM 2138 C GLU B 45 -9.261 -17.781 6.237 1.00 42.75 C ATOM 2139 O GLU B 45 -8.397 -18.110 7.046 1.00 40.28 O ATOM 2140 CB GLU B 45 -8.687 -18.619 3.928 1.00 47.62 C ATOM 2141 CG GLU B 45 -9.896 -18.972 3.059 1.00 54.20 C ATOM 2142 CD GLU B 45 -9.507 -19.606 1.720 1.00 60.92 C ATOM 2143 OE1 GLU B 45 -8.476 -20.316 1.666 1.00 63.17 O ATOM 2144 OE2 GLU B 45 -10.233 -19.394 0.717 1.00 65.42 O ATOM 2145 HA GLU B 45 -9.673 -16.778 4.384 1.00 0.00 H ATOM 2146 HB2 GLU B 45 -7.836 -18.440 3.270 1.00 0.00 H ATOM 2147 HB3 GLU B 45 -8.472 -19.471 4.574 1.00 0.00 H ATOM 2148 HG2 GLU B 45 -10.524 -19.674 3.607 1.00 0.00 H ATOM 2149 HG3 GLU B 45 -10.460 -18.060 2.861 1.00 0.00 H ATOM 2150 H GLU B 45 -6.776 -17.062 4.473 1.00 0.00 H ATOM 2151 N GLU B 46 -10.551 -17.709 6.544 1.00 42.90 N ATOM 2152 CA GLU B 46 -11.059 -18.091 7.862 1.00 42.41 C ATOM 2153 C GLU B 46 -10.679 -19.525 8.205 1.00 42.44 C ATOM 2154 O GLU B 46 -10.762 -20.417 7.362 1.00 43.95 O ATOM 2155 CB GLU B 46 -12.584 -17.937 7.892 1.00 44.46 C ATOM 2156 CG GLU B 46 -13.202 -18.064 9.276 1.00 44.57 C ATOM 2157 CD GLU B 46 -14.718 -18.043 9.242 1.00 50.01 C ATOM 2158 OE1 GLU B 46 -15.286 -17.672 8.195 1.00 53.37 O ATOM 2159 OE2 GLU B 46 -15.340 -18.406 10.262 1.00 50.71 O ATOM 2160 HA GLU B 46 -10.608 -17.433 8.605 1.00 0.00 H ATOM 2161 HB2 GLU B 46 -12.835 -16.953 7.495 1.00 0.00 H ATOM 2162 HB3 GLU B 46 -13.017 -18.707 7.253 1.00 0.00 H ATOM 2163 HG2 GLU B 46 -12.875 -19.005 9.719 1.00 0.00 H ATOM 2164 HG3 GLU B 46 -12.855 -17.234 9.891 1.00 0.00 H ATOM 2165 H GLU B 46 -11.222 -17.370 5.825 1.00 0.00 H ATOM 2166 N ILE B 47 -10.258 -19.741 9.445 1.00 41.22 N ATOM 2167 CA ILE B 47 -9.920 -21.075 9.923 1.00 42.04 C ATOM 2168 C ILE B 47 -11.145 -21.686 10.566 1.00 44.45 C ATOM 2169 O ILE B 47 -11.666 -21.160 11.559 1.00 43.83 O ATOM 2170 CB ILE B 47 -8.781 -21.020 10.965 1.00 40.15 C ATOM 2171 CG1 ILE B 47 -7.542 -20.378 10.345 1.00 37.28 C ATOM 2172 CG2 ILE B 47 -8.501 -22.429 11.525 1.00 41.59 C ATOM 2173 CD1 ILE B 47 -6.445 -20.106 11.330 1.00 34.57 C ATOM 2174 HA ILE B 47 -9.586 -21.675 9.077 1.00 0.00 H ATOM 2175 HB ILE B 47 -9.082 -20.398 11.808 1.00 0.00 H ATOM 2176 HG12 ILE B 47 -7.156 -21.047 9.576 1.00 0.00 H ATOM 2177 HG13 ILE B 47 -7.836 -19.433 9.888 1.00 0.00 H ATOM 2178 HD11 ILE B 47 -6.811 -19.428 12.101 1.00 0.00 H ATOM 2179 HD12 ILE B 47 -6.130 -21.043 11.789 1.00 0.00 H ATOM 2180 HD13 ILE B 47 -5.600 -19.650 10.814 1.00 0.00 H ATOM 2181 HG21 ILE B 47 -9.402 -22.815 12.001 1.00 0.00 H ATOM 2182 HG22 ILE B 47 -8.207 -23.091 10.710 1.00 0.00 H ATOM 2183 HG23 ILE B 47 -7.696 -22.374 12.258 1.00 0.00 H ATOM 2184 H ILE B 47 -10.167 -18.934 10.095 1.00 0.00 H ATOM 2185 N LYS B 48 -11.589 -22.805 10.002 1.00 47.46 N ATOM 2186 CA LYS B 48 -12.773 -23.514 10.493 1.00 50.66 C ATOM 2187 C LYS B 48 -12.435 -24.875 11.097 1.00 51.86 C ATOM 2188 O LYS B 48 -13.188 -25.372 11.936 1.00 53.81 O ATOM 2189 CB LYS B 48 -13.826 -23.658 9.391 1.00 53.74 C ATOM 2190 CG LYS B 48 -14.401 -22.326 8.938 1.00 55.09 C ATOM 2191 CD LYS B 48 -15.815 -22.464 8.439 1.00 60.94 C ATOM 2192 CE LYS B 48 -16.473 -21.095 8.278 1.00 62.29 C ATOM 2193 NZ LYS B 48 -17.868 -21.218 7.766 1.00 65.93 N ATOM 2194 HA LYS B 48 -13.189 -22.904 11.295 1.00 0.00 H ATOM 2195 HB2 LYS B 48 -13.366 -24.147 8.533 1.00 0.00 H ATOM 2196 HB3 LYS B 48 -14.640 -24.278 9.767 1.00 0.00 H ATOM 2197 HG2 LYS B 48 -14.390 -21.633 9.779 1.00 0.00 H ATOM 2198 HG3 LYS B 48 -13.781 -21.929 8.134 1.00 0.00 H ATOM 2199 HD2 LYS B 48 -15.805 -22.971 7.474 1.00 0.00 H ATOM 2200 HD3 LYS B 48 -16.389 -23.055 9.153 1.00 0.00 H ATOM 2201 HE2 LYS B 48 -15.888 -20.501 7.576 1.00 0.00 H ATOM 2202 HE3 LYS B 48 -16.493 -20.595 9.246 1.00 0.00 H ATOM 2203 HZ1 LYS B 48 -17.855 -21.690 6.839 1.00 0.00 H ATOM 2204 HZ2 LYS B 48 -18.433 -21.780 8.434 1.00 0.00 H ATOM 2205 HZ3 LYS B 48 -18.285 -20.270 7.668 1.00 0.00 H ATOM 2206 H LYS B 48 -11.077 -23.191 9.183 1.00 0.00 H ATOM 2207 N GLU B 49 -11.315 -25.470 10.669 1.00 51.78 N ATOM 2208 CA GLU B 49 -10.881 -26.798 11.144 1.00 53.15 C ATOM 2209 C GLU B 49 -9.695 -26.765 12.099 1.00 50.44 C ATOM 2210 O GLU B 49 -8.765 -25.973 11.922 1.00 48.88 O ATOM 2211 CB GLU B 49 -10.543 -27.726 9.981 1.00 55.65 C ATOM 2212 CG GLU B 49 -10.217 -27.035 8.672 1.00 58.45 C ATOM 2213 CD GLU B 49 -11.363 -27.106 7.674 1.00 63.89 C ATOM 2214 OE1 GLU B 49 -11.535 -26.146 6.883 1.00 65.59 O ATOM 2215 OE2 GLU B 49 -12.089 -28.127 7.677 1.00 69.00 O ATOM 2216 HA GLU B 49 -11.738 -27.179 11.699 1.00 0.00 H ATOM 2217 HB2 GLU B 49 -9.680 -28.326 10.269 1.00 0.00 H ATOM 2218 HB3 GLU B 49 -11.399 -28.380 9.812 1.00 0.00 H ATOM 2219 HG2 GLU B 49 -9.995 -25.987 8.875 1.00 0.00 H ATOM 2220 HG3 GLU B 49 -9.341 -27.512 8.233 1.00 0.00 H ATOM 2221 H GLU B 49 -10.725 -24.974 9.971 1.00 0.00 H ATOM 2222 N GLN B 50 -9.729 -27.645 13.099 1.00 50.92 N ATOM 2223 CA GLN B 50 -8.666 -27.719 14.102 1.00 49.06 C ATOM 2224 C GLN B 50 -7.314 -28.023 13.452 1.00 48.25 C ATOM 2225 O GLN B 50 -6.291 -27.481 13.869 1.00 45.81 O ATOM 2226 CB GLN B 50 -9.009 -28.741 15.191 1.00 50.67 C ATOM 2227 CG GLN B 50 -8.007 -28.834 16.365 1.00 51.39 C ATOM 2228 CD GLN B 50 -7.885 -27.545 17.190 1.00 52.22 C ATOM 2229 OE1 GLN B 50 -8.874 -26.838 17.431 1.00 53.59 O ATOM 2230 NE2 GLN B 50 -6.663 -27.241 17.634 1.00 49.15 N ATOM 2231 HA GLN B 50 -8.586 -26.743 14.580 1.00 0.00 H ATOM 2232 HB2 GLN B 50 -9.983 -28.478 15.602 1.00 0.00 H ATOM 2233 HB3 GLN B 50 -9.067 -29.723 14.722 1.00 0.00 H ATOM 2234 HG2 GLN B 50 -8.331 -29.636 17.029 1.00 0.00 H ATOM 2235 HG3 GLN B 50 -7.025 -29.075 15.958 1.00 0.00 H ATOM 2236 HE22 GLN B 50 -5.859 -27.861 17.409 1.00 0.00 H ATOM 2237 HE21 GLN B 50 -6.515 -26.384 18.204 1.00 0.00 H ATOM 2238 H GLN B 50 -10.535 -28.299 13.169 1.00 0.00 H ATOM 2239 N GLU B 51 -7.316 -28.873 12.426 1.00 50.15 N ATOM 2240 CA GLU B 51 -6.081 -29.169 11.704 1.00 50.39 C ATOM 2241 C GLU B 51 -5.437 -27.961 10.990 1.00 48.03 C ATOM 2242 O GLU B 51 -4.218 -27.926 10.823 1.00 47.42 O ATOM 2243 CB GLU B 51 -6.264 -30.356 10.746 1.00 53.62 C ATOM 2244 CG GLU B 51 -6.786 -30.016 9.358 1.00 58.08 C ATOM 2245 CD GLU B 51 -6.692 -31.198 8.398 1.00 64.61 C ATOM 2246 OE1 GLU B 51 -7.714 -31.535 7.753 1.00 69.00 O ATOM 2247 OE2 GLU B 51 -5.598 -31.805 8.296 1.00 66.46 O ATOM 2248 HA GLU B 51 -5.365 -29.447 12.478 1.00 0.00 H ATOM 2249 HB2 GLU B 51 -5.296 -30.843 10.629 1.00 0.00 H ATOM 2250 HB3 GLU B 51 -6.966 -31.051 11.206 1.00 0.00 H ATOM 2251 HG2 GLU B 51 -7.830 -29.713 9.440 1.00 0.00 H ATOM 2252 HG3 GLU B 51 -6.200 -29.190 8.956 1.00 0.00 H ATOM 2253 H GLU B 51 -8.204 -29.330 12.137 1.00 0.00 H ATOM 2254 N VAL B 52 -6.242 -26.986 10.568 1.00 46.80 N ATOM 2255 CA VAL B 52 -5.702 -25.774 9.951 1.00 44.42 C ATOM 2256 C VAL B 52 -4.976 -24.916 10.980 1.00 41.04 C ATOM 2257 O VAL B 52 -3.876 -24.433 10.701 1.00 38.53 O ATOM 2258 CB VAL B 52 -6.772 -24.955 9.163 1.00 45.21 C ATOM 2259 CG1 VAL B 52 -6.226 -23.603 8.732 1.00 43.23 C ATOM 2260 CG2 VAL B 52 -7.246 -25.747 7.954 1.00 48.84 C ATOM 2261 HA VAL B 52 -4.975 -26.100 9.207 1.00 0.00 H ATOM 2262 HB VAL B 52 -7.619 -24.775 9.825 1.00 0.00 H ATOM 2263 HG11 VAL B 52 -5.933 -23.033 9.614 1.00 0.00 H ATOM 2264 HG12 VAL B 52 -5.359 -23.751 8.088 1.00 0.00 H ATOM 2265 HG13 VAL B 52 -6.997 -23.059 8.186 1.00 0.00 H ATOM 2266 HG21 VAL B 52 -6.398 -25.953 7.301 1.00 0.00 H ATOM 2267 HG22 VAL B 52 -7.686 -26.687 8.287 1.00 0.00 H ATOM 2268 HG23 VAL B 52 -7.992 -25.167 7.411 1.00 0.00 H ATOM 2269 H VAL B 52 -7.271 -27.088 10.679 1.00 0.00 H ATOM 2270 N VAL B 53 -5.577 -24.733 12.159 1.00 39.44 N ATOM 2271 CA VAL B 53 -4.873 -24.044 13.228 1.00 37.48 C ATOM 2272 C VAL B 53 -3.693 -24.858 13.763 1.00 36.94 C ATOM 2273 O VAL B 53 -2.681 -24.277 14.096 1.00 35.64 O ATOM 2274 CB VAL B 53 -5.778 -23.444 14.358 1.00 36.80 C ATOM 2275 CG1 VAL B 53 -6.320 -24.511 15.305 1.00 38.35 C ATOM 2276 CG2 VAL B 53 -5.026 -22.339 15.114 1.00 36.25 C ATOM 2277 HA VAL B 53 -4.459 -23.156 12.750 1.00 0.00 H ATOM 2278 HB VAL B 53 -6.650 -23.000 13.878 1.00 0.00 H ATOM 2279 HG11 VAL B 53 -6.919 -25.226 14.740 1.00 0.00 H ATOM 2280 HG12 VAL B 53 -5.488 -25.029 15.782 1.00 0.00 H ATOM 2281 HG13 VAL B 53 -6.940 -24.038 16.067 1.00 0.00 H ATOM 2282 HG21 VAL B 53 -4.125 -22.757 15.563 1.00 0.00 H ATOM 2283 HG22 VAL B 53 -4.752 -21.546 14.418 1.00 0.00 H ATOM 2284 HG23 VAL B 53 -5.669 -21.933 15.895 1.00 0.00 H ATOM 2285 H VAL B 53 -6.545 -25.082 12.311 1.00 0.00 H ATOM 2286 N ASP B 54 -3.798 -26.185 13.793 1.00 38.89 N ATOM 2287 CA ASP B 54 -2.652 -27.002 14.214 1.00 39.07 C ATOM 2288 C ASP B 54 -1.447 -26.727 13.319 1.00 38.46 C ATOM 2289 O ASP B 54 -0.320 -26.626 13.805 1.00 37.69 O ATOM 2290 CB ASP B 54 -2.981 -28.491 14.201 1.00 41.78 C ATOM 2291 CG ASP B 54 -3.965 -28.898 15.282 1.00 43.59 C ATOM 2292 OD1 ASP B 54 -4.156 -28.146 16.270 1.00 44.81 O ATOM 2293 OD2 ASP B 54 -4.550 -29.987 15.129 1.00 46.74 O ATOM 2294 HA ASP B 54 -2.412 -26.723 15.240 1.00 0.00 H ATOM 2295 HB2 ASP B 54 -3.409 -28.743 13.231 1.00 0.00 H ATOM 2296 HB3 ASP B 54 -2.057 -29.051 14.345 1.00 0.00 H ATOM 2297 H ASP B 54 -4.691 -26.643 13.519 1.00 0.00 H ATOM 2298 N LYS B 55 -1.695 -26.593 12.019 1.00 38.79 N ATOM 2299 CA LYS B 55 -0.625 -26.393 11.032 1.00 39.40 C ATOM 2300 C LYS B 55 -0.019 -24.995 11.160 1.00 36.53 C ATOM 2301 O LYS B 55 1.204 -24.812 11.037 1.00 35.72 O ATOM 2302 CB LYS B 55 -1.167 -26.660 9.617 1.00 41.04 C ATOM 2303 CG LYS B 55 -0.362 -26.059 8.455 1.00 45.22 C ATOM 2304 CD LYS B 55 -1.242 -25.913 7.194 1.00 51.25 C ATOM 2305 CE LYS B 55 -0.984 -26.993 6.165 1.00 56.30 C ATOM 2306 NZ LYS B 55 0.163 -26.594 5.295 1.00 59.01 N ATOM 2307 HA LYS B 55 0.179 -27.103 11.225 1.00 0.00 H ATOM 2308 HB2 LYS B 55 -1.203 -27.740 9.473 1.00 0.00 H ATOM 2309 HB3 LYS B 55 -2.177 -26.254 9.566 1.00 0.00 H ATOM 2310 HG2 LYS B 55 0.009 -25.077 8.748 1.00 0.00 H ATOM 2311 HG3 LYS B 55 0.481 -26.712 8.229 1.00 0.00 H ATOM 2312 HD2 LYS B 55 -2.289 -25.961 7.493 1.00 0.00 H ATOM 2313 HD3 LYS B 55 -1.039 -24.944 6.739 1.00 0.00 H ATOM 2314 HE2 LYS B 55 -1.874 -27.130 5.551 1.00 0.00 H ATOM 2315 HE3 LYS B 55 -0.747 -27.928 6.672 1.00 0.00 H ATOM 2316 HZ1 LYS B 55 -0.065 -25.702 4.811 1.00 0.00 H ATOM 2317 HZ2 LYS B 55 1.012 -26.465 5.881 1.00 0.00 H ATOM 2318 HZ3 LYS B 55 0.337 -27.338 4.590 1.00 0.00 H ATOM 2319 H LYS B 55 -2.681 -26.631 11.690 1.00 0.00 H ATOM 2320 N VAL B 56 -0.862 -23.996 11.418 1.00 34.12 N ATOM 2321 CA VAL B 56 -0.348 -22.657 11.603 1.00 31.58 C ATOM 2322 C VAL B 56 0.498 -22.619 12.851 1.00 29.89 C ATOM 2323 O VAL B 56 1.619 -22.131 12.802 1.00 29.51 O ATOM 2324 CB VAL B 56 -1.444 -21.578 11.643 1.00 31.79 C ATOM 2325 CG1 VAL B 56 -0.794 -20.214 11.791 1.00 31.01 C ATOM 2326 CG2 VAL B 56 -2.215 -21.648 10.334 1.00 34.38 C ATOM 2327 HA VAL B 56 0.261 -22.417 10.731 1.00 0.00 H ATOM 2328 HB VAL B 56 -2.119 -21.739 12.484 1.00 0.00 H ATOM 2329 HG11 VAL B 56 -0.217 -20.186 12.716 1.00 0.00 H ATOM 2330 HG12 VAL B 56 -0.133 -20.034 10.943 1.00 0.00 H ATOM 2331 HG13 VAL B 56 -1.567 -19.446 11.820 1.00 0.00 H ATOM 2332 HG21 VAL B 56 -1.534 -21.465 9.503 1.00 0.00 H ATOM 2333 HG22 VAL B 56 -2.661 -22.637 10.229 1.00 0.00 H ATOM 2334 HG23 VAL B 56 -3.000 -20.892 10.335 1.00 0.00 H ATOM 2335 H VAL B 56 -1.884 -24.178 11.486 1.00 0.00 H ATOM 2336 N MET B 57 0.005 -23.188 13.950 1.00 29.09 N ATOM 2337 CA MET B 57 0.811 -23.235 15.164 1.00 28.94 C ATOM 2338 C MET B 57 2.118 -23.995 14.963 1.00 29.27 C ATOM 2339 O MET B 57 3.154 -23.589 15.471 1.00 29.56 O ATOM 2340 CB MET B 57 0.016 -23.800 16.356 1.00 29.20 C ATOM 2341 CG MET B 57 0.754 -23.651 17.709 1.00 29.44 C ATOM 2342 SD MET B 57 1.084 -21.944 18.239 1.00 28.96 S ATOM 2343 CE MET B 57 -0.505 -21.539 18.989 1.00 29.55 C ATOM 2344 HA MET B 57 1.074 -22.204 15.400 1.00 0.00 H ATOM 2345 HB2 MET B 57 -0.935 -23.271 16.420 1.00 0.00 H ATOM 2346 HB3 MET B 57 -0.170 -24.859 16.178 1.00 0.00 H ATOM 2347 HG2 MET B 57 1.710 -24.168 17.629 1.00 0.00 H ATOM 2348 HG3 MET B 57 0.147 -24.130 18.477 1.00 0.00 H ATOM 2349 HE1 MET B 57 -1.292 -21.627 18.240 1.00 0.00 H ATOM 2350 HE2 MET B 57 -0.704 -22.228 19.810 1.00 0.00 H ATOM 2351 HE3 MET B 57 -0.476 -20.518 19.369 1.00 0.00 H ATOM 2352 H MET B 57 -0.951 -23.597 13.942 1.00 0.00 H ATOM 2353 N GLU B 58 2.081 -25.108 14.237 1.00 31.20 N ATOM 2354 CA GLU B 58 3.302 -25.883 13.989 1.00 31.22 C ATOM 2355 C GLU B 58 4.341 -24.992 13.313 1.00 30.65 C ATOM 2356 O GLU B 58 5.519 -25.064 13.640 1.00 30.36 O ATOM 2357 CB GLU B 58 3.015 -27.142 13.150 1.00 33.08 C ATOM 2358 CG GLU B 58 4.184 -28.163 13.064 1.00 35.59 C ATOM 2359 CD GLU B 58 5.269 -27.850 12.010 1.00 37.73 C ATOM 2360 OE1 GLU B 58 5.048 -27.063 11.064 1.00 36.14 O ATOM 2361 OE2 GLU B 58 6.362 -28.436 12.115 1.00 37.86 O ATOM 2362 HA GLU B 58 3.697 -26.227 14.945 1.00 0.00 H ATOM 2363 HB2 GLU B 58 2.155 -27.650 13.587 1.00 0.00 H ATOM 2364 HB3 GLU B 58 2.770 -26.823 12.137 1.00 0.00 H ATOM 2365 HG2 GLU B 58 4.667 -28.203 14.040 1.00 0.00 H ATOM 2366 HG3 GLU B 58 3.760 -29.139 12.829 1.00 0.00 H ATOM 2367 H GLU B 58 1.176 -25.433 13.840 1.00 0.00 H ATOM 2368 N THR B 59 3.911 -24.177 12.351 1.00 29.90 N ATOM 2369 CA THR B 59 4.826 -23.279 11.653 1.00 30.87 C ATOM 2370 C THR B 59 5.394 -22.232 12.623 1.00 28.89 C ATOM 2371 O THR B 59 6.604 -21.983 12.633 1.00 29.09 O ATOM 2372 CB THR B 59 4.149 -22.630 10.409 1.00 31.04 C ATOM 2373 OG1 THR B 59 3.814 -23.646 9.462 1.00 34.91 O ATOM 2374 CG2 THR B 59 5.074 -21.631 9.727 1.00 32.53 C ATOM 2375 HA THR B 59 5.664 -23.865 11.276 1.00 0.00 H ATOM 2376 HB THR B 59 3.256 -22.109 10.754 1.00 0.00 H ATOM 2377 HG1 THR B 59 4.638 -24.118 9.181 1.00 0.00 H ATOM 2378 HG23 THR B 59 5.343 -20.846 10.433 1.00 0.00 H ATOM 2379 HG21 THR B 59 5.976 -22.143 9.391 1.00 0.00 H ATOM 2380 HG22 THR B 59 4.564 -21.192 8.870 1.00 0.00 H ATOM 2381 H THR B 59 2.904 -24.181 12.092 1.00 0.00 H ATOM 2382 N LEU B 60 4.526 -21.676 13.460 1.00 29.29 N ATOM 2383 CA LEU B 60 4.879 -20.550 14.315 1.00 29.22 C ATOM 2384 C LEU B 60 5.655 -20.921 15.570 1.00 29.99 C ATOM 2385 O LEU B 60 6.439 -20.103 16.078 1.00 29.28 O ATOM 2386 CB LEU B 60 3.634 -19.771 14.729 1.00 28.35 C ATOM 2387 CG LEU B 60 2.840 -19.083 13.640 1.00 30.32 C ATOM 2388 CD1 LEU B 60 1.843 -18.179 14.350 1.00 28.70 C ATOM 2389 CD2 LEU B 60 3.784 -18.268 12.727 1.00 34.27 C ATOM 2390 HA LEU B 60 5.540 -19.939 13.700 1.00 0.00 H ATOM 2391 HB2 LEU B 60 2.964 -20.470 15.229 1.00 0.00 H ATOM 2392 HB3 LEU B 60 3.950 -19.004 15.436 1.00 0.00 H ATOM 2393 HG LEU B 60 2.324 -19.799 13.000 1.00 0.00 H ATOM 2394 HD21 LEU B 60 4.302 -17.516 13.322 1.00 0.00 H ATOM 2395 HD22 LEU B 60 4.513 -18.937 12.270 1.00 0.00 H ATOM 2396 HD23 LEU B 60 3.200 -17.778 11.948 1.00 0.00 H ATOM 2397 HD11 LEU B 60 1.196 -18.783 14.986 1.00 0.00 H ATOM 2398 HD12 LEU B 60 2.382 -17.455 14.961 1.00 0.00 H ATOM 2399 HD13 LEU B 60 1.239 -17.654 13.610 1.00 0.00 H ATOM 2400 H LEU B 60 3.560 -22.058 13.507 1.00 0.00 H ATOM 2401 N ASP B 61 5.450 -22.142 16.065 1.00 30.34 N ATOM 2402 CA ASP B 61 5.948 -22.491 17.394 1.00 30.79 C ATOM 2403 C ASP B 61 7.398 -22.991 17.372 1.00 31.42 C ATOM 2404 O ASP B 61 7.633 -24.172 17.242 1.00 34.05 O ATOM 2405 CB ASP B 61 4.992 -23.497 18.055 1.00 30.93 C ATOM 2406 CG ASP B 61 5.477 -23.974 19.396 1.00 30.94 C ATOM 2407 OD1 ASP B 61 6.189 -23.193 20.070 1.00 29.41 O ATOM 2408 OD2 ASP B 61 5.157 -25.134 19.761 1.00 30.90 O ATOM 2409 HA ASP B 61 5.969 -21.584 17.998 1.00 0.00 H ATOM 2410 HB2 ASP B 61 4.021 -23.019 18.186 1.00 0.00 H ATOM 2411 HB3 ASP B 61 4.885 -24.359 17.397 1.00 0.00 H ATOM 2412 H ASP B 61 4.934 -22.849 15.503 1.00 0.00 H ATOM 2413 N SER B 62 8.372 -22.099 17.514 1.00 30.64 N ATOM 2414 CA SER B 62 9.771 -22.489 17.343 1.00 31.81 C ATOM 2415 C SER B 62 10.401 -23.110 18.585 1.00 32.72 C ATOM 2416 O SER B 62 11.490 -23.637 18.514 1.00 34.64 O ATOM 2417 CB SER B 62 10.615 -21.309 16.871 1.00 32.01 C ATOM 2418 OG SER B 62 10.075 -20.773 15.679 1.00 33.82 O ATOM 2419 HA SER B 62 9.759 -23.266 16.579 1.00 0.00 H ATOM 2420 HB2 SER B 62 11.635 -21.646 16.686 1.00 0.00 H ATOM 2421 HB3 SER B 62 10.622 -20.539 17.642 1.00 0.00 H ATOM 2422 HG SER B 62 10.629 -20.009 15.381 1.00 0.00 H ATOM 2423 H SER B 62 8.137 -21.113 17.749 1.00 0.00 H ATOM 2424 N ASP B 63 9.738 -23.015 19.738 1.00 32.18 N ATOM 2425 CA ASP B 63 10.327 -23.607 20.943 1.00 33.79 C ATOM 2426 C ASP B 63 9.555 -24.797 21.473 1.00 34.83 C ATOM 2427 O ASP B 63 9.849 -25.300 22.548 1.00 37.59 O ATOM 2428 CB ASP B 63 10.607 -22.554 22.037 1.00 32.68 C ATOM 2429 CG ASP B 63 9.342 -21.915 22.585 1.00 33.73 C ATOM 2430 OD1 ASP B 63 8.253 -22.294 22.144 1.00 31.38 O ATOM 2431 OD2 ASP B 63 9.460 -21.000 23.434 1.00 36.91 O ATOM 2432 HA ASP B 63 11.293 -24.004 20.630 1.00 0.00 H ATOM 2433 HB2 ASP B 63 11.136 -23.038 22.858 1.00 0.00 H ATOM 2434 HB3 ASP B 63 11.236 -21.771 21.613 1.00 0.00 H ATOM 2435 H ASP B 63 8.819 -22.530 19.782 1.00 0.00 H ATOM 2436 N GLY B 64 8.563 -25.241 20.704 1.00 34.52 N ATOM 2437 CA GLY B 64 7.907 -26.504 20.951 1.00 34.98 C ATOM 2438 C GLY B 64 6.975 -26.580 22.150 1.00 34.86 C ATOM 2439 O GLY B 64 6.666 -27.694 22.615 1.00 36.22 O ATOM 2440 HA3 GLY B 64 8.684 -27.256 21.091 1.00 0.00 H ATOM 2441 HA2 GLY B 64 7.322 -26.749 20.064 1.00 0.00 H ATOM 2442 H GLY B 64 8.251 -24.660 19.900 1.00 0.00 H ATOM 2443 N ASP B 65 6.521 -25.427 22.652 1.00 33.07 N ATOM 2444 CA ASP B 65 5.603 -25.424 23.815 1.00 33.51 C ATOM 2445 C ASP B 65 4.122 -25.434 23.447 1.00 32.53 C ATOM 2446 O ASP B 65 3.231 -25.422 24.325 1.00 33.66 O ATOM 2447 CB ASP B 65 5.940 -24.283 24.793 1.00 32.40 C ATOM 2448 CG ASP B 65 5.580 -22.923 24.266 1.00 32.31 C ATOM 2449 OD1 ASP B 65 5.213 -22.794 23.081 1.00 32.02 O ATOM 2450 OD2 ASP B 65 5.679 -21.945 25.045 1.00 34.62 O ATOM 2451 HA ASP B 65 5.774 -26.374 24.322 1.00 0.00 H ATOM 2452 HB2 ASP B 65 5.394 -24.450 25.722 1.00 0.00 H ATOM 2453 HB3 ASP B 65 7.011 -24.304 24.994 1.00 0.00 H ATOM 2454 H ASP B 65 6.814 -24.526 22.223 1.00 0.00 H ATOM 2455 N GLY B 66 3.855 -25.467 22.154 1.00 31.82 N ATOM 2456 CA GLY B 66 2.495 -25.549 21.655 1.00 31.71 C ATOM 2457 C GLY B 66 1.764 -24.215 21.593 1.00 30.54 C ATOM 2458 O GLY B 66 0.589 -24.168 21.196 1.00 30.31 O ATOM 2459 HA3 GLY B 66 1.932 -26.216 22.308 1.00 0.00 H ATOM 2460 HA2 GLY B 66 2.526 -25.968 20.649 1.00 0.00 H ATOM 2461 H GLY B 66 4.642 -25.433 21.474 1.00 0.00 H ATOM 2462 N GLU B 67 2.454 -23.147 21.978 1.00 28.97 N ATOM 2463 CA GLU B 67 1.870 -21.811 21.980 1.00 27.90 C ATOM 2464 C GLU B 67 2.751 -20.826 21.235 1.00 27.21 C ATOM 2465 O GLU B 67 3.920 -21.111 20.933 1.00 28.29 O ATOM 2466 CB GLU B 67 1.655 -21.328 23.407 1.00 27.68 C ATOM 2467 CG GLU B 67 0.821 -22.282 24.254 1.00 28.96 C ATOM 2468 CD GLU B 67 0.099 -21.608 25.380 1.00 29.01 C ATOM 2469 OE1 GLU B 67 -0.129 -20.402 25.301 1.00 29.81 O ATOM 2470 OE2 GLU B 67 -0.277 -22.315 26.349 1.00 31.62 O ATOM 2471 HA GLU B 67 0.908 -21.869 21.470 1.00 0.00 H ATOM 2472 HB2 GLU B 67 2.629 -21.207 23.881 1.00 0.00 H ATOM 2473 HB3 GLU B 67 1.148 -20.364 23.372 1.00 0.00 H ATOM 2474 HG2 GLU B 67 0.084 -22.761 23.609 1.00 0.00 H ATOM 2475 HG3 GLU B 67 1.483 -23.040 24.673 1.00 0.00 H ATOM 2476 H GLU B 67 3.440 -23.267 22.287 1.00 0.00 H ATOM 2477 N CYS B 68 2.182 -19.666 20.929 1.00 25.98 N ATOM 2478 CA CYS B 68 2.919 -18.650 20.187 1.00 25.06 C ATOM 2479 C CYS B 68 3.202 -17.480 21.115 1.00 24.31 C ATOM 2480 O CYS B 68 2.267 -16.780 21.535 1.00 25.28 O ATOM 2481 CB CYS B 68 2.109 -18.238 18.967 1.00 25.35 C ATOM 2482 SG CYS B 68 2.824 -16.851 18.016 1.00 25.58 S ATOM 2483 HA CYS B 68 3.874 -19.036 19.831 1.00 0.00 H ATOM 2484 HB2 CYS B 68 1.114 -17.945 19.302 1.00 0.00 H ATOM 2485 HB3 CYS B 68 2.029 -19.100 18.304 1.00 0.00 H ATOM 2486 HG CYS B 68 2.921 -15.740 18.829 1.00 0.00 H ATOM 2487 H CYS B 68 1.201 -19.480 21.221 1.00 0.00 H ATOM 2488 N ASP B 69 4.481 -17.290 21.473 1.00 24.73 N ATOM 2489 CA ASP B 69 4.872 -16.177 22.348 1.00 23.91 C ATOM 2490 C ASP B 69 5.065 -14.893 21.540 1.00 23.78 C ATOM 2491 O ASP B 69 4.745 -14.859 20.354 1.00 23.12 O ATOM 2492 CB ASP B 69 6.070 -16.549 23.239 1.00 26.49 C ATOM 2493 CG ASP B 69 7.357 -16.780 22.457 1.00 27.64 C ATOM 2494 OD1 ASP B 69 7.479 -16.326 21.294 1.00 27.44 O ATOM 2495 OD2 ASP B 69 8.288 -17.377 23.054 1.00 32.49 O ATOM 2496 HA ASP B 69 4.058 -15.973 23.043 1.00 0.00 H ATOM 2497 HB2 ASP B 69 6.237 -15.739 23.949 1.00 0.00 H ATOM 2498 HB3 ASP B 69 5.827 -17.462 23.782 1.00 0.00 H ATOM 2499 H ASP B 69 5.210 -17.944 21.124 1.00 0.00 H ATOM 2500 N PHE B 70 5.543 -13.830 22.188 1.00 23.35 N ATOM 2501 CA PHE B 70 5.602 -12.561 21.486 1.00 23.52 C ATOM 2502 C PHE B 70 6.610 -12.585 20.322 1.00 23.67 C ATOM 2503 O PHE B 70 6.309 -12.095 19.231 1.00 23.81 O ATOM 2504 CB PHE B 70 5.913 -11.414 22.426 1.00 23.17 C ATOM 2505 CG PHE B 70 5.730 -10.079 21.769 1.00 25.11 C ATOM 2506 CD1 PHE B 70 4.456 -9.534 21.599 1.00 28.12 C ATOM 2507 CD2 PHE B 70 6.819 -9.381 21.290 1.00 26.98 C ATOM 2508 CE1 PHE B 70 4.278 -8.299 20.971 1.00 29.74 C ATOM 2509 CE2 PHE B 70 6.632 -8.132 20.654 1.00 27.81 C ATOM 2510 CZ PHE B 70 5.373 -7.613 20.494 1.00 30.88 C ATOM 2511 HA PHE B 70 4.610 -12.400 21.064 1.00 0.00 H ATOM 2512 HB2 PHE B 70 5.248 -11.476 23.288 1.00 0.00 H ATOM 2513 HB3 PHE B 70 6.947 -11.503 22.759 1.00 0.00 H ATOM 2514 HD2 PHE B 70 7.822 -9.792 21.402 1.00 0.00 H ATOM 2515 HE2 PHE B 70 7.496 -7.577 20.288 1.00 0.00 H ATOM 2516 HZ PHE B 70 5.239 -6.657 19.989 1.00 0.00 H ATOM 2517 HE1 PHE B 70 3.278 -7.880 20.859 1.00 0.00 H ATOM 2518 HD1 PHE B 70 3.586 -10.081 21.962 1.00 0.00 H ATOM 2519 H PHE B 70 5.866 -13.908 23.173 1.00 0.00 H ATOM 2520 N GLN B 71 7.757 -13.208 20.544 1.00 25.05 N ATOM 2521 CA GLN B 71 8.794 -13.283 19.481 1.00 26.09 C ATOM 2522 C GLN B 71 8.236 -14.099 18.308 1.00 25.31 C ATOM 2523 O GLN B 71 8.447 -13.752 17.125 1.00 24.27 O ATOM 2524 CB GLN B 71 10.061 -13.912 20.050 1.00 28.31 C ATOM 2525 CG GLN B 71 11.197 -14.195 19.069 1.00 33.67 C ATOM 2526 CD GLN B 71 12.370 -14.966 19.709 1.00 41.45 C ATOM 2527 OE1 GLN B 71 12.223 -15.659 20.731 1.00 44.87 O ATOM 2528 NE2 GLN B 71 13.546 -14.861 19.083 1.00 46.99 N ATOM 2529 HA GLN B 71 9.050 -12.287 19.121 1.00 0.00 H ATOM 2530 HB2 GLN B 71 10.447 -13.239 20.815 1.00 0.00 H ATOM 2531 HB3 GLN B 71 9.780 -14.859 20.510 1.00 0.00 H ATOM 2532 HG2 GLN B 71 10.803 -14.786 18.242 1.00 0.00 H ATOM 2533 HG3 GLN B 71 11.572 -13.245 18.689 1.00 0.00 H ATOM 2534 HE22 GLN B 71 13.630 -14.272 18.230 1.00 0.00 H ATOM 2535 HE21 GLN B 71 14.377 -15.369 19.448 1.00 0.00 H ATOM 2536 H GLN B 71 7.934 -13.648 21.469 1.00 0.00 H ATOM 2537 N GLU B 72 7.545 -15.193 18.630 1.00 23.30 N ATOM 2538 CA GLU B 72 6.943 -16.038 17.577 1.00 23.60 C ATOM 2539 C GLU B 72 5.844 -15.294 16.832 1.00 22.21 C ATOM 2540 O GLU B 72 5.670 -15.445 15.609 1.00 23.07 O ATOM 2541 CB GLU B 72 6.478 -17.389 18.149 1.00 24.12 C ATOM 2542 CG GLU B 72 7.643 -18.209 18.700 1.00 24.93 C ATOM 2543 CD GLU B 72 7.190 -19.326 19.605 1.00 25.44 C ATOM 2544 OE1 GLU B 72 6.087 -19.222 20.201 1.00 25.02 O ATOM 2545 OE2 GLU B 72 7.936 -20.321 19.733 1.00 28.01 O ATOM 2546 HA GLU B 72 7.711 -16.265 16.837 1.00 0.00 H ATOM 2547 HB2 GLU B 72 5.766 -17.205 18.953 1.00 0.00 H ATOM 2548 HB3 GLU B 72 5.991 -17.958 17.357 1.00 0.00 H ATOM 2549 HG2 GLU B 72 8.194 -18.639 17.863 1.00 0.00 H ATOM 2550 HG3 GLU B 72 8.300 -17.547 19.264 1.00 0.00 H ATOM 2551 H GLU B 72 7.429 -15.454 19.630 1.00 0.00 H ATOM 2552 N PHE B 73 5.129 -14.427 17.547 1.00 21.82 N ATOM 2553 CA PHE B 73 4.125 -13.596 16.910 1.00 22.44 C ATOM 2554 C PHE B 73 4.772 -12.566 15.984 1.00 22.57 C ATOM 2555 O PHE B 73 4.245 -12.318 14.912 1.00 21.85 O ATOM 2556 CB PHE B 73 3.254 -12.897 17.959 1.00 22.93 C ATOM 2557 CG PHE B 73 2.166 -12.042 17.359 1.00 22.17 C ATOM 2558 CD1 PHE B 73 1.129 -12.628 16.644 1.00 24.28 C ATOM 2559 CD2 PHE B 73 2.193 -10.646 17.502 1.00 25.14 C ATOM 2560 CE1 PHE B 73 0.104 -11.858 16.059 1.00 24.42 C ATOM 2561 CE2 PHE B 73 1.164 -9.858 16.937 1.00 24.97 C ATOM 2562 CZ PHE B 73 0.124 -10.456 16.229 1.00 25.22 C ATOM 2563 HA PHE B 73 3.489 -14.244 16.307 1.00 0.00 H ATOM 2564 HB2 PHE B 73 2.790 -13.658 18.586 1.00 0.00 H ATOM 2565 HB3 PHE B 73 3.894 -12.263 18.573 1.00 0.00 H ATOM 2566 HD2 PHE B 73 3.007 -10.170 18.048 1.00 0.00 H ATOM 2567 HE2 PHE B 73 1.185 -8.775 17.056 1.00 0.00 H ATOM 2568 HZ PHE B 73 -0.673 -9.843 15.807 1.00 0.00 H ATOM 2569 HE1 PHE B 73 -0.690 -12.336 15.485 1.00 0.00 H ATOM 2570 HD1 PHE B 73 1.108 -13.712 16.533 1.00 0.00 H ATOM 2571 H PHE B 73 5.292 -14.345 18.571 1.00 0.00 H ATOM 2572 N MET B 74 5.886 -11.987 16.397 1.00 22.73 N ATOM 2573 CA MET B 74 6.680 -11.065 15.543 1.00 22.77 C ATOM 2574 C MET B 74 7.010 -11.750 14.226 1.00 23.54 C ATOM 2575 O MET B 74 6.952 -11.141 13.155 1.00 24.15 O ATOM 2576 CB MET B 74 7.990 -10.652 16.230 1.00 23.70 C ATOM 2577 CG MET B 74 7.854 -9.604 17.351 1.00 23.49 C ATOM 2578 SD MET B 74 7.012 -8.067 16.878 1.00 23.21 S ATOM 2579 CE MET B 74 5.286 -8.506 17.110 1.00 25.34 C ATOM 2580 HA MET B 74 6.082 -10.170 15.369 1.00 0.00 H ATOM 2581 HB2 MET B 74 8.440 -11.547 16.660 1.00 0.00 H ATOM 2582 HB3 MET B 74 8.654 -10.244 15.468 1.00 0.00 H ATOM 2583 HG2 MET B 74 8.856 -9.347 17.696 1.00 0.00 H ATOM 2584 HG3 MET B 74 7.294 -10.057 18.170 1.00 0.00 H ATOM 2585 HE1 MET B 74 5.037 -9.348 16.464 1.00 0.00 H ATOM 2586 HE2 MET B 74 5.120 -8.783 18.151 1.00 0.00 H ATOM 2587 HE3 MET B 74 4.658 -7.652 16.855 1.00 0.00 H ATOM 2588 H MET B 74 6.222 -12.185 17.361 1.00 0.00 H ATOM 2589 N ALA B 75 7.401 -13.020 14.314 1.00 22.63 N ATOM 2590 CA ALA B 75 7.750 -13.779 13.097 1.00 23.64 C ATOM 2591 C ALA B 75 6.513 -13.975 12.225 1.00 23.33 C ATOM 2592 O ALA B 75 6.582 -13.850 10.999 1.00 24.43 O ATOM 2593 CB ALA B 75 8.372 -15.084 13.429 1.00 25.40 C ATOM 2594 HA ALA B 75 8.485 -13.200 12.538 1.00 0.00 H ATOM 2595 HB1 ALA B 75 9.283 -14.915 14.004 1.00 0.00 H ATOM 2596 HB2 ALA B 75 7.674 -15.678 14.018 1.00 0.00 H ATOM 2597 HB3 ALA B 75 8.615 -15.614 12.508 1.00 0.00 H ATOM 2598 H ALA B 75 7.461 -13.479 15.245 1.00 0.00 H ATOM 2599 N PHE B 76 5.373 -14.267 12.840 1.00 22.14 N ATOM 2600 CA PHE B 76 4.103 -14.329 12.095 1.00 22.16 C ATOM 2601 C PHE B 76 3.809 -13.028 11.385 1.00 22.59 C ATOM 2602 O PHE B 76 3.477 -13.012 10.191 1.00 23.80 O ATOM 2603 CB PHE B 76 2.991 -14.669 13.080 1.00 23.41 C ATOM 2604 CG PHE B 76 1.656 -14.916 12.454 1.00 24.98 C ATOM 2605 CD1 PHE B 76 1.532 -15.694 11.321 1.00 26.79 C ATOM 2606 CD2 PHE B 76 0.506 -14.440 13.064 1.00 29.36 C ATOM 2607 CE1 PHE B 76 0.275 -15.945 10.767 1.00 30.15 C ATOM 2608 CE2 PHE B 76 -0.760 -14.726 12.523 1.00 29.60 C ATOM 2609 CZ PHE B 76 -0.868 -15.471 11.389 1.00 29.74 C ATOM 2610 HA PHE B 76 4.174 -15.097 11.325 1.00 0.00 H ATOM 2611 HB2 PHE B 76 3.282 -15.567 13.625 1.00 0.00 H ATOM 2612 HB3 PHE B 76 2.890 -13.838 13.779 1.00 0.00 H ATOM 2613 HD2 PHE B 76 0.584 -13.839 13.970 1.00 0.00 H ATOM 2614 HE2 PHE B 76 -1.658 -14.350 13.013 1.00 0.00 H ATOM 2615 HZ PHE B 76 -1.850 -15.694 10.972 1.00 0.00 H ATOM 2616 HE1 PHE B 76 0.193 -16.516 9.842 1.00 0.00 H ATOM 2617 HD1 PHE B 76 2.422 -16.116 10.855 1.00 0.00 H ATOM 2618 H PHE B 76 5.376 -14.455 13.863 1.00 0.00 H ATOM 2619 N VAL B 77 3.916 -11.928 12.127 1.00 21.32 N ATOM 2620 CA VAL B 77 3.696 -10.605 11.515 1.00 21.77 C ATOM 2621 C VAL B 77 4.631 -10.367 10.334 1.00 22.55 C ATOM 2622 O VAL B 77 4.202 -9.873 9.289 1.00 22.94 O ATOM 2623 CB VAL B 77 3.810 -9.485 12.535 1.00 22.75 C ATOM 2624 CG1 VAL B 77 3.812 -8.135 11.847 1.00 24.07 C ATOM 2625 CG2 VAL B 77 2.611 -9.547 13.504 1.00 22.85 C ATOM 2626 HA VAL B 77 2.675 -10.600 11.134 1.00 0.00 H ATOM 2627 HB VAL B 77 4.745 -9.610 13.082 1.00 0.00 H ATOM 2628 HG11 VAL B 77 4.659 -8.078 11.163 1.00 0.00 H ATOM 2629 HG12 VAL B 77 2.884 -8.012 11.289 1.00 0.00 H ATOM 2630 HG13 VAL B 77 3.894 -7.347 12.596 1.00 0.00 H ATOM 2631 HG21 VAL B 77 1.684 -9.434 12.941 1.00 0.00 H ATOM 2632 HG22 VAL B 77 2.610 -10.508 14.018 1.00 0.00 H ATOM 2633 HG23 VAL B 77 2.694 -8.743 14.235 1.00 0.00 H ATOM 2634 H VAL B 77 4.154 -12.002 13.137 1.00 0.00 H ATOM 2635 N ALA B 78 5.898 -10.741 10.466 1.00 23.11 N ATOM 2636 CA ALA B 78 6.834 -10.635 9.322 1.00 23.08 C ATOM 2637 C ALA B 78 6.385 -11.458 8.114 1.00 24.21 C ATOM 2638 O ALA B 78 6.458 -10.979 6.975 1.00 25.04 O ATOM 2639 CB ALA B 78 8.244 -11.044 9.733 1.00 24.52 C ATOM 2640 HA ALA B 78 6.834 -9.587 9.022 1.00 0.00 H ATOM 2641 HB1 ALA B 78 8.592 -10.390 10.533 1.00 0.00 H ATOM 2642 HB2 ALA B 78 8.234 -12.076 10.084 1.00 0.00 H ATOM 2643 HB3 ALA B 78 8.911 -10.957 8.875 1.00 0.00 H ATOM 2644 H ALA B 78 6.236 -11.111 11.378 1.00 0.00 H ATOM 2645 N MET B 79 5.890 -12.675 8.354 1.00 24.36 N ATOM 2646 CA MET B 79 5.383 -13.556 7.269 1.00 27.29 C ATOM 2647 C MET B 79 4.191 -12.910 6.552 1.00 26.64 C ATOM 2648 O MET B 79 4.116 -12.931 5.312 1.00 26.93 O ATOM 2649 CB MET B 79 4.938 -14.930 7.818 1.00 27.80 C ATOM 2650 CG MET B 79 6.041 -15.890 8.269 1.00 34.47 C ATOM 2651 SD MET B 79 5.368 -17.186 9.387 1.00 43.12 S ATOM 2652 CE MET B 79 3.881 -17.673 8.484 1.00 44.69 C ATOM 2653 HA MET B 79 6.205 -13.697 6.568 1.00 0.00 H ATOM 2654 HB2 MET B 79 4.290 -14.747 8.675 1.00 0.00 H ATOM 2655 HB3 MET B 79 4.369 -15.429 7.034 1.00 0.00 H ATOM 2656 HG2 MET B 79 6.810 -15.327 8.797 1.00 0.00 H ATOM 2657 HG3 MET B 79 6.479 -16.367 7.393 1.00 0.00 H ATOM 2658 HE1 MET B 79 3.226 -16.809 8.372 1.00 0.00 H ATOM 2659 HE2 MET B 79 4.162 -18.048 7.500 1.00 0.00 H ATOM 2660 HE3 MET B 79 3.361 -18.455 9.037 1.00 0.00 H ATOM 2661 H MET B 79 5.858 -13.019 9.335 1.00 0.00 H ATOM 2662 N ILE B 80 3.256 -12.377 7.328 1.00 25.93 N ATOM 2663 CA ILE B 80 2.046 -11.792 6.778 1.00 26.89 C ATOM 2664 C ILE B 80 2.403 -10.548 5.980 1.00 26.80 C ATOM 2665 O ILE B 80 1.931 -10.385 4.867 1.00 28.41 O ATOM 2666 CB ILE B 80 1.026 -11.430 7.852 1.00 26.90 C ATOM 2667 CG1 ILE B 80 0.507 -12.689 8.560 1.00 28.39 C ATOM 2668 CG2 ILE B 80 -0.168 -10.692 7.224 1.00 28.18 C ATOM 2669 CD1 ILE B 80 0.012 -12.421 9.940 1.00 33.02 C ATOM 2670 HA ILE B 80 1.587 -12.543 6.135 1.00 0.00 H ATOM 2671 HB ILE B 80 1.523 -10.786 8.578 1.00 0.00 H ATOM 2672 HG12 ILE B 80 -0.311 -13.106 7.972 1.00 0.00 H ATOM 2673 HG13 ILE B 80 1.318 -13.415 8.617 1.00 0.00 H ATOM 2674 HD11 ILE B 80 0.823 -12.013 10.543 1.00 0.00 H ATOM 2675 HD12 ILE B 80 -0.807 -11.703 9.898 1.00 0.00 H ATOM 2676 HD13 ILE B 80 -0.341 -13.351 10.385 1.00 0.00 H ATOM 2677 HG21 ILE B 80 0.183 -9.779 6.743 1.00 0.00 H ATOM 2678 HG22 ILE B 80 -0.642 -11.336 6.483 1.00 0.00 H ATOM 2679 HG23 ILE B 80 -0.888 -10.440 8.003 1.00 0.00 H ATOM 2680 H ILE B 80 3.394 -12.378 8.359 1.00 0.00 H ATOM 2681 N THR B 81 3.250 -9.691 6.559 1.00 24.84 N ATOM 2682 CA THR B 81 3.617 -8.426 5.914 1.00 23.84 C ATOM 2683 C THR B 81 4.368 -8.678 4.624 1.00 25.63 C ATOM 2684 O THR B 81 4.124 -7.999 3.627 1.00 26.38 O ATOM 2685 CB THR B 81 4.455 -7.545 6.861 1.00 23.34 C ATOM 2686 OG1 THR B 81 3.739 -7.372 8.086 1.00 22.85 O ATOM 2687 CG2 THR B 81 4.714 -6.161 6.259 1.00 24.31 C ATOM 2688 HA THR B 81 2.696 -7.893 5.678 1.00 0.00 H ATOM 2689 HB THR B 81 5.412 -8.040 7.026 1.00 0.00 H ATOM 2690 HG1 THR B 81 3.581 -8.256 8.502 1.00 0.00 H ATOM 2691 HG23 THR B 81 5.260 -6.270 5.322 1.00 0.00 H ATOM 2692 HG21 THR B 81 3.762 -5.664 6.070 1.00 0.00 H ATOM 2693 HG22 THR B 81 5.303 -5.567 6.957 1.00 0.00 H ATOM 2694 H THR B 81 3.657 -9.926 7.487 1.00 0.00 H ATOM 2695 N THR B 82 5.247 -9.674 4.624 1.00 25.22 N ATOM 2696 CA THR B 82 5.980 -10.051 3.405 1.00 27.67 C ATOM 2697 C THR B 82 5.009 -10.544 2.335 1.00 28.76 C ATOM 2698 O THR B 82 5.121 -10.165 1.190 1.00 30.20 O ATOM 2699 CB THR B 82 7.017 -11.129 3.714 1.00 28.70 C ATOM 2700 OG1 THR B 82 7.948 -10.589 4.664 1.00 29.14 O ATOM 2701 CG2 THR B 82 7.774 -11.544 2.455 1.00 30.77 C ATOM 2702 HA THR B 82 6.499 -9.170 3.029 1.00 0.00 H ATOM 2703 HB THR B 82 6.511 -12.009 4.111 1.00 0.00 H ATOM 2704 HG1 THR B 82 7.464 -10.332 5.489 1.00 0.00 H ATOM 2705 HG23 THR B 82 7.072 -11.955 1.729 1.00 0.00 H ATOM 2706 HG21 THR B 82 8.272 -10.673 2.028 1.00 0.00 H ATOM 2707 HG22 THR B 82 8.517 -12.299 2.712 1.00 0.00 H ATOM 2708 H THR B 82 5.421 -10.199 5.505 1.00 0.00 H ATOM 2709 N ALA B 83 4.026 -11.343 2.739 1.00 28.83 N ATOM 2710 CA ALA B 83 3.020 -11.837 1.793 1.00 30.70 C ATOM 2711 C ALA B 83 2.227 -10.707 1.144 1.00 31.17 C ATOM 2712 O ALA B 83 2.014 -10.728 -0.070 1.00 33.38 O ATOM 2713 CB ALA B 83 2.082 -12.777 2.496 1.00 31.50 C ATOM 2714 HA ALA B 83 3.550 -12.360 0.997 1.00 0.00 H ATOM 2715 HB1 ALA B 83 2.646 -13.619 2.897 1.00 0.00 H ATOM 2716 HB2 ALA B 83 1.585 -12.250 3.311 1.00 0.00 H ATOM 2717 HB3 ALA B 83 1.337 -13.141 1.789 1.00 0.00 H ATOM 2718 H ALA B 83 3.970 -11.621 3.739 1.00 0.00 H ATOM 2719 N CYS B 84 1.781 -9.759 1.961 1.00 30.32 N ATOM 2720 CA CYS B 84 1.039 -8.571 1.494 1.00 30.46 C ATOM 2721 C CYS B 84 1.909 -7.787 0.525 1.00 31.40 C ATOM 2722 O CYS B 84 1.466 -7.340 -0.524 1.00 32.59 O ATOM 2723 CB CYS B 84 0.646 -7.665 2.668 1.00 28.96 C ATOM 2724 SG CYS B 84 -0.413 -6.205 2.266 1.00 29.04 S ATOM 2725 HA CYS B 84 0.127 -8.907 1.000 1.00 0.00 H ATOM 2726 HB2 CYS B 84 1.565 -7.293 3.121 1.00 0.00 H ATOM 2727 HB3 CYS B 84 0.107 -8.276 3.392 1.00 0.00 H ATOM 2728 HG CYS B 84 -0.676 -5.497 3.421 1.00 0.00 H ATOM 2729 H CYS B 84 1.964 -9.859 2.980 1.00 0.00 H ATOM 2730 N HIS B 85 3.164 -7.599 0.922 1.00 30.26 N ATOM 2731 CA HIS B 85 4.123 -6.805 0.143 1.00 31.53 C ATOM 2732 C HIS B 85 4.331 -7.379 -1.244 1.00 35.02 C ATOM 2733 O HIS B 85 4.512 -6.647 -2.225 1.00 35.12 O ATOM 2734 CB HIS B 85 5.446 -6.727 0.940 1.00 29.22 C ATOM 2735 CG HIS B 85 6.533 -5.945 0.278 1.00 32.30 C ATOM 2736 ND1 HIS B 85 6.399 -4.622 -0.095 1.00 35.71 N ATOM 2737 CD2 HIS B 85 7.798 -6.296 -0.030 1.00 32.67 C ATOM 2738 CE1 HIS B 85 7.537 -4.197 -0.610 1.00 34.01 C ATOM 2739 NE2 HIS B 85 8.393 -5.204 -0.618 1.00 37.10 N ATOM 2740 HA HIS B 85 3.730 -5.800 -0.008 1.00 0.00 H ATOM 2741 HB2 HIS B 85 5.234 -6.264 1.904 1.00 0.00 H ATOM 2742 HB3 HIS B 85 5.807 -7.743 1.098 1.00 0.00 H ATOM 2743 HD2 HIS B 85 8.263 -7.265 0.153 1.00 0.00 H ATOM 2744 HE1 HIS B 85 7.737 -3.187 -0.968 1.00 0.00 H ATOM 2745 H HIS B 85 3.477 -8.029 1.815 1.00 0.00 H ATOM 2746 N GLU B 86 4.299 -8.702 -1.309 1.00 37.85 N ATOM 2747 CA GLU B 86 4.465 -9.426 -2.550 1.00 43.03 C ATOM 2748 C GLU B 86 3.094 -9.577 -3.208 1.00 45.91 C ATOM 2749 O GLU B 86 2.089 -9.137 -2.653 1.00 45.51 O ATOM 2750 CB GLU B 86 5.147 -10.758 -2.268 1.00 43.52 C ATOM 2751 CG GLU B 86 6.525 -10.558 -1.648 1.00 45.30 C ATOM 2752 CD GLU B 86 7.261 -11.859 -1.350 1.00 50.86 C ATOM 2753 OE1 GLU B 86 6.601 -12.890 -1.047 1.00 51.94 O ATOM 2754 OE2 GLU B 86 8.513 -11.832 -1.407 1.00 53.23 O ATOM 2755 HA GLU B 86 5.107 -8.888 -3.247 1.00 0.00 H ATOM 2756 HB2 GLU B 86 4.529 -11.335 -1.580 1.00 0.00 H ATOM 2757 HB3 GLU B 86 5.255 -11.306 -3.204 1.00 0.00 H ATOM 2758 HG2 GLU B 86 7.131 -9.971 -2.338 1.00 0.00 H ATOM 2759 HG3 GLU B 86 6.405 -10.009 -0.714 1.00 0.00 H ATOM 2760 H GLU B 86 4.149 -9.241 -0.433 1.00 0.00 H ATOM 2761 N PHE B 87 3.047 -10.179 -4.385 1.00 50.54 N ATOM 2762 CA PHE B 87 1.958 -9.867 -5.333 1.00 55.96 C ATOM 2763 C PHE B 87 1.505 -8.400 -5.129 1.00 55.36 C ATOM 2764 O PHE B 87 0.407 -8.133 -4.660 1.00 55.52 O ATOM 2765 CB PHE B 87 0.818 -10.928 -5.341 1.00 57.32 C ATOM 2766 CG PHE B 87 -0.055 -10.960 -4.100 1.00 58.72 C ATOM 2767 CD1 PHE B 87 -1.363 -10.480 -4.147 1.00 59.72 C ATOM 2768 CD2 PHE B 87 0.401 -11.531 -2.907 1.00 59.02 C ATOM 2769 CE1 PHE B 87 -2.181 -10.528 -3.025 1.00 59.28 C ATOM 2770 CE2 PHE B 87 -0.415 -11.588 -1.780 1.00 57.05 C ATOM 2771 CZ PHE B 87 -1.709 -11.086 -1.837 1.00 58.34 C ATOM 2772 HA PHE B 87 2.339 -9.939 -6.352 1.00 0.00 H ATOM 2773 HB2 PHE B 87 0.176 -10.725 -6.198 1.00 0.00 H ATOM 2774 HB3 PHE B 87 1.275 -11.911 -5.456 1.00 0.00 H ATOM 2775 HD2 PHE B 87 1.411 -11.938 -2.859 1.00 0.00 H ATOM 2776 HE2 PHE B 87 -0.039 -12.026 -0.855 1.00 0.00 H ATOM 2777 HZ PHE B 87 -2.352 -11.128 -0.958 1.00 0.00 H ATOM 2778 HE1 PHE B 87 -3.194 -10.129 -3.073 1.00 0.00 H ATOM 2779 HD1 PHE B 87 -1.749 -10.061 -5.076 1.00 0.00 H ATOM 2780 H PHE B 87 3.778 -10.873 -4.643 1.00 0.00 H ATOM 2781 N PHE B 88 2.416 -7.479 -5.477 1.00 56.58 N ATOM 2782 CA PHE B 88 2.354 -6.038 -5.159 1.00 55.89 C ATOM 2783 C PHE B 88 1.076 -5.339 -5.600 1.00 57.20 C ATOM 2784 O PHE B 88 0.150 -5.175 -4.813 1.00 56.60 O ATOM 2785 CB PHE B 88 3.553 -5.308 -5.773 1.00 56.78 C ATOM 2786 HA PHE B 88 2.372 -5.990 -4.070 1.00 0.00 H ATOM 2787 HB2 PHE B 88 4.476 -5.724 -5.369 1.00 0.00 H ATOM 2788 HB3 PHE B 88 3.539 -5.436 -6.855 1.00 0.00 H ATOM 2789 H PHE B 88 3.240 -7.809 -6.019 1.00 0.00 H TER 2790 PHE B 88 HETATM 2791 CA CA A 1 16.998 3.044 -1.910 1.00 26.37 CA HETATM 2792 CA CA A 2 21.375 -6.236 3.082 1.00 26.47 CA HETATM 2793 CA CA A 3 -3.044 -16.998 26.409 1.00 26.37 CA HETATM 2794 CA CA A 4 6.236 -21.375 21.417 1.00 26.47 CA HETATM 2795 O HOH 5 13.728 -5.499 -0.677 1.00 27.91 O HETATM 2796 O HOH 6 26.552 -2.907 14.877 1.00 40.79 O HETATM 2797 O HOH 7 19.340 -10.591 4.464 1.00 33.48 O HETATM 2798 O HOH 8 14.615 -8.978 14.908 1.00 29.73 O HETATM 2799 O HOH 9 14.920 9.403 15.797 1.00 33.35 O HETATM 2800 O HOH 10 19.305 2.404 -1.844 1.00 29.69 O HETATM 2801 O HOH 11 13.453 -8.946 17.498 1.00 35.54 O HETATM 2802 O HOH 12 24.235 5.913 2.134 1.00 32.25 O HETATM 2803 O HOH 13 26.615 0.072 4.777 1.00 44.01 O HETATM 2804 O HOH 14 20.315 10.917 5.487 1.00 39.05 O HETATM 2805 O HOH 15 24.339 2.059 2.445 1.00 31.36 O HETATM 2806 O HOH 16 20.033 -6.328 1.270 1.00 28.80 O HETATM 2807 O HOH 17 5.727 6.510 9.654 1.00 29.26 O HETATM 2808 O HOH 18 14.709 -5.704 20.638 1.00 36.52 O HETATM 2809 O HOH 19 17.344 9.751 1.518 1.00 44.02 O HETATM 2810 O HOH 20 -10.022 -8.390 9.843 1.00 34.48 O HETATM 2811 O HOH 21 21.287 1.952 -3.732 1.00 30.51 O HETATM 2812 O HOH 22 19.705 -7.858 13.888 1.00 45.53 O HETATM 2813 O HOH 23 13.398 -11.033 13.305 1.00 35.56 O HETATM 2814 O HOH 24 14.696 12.100 15.522 1.00 41.25 O HETATM 2815 O HOH 25 9.159 -8.742 11.949 1.00 34.83 O HETATM 2816 O HOH 26 17.789 -6.882 9.933 1.00 35.19 O HETATM 2817 O HOH 27 29.199 -2.087 14.329 1.00 45.25 O HETATM 2818 O HOH 28 -3.286 0.214 12.972 1.00 37.21 O HETATM 2819 O HOH 29 12.660 -10.741 8.466 1.00 35.79 O HETATM 2820 O HOH 30 23.764 3.030 16.448 1.00 56.14 O HETATM 2821 O HOH 31 15.955 5.462 -7.039 1.00 48.02 O HETATM 2822 O HOH 32 18.114 -9.596 9.301 1.00 35.14 O HETATM 2823 O HOH 33 10.106 2.417 -3.365 1.00 43.55 O HETATM 2824 O HOH 34 26.302 -0.764 -0.239 1.00 42.78 O HETATM 2825 O HOH 35 15.731 -6.404 -2.564 1.00 34.55 O HETATM 2826 O HOH 36 10.822 8.771 -2.554 1.00 48.70 O HETATM 2827 O HOH 37 24.480 -6.072 16.355 1.00 40.26 O HETATM 2828 O HOH 38 13.454 -2.560 26.001 1.00 48.94 O HETATM 2829 O HOH 39 4.902 6.376 6.896 1.00 33.93 O HETATM 2830 O HOH 40 13.756 8.861 22.607 1.00 58.50 O HETATM 2831 O HOH 41 -4.011 -0.657 18.543 1.00 39.95 O HETATM 2832 O HOH 42 2.010 -7.113 30.908 1.00 60.04 O HETATM 2833 O HOH 43 22.655 -1.759 16.715 1.00 47.02 O HETATM 2834 O HOH 44 18.699 1.180 16.687 1.00 57.76 O HETATM 2835 O HOH 45 19.428 6.012 17.363 1.00 52.61 O HETATM 2836 O HOH 46 23.842 10.223 16.417 1.00 56.22 O HETATM 2837 O HOH 47 9.156 2.787 23.675 1.00 52.02 O HETATM 2838 O HOH 48 11.260 0.078 32.651 1.00 75.83 O HETATM 2839 O HOH 49 13.592 -8.810 1.083 1.00 38.26 O HETATM 2840 O HOH 50 3.349 4.172 7.071 1.00 33.50 O HETATM 2841 O HOH 51 -2.045 2.008 7.012 1.00 36.95 O HETATM 2842 O HOH 52 8.324 13.169 11.156 1.00 41.51 O HETATM 2843 O HOH 53 24.362 8.800 5.773 1.00 41.10 O HETATM 2844 O HOH 54 -9.587 -3.647 14.452 1.00 35.17 O HETATM 2845 O HOH 55 26.966 -4.394 6.506 1.00 39.08 O HETATM 2846 O HOH 56 15.796 0.202 -8.303 1.00 45.20 O HETATM 2847 O HOH 57 26.919 -1.585 6.680 1.00 45.26 O HETATM 2848 O HOH 58 23.026 -1.522 -3.774 1.00 39.49 O HETATM 2849 O HOH 59 24.757 1.120 -1.620 1.00 37.25 O HETATM 2850 O HOH 60 17.845 -10.556 2.497 1.00 40.85 O HETATM 2851 O HOH 61 26.459 -6.387 8.464 1.00 40.50 O HETATM 2852 O HOH 62 10.976 -9.752 1.577 1.00 35.97 O HETATM 2853 O HOH 63 10.603 6.038 -6.862 1.00 46.13 O HETATM 2854 O HOH 64 -9.390 3.498 8.253 1.00 71.88 O HETATM 2855 O HOH 65 10.855 6.785 -1.522 1.00 55.10 O HETATM 2856 O HOH 66 26.347 14.868 17.551 1.00 67.52 O HETATM 2857 O HOH 67 17.501 -8.392 -1.232 1.00 42.18 O HETATM 2858 O HOH 68 3.938 6.535 3.323 1.00 37.33 O HETATM 2859 O HOH 69 10.199 -3.437 -2.896 1.00 43.33 O HETATM 2860 O HOH 70 9.217 -8.603 0.107 1.00 46.17 O HETATM 2861 O HOH 71 17.871 13.089 9.090 1.00 49.56 O HETATM 2862 O HOH 72 -4.383 1.290 16.742 1.00 41.31 O HETATM 2863 O HOH 73 23.760 -14.202 4.904 1.00 56.80 O HETATM 2864 O HOH 74 29.295 1.715 6.881 1.00 63.45 O HETATM 2865 O HOH 75 4.463 -7.486 28.787 1.00 54.21 O HETATM 2866 O HOH 76 21.200 -3.373 -4.770 1.00 40.06 O HETATM 2867 O HOH 77 -11.966 3.427 8.163 1.00 75.62 O HETATM 2868 O HOH 78 0.599 2.743 -0.450 1.00245.44 O HETATM 2869 O HOH 79 20.069 14.589 12.318 1.00 51.00 O HETATM 2870 O HOH 80 28.045 -0.329 8.512 1.00 45.25 O HETATM 2871 O HOH 81 20.991 -12.891 4.530 1.00 50.75 O HETATM 2872 O HOH 82 10.544 12.302 5.218 1.00 48.01 O HETATM 2873 O HOH 83 21.836 -8.577 -1.503 1.00 58.14 O HETATM 2874 O HOH 84 19.230 -7.384 -4.888 1.00 52.44 O HETATM 2875 O HOH 85 20.631 -13.906 7.125 1.00 51.25 O HETATM 2876 O HOH 86 23.120 11.181 4.748 1.00 47.26 O HETATM 2877 O HOH 87 10.747 -10.729 4.311 1.00 34.35 O HETATM 2878 O HOH 88 1.479 6.542 4.805 1.00 44.23 O HETATM 2879 O HOH 89 11.232 -5.869 -1.762 1.00 39.04 O HETATM 2880 O HOH 90 10.783 -11.352 6.794 1.00 44.76 O HETATM 2881 O HOH 91 1.301 9.248 6.243 1.00 45.05 O HETATM 2882 O HOH 92 0.488 4.717 1.183 1.00104.19 O HETATM 2883 O HOH 93 3.799 8.952 7.499 1.00 34.60 O HETATM 2884 O HOH 94 5.499 -13.728 25.176 1.00 27.91 O HETATM 2885 O HOH 95 2.907 -26.552 9.622 1.00 40.79 O HETATM 2886 O HOH 96 10.591 -19.340 20.035 1.00 33.48 O HETATM 2887 O HOH 97 8.978 -14.615 9.591 1.00 29.73 O HETATM 2888 O HOH 98 -9.403 -14.920 8.702 1.00 33.35 O HETATM 2889 O HOH 99 -2.404 -19.305 26.343 1.00 29.69 O HETATM 2890 O HOH 100 8.946 -13.453 7.001 1.00 35.54 O HETATM 2891 O HOH 101 -5.913 -24.235 22.365 1.00 32.25 O HETATM 2892 O HOH 102 -0.072 -26.615 19.722 1.00 44.01 O HETATM 2893 O HOH 103 -10.917 -20.315 19.012 1.00 39.05 O HETATM 2894 O HOH 104 -2.059 -24.339 22.054 1.00 31.36 O HETATM 2895 O HOH 105 6.328 -20.033 23.229 1.00 28.80 O HETATM 2896 O HOH 106 -6.510 -5.727 14.845 1.00 29.26 O HETATM 2897 O HOH 107 5.704 -14.709 3.861 1.00 36.52 O HETATM 2898 O HOH 108 -9.751 -17.344 22.981 1.00 44.02 O HETATM 2899 O HOH 109 8.390 10.022 14.656 1.00 34.48 O HETATM 2900 O HOH 110 -1.952 -21.287 28.231 1.00 30.51 O HETATM 2901 O HOH 111 7.858 -19.705 10.611 1.00 45.53 O HETATM 2902 O HOH 112 11.033 -13.398 11.194 1.00 35.56 O HETATM 2903 O HOH 113 -12.100 -14.696 8.977 1.00 41.25 O HETATM 2904 O HOH 114 6.882 -17.789 14.566 1.00 35.19 O HETATM 2905 O HOH 115 2.087 -29.199 10.170 1.00 45.25 O HETATM 2906 O HOH 116 -0.214 3.286 11.527 1.00 37.21 O HETATM 2907 O HOH 117 10.741 -12.660 16.033 1.00 35.79 O HETATM 2908 O HOH 118 -3.030 -23.764 8.051 1.00 56.14 O HETATM 2909 O HOH 119 -5.462 -15.955 31.538 1.00 48.02 O HETATM 2910 O HOH 120 9.596 -18.114 15.198 1.00 35.14 O HETATM 2911 O HOH 121 -2.417 -10.106 27.864 1.00 43.55 O HETATM 2912 O HOH 122 0.764 -26.302 24.738 1.00 42.78 O HETATM 2913 O HOH 123 6.404 -15.731 27.063 1.00 34.55 O HETATM 2914 O HOH 124 -8.771 -10.822 27.053 1.00 48.70 O HETATM 2915 O HOH 125 6.072 -24.480 8.144 1.00 40.26 O HETATM 2916 O HOH 126 2.560 -13.454 -1.502 1.00 48.94 O HETATM 2917 O HOH 127 -6.376 -4.902 17.603 1.00 33.93 O HETATM 2918 O HOH 128 -8.861 -13.756 1.892 1.00 58.50 O HETATM 2919 O HOH 129 0.657 4.011 5.956 1.00 39.95 O HETATM 2920 O HOH 130 7.113 -2.010 -6.409 1.00 60.04 O HETATM 2921 O HOH 131 1.759 -22.655 7.784 1.00 47.02 O HETATM 2922 O HOH 132 -1.180 -18.699 7.812 1.00 57.76 O HETATM 2923 O HOH 133 -6.012 -19.428 7.136 1.00 52.61 O HETATM 2924 O HOH 134 -10.223 -23.842 8.082 1.00 56.22 O HETATM 2925 O HOH 135 -2.787 -9.156 0.824 1.00 52.02 O HETATM 2926 O HOH 136 -0.078 -11.260 -8.152 1.00 75.83 O HETATM 2927 O HOH 137 8.810 -13.592 23.416 1.00 38.26 O HETATM 2928 O HOH 138 -4.172 -3.349 17.428 1.00 33.50 O HETATM 2929 O HOH 139 -2.008 2.045 17.487 1.00 36.95 O HETATM 2930 O HOH 140 -13.169 -8.324 13.343 1.00 41.51 O HETATM 2931 O HOH 141 -8.800 -24.362 18.726 1.00 41.10 O HETATM 2932 O HOH 142 3.647 9.587 10.047 1.00 35.17 O HETATM 2933 O HOH 143 4.394 -26.966 17.993 1.00 39.08 O HETATM 2934 O HOH 144 -0.202 -15.796 32.802 1.00 45.20 O HETATM 2935 O HOH 145 1.585 -26.919 17.819 1.00 45.26 O HETATM 2936 O HOH 146 1.522 -23.026 28.273 1.00 39.49 O HETATM 2937 O HOH 147 -1.120 -24.757 26.119 1.00 37.25 O HETATM 2938 O HOH 148 10.556 -17.845 22.002 1.00 40.85 O HETATM 2939 O HOH 149 6.387 -26.459 16.035 1.00 40.50 O HETATM 2940 O HOH 150 9.752 -10.976 22.922 1.00 35.97 O HETATM 2941 O HOH 151 -6.038 -10.603 31.361 1.00 46.13 O HETATM 2942 O HOH 152 -3.498 9.390 16.246 1.00 71.88 O HETATM 2943 O HOH 153 -6.785 -10.855 26.021 1.00 55.10 O HETATM 2944 O HOH 154 -14.868 -26.347 6.948 1.00 67.52 O HETATM 2945 O HOH 155 8.392 -17.501 25.731 1.00 42.18 O HETATM 2946 O HOH 156 -6.535 -3.938 21.176 1.00 37.33 O HETATM 2947 O HOH 157 3.437 -10.199 27.395 1.00 43.33 O HETATM 2948 O HOH 158 8.603 -9.217 24.392 1.00 46.17 O HETATM 2949 O HOH 159 -13.089 -17.871 15.409 1.00 49.56 O HETATM 2950 O HOH 160 -1.290 4.383 7.757 1.00 41.31 O HETATM 2951 O HOH 161 14.202 -23.760 19.595 1.00 56.80 O HETATM 2952 O HOH 162 -1.715 -29.295 17.618 1.00 63.45 O HETATM 2953 O HOH 163 7.486 -4.463 -4.288 1.00 54.21 O HETATM 2954 O HOH 164 3.373 -21.200 29.269 1.00 40.06 O HETATM 2955 O HOH 165 -3.427 11.966 16.336 1.00 75.62 O HETATM 2956 O HOH 166 -2.743 -0.599 24.949 1.00245.44 O HETATM 2957 O HOH 167 -14.589 -20.069 12.181 1.00 51.00 O HETATM 2958 O HOH 168 0.329 -28.045 15.987 1.00 45.25 O HETATM 2959 O HOH 169 12.891 -20.991 19.969 1.00 50.75 O HETATM 2960 O HOH 170 -12.302 -10.544 19.281 1.00 48.01 O HETATM 2961 O HOH 171 8.577 -21.836 26.002 1.00 58.14 O HETATM 2962 O HOH 172 7.384 -19.230 29.387 1.00 52.44 O HETATM 2963 O HOH 173 13.906 -20.631 17.374 1.00 51.25 O HETATM 2964 O HOH 174 -11.181 -23.120 19.751 1.00 47.26 O HETATM 2965 O HOH 175 10.729 -10.747 20.188 1.00 34.35 O HETATM 2966 O HOH 176 -6.542 -1.479 19.694 1.00 44.23 O HETATM 2967 O HOH 177 5.869 -11.232 26.261 1.00 39.04 O HETATM 2968 O HOH 178 11.352 -10.783 17.705 1.00 44.76 O HETATM 2969 O HOH 179 -9.248 -1.301 18.256 1.00 45.05 O HETATM 2970 O HOH 180 -4.717 -0.488 23.316 1.00104.19 O HETATM 2971 O HOH 181 -8.952 -3.799 17.000 1.00 34.60 O HETATM 2972 N2 AZ A 3 14.802 4.801 25.768 1.00 -0.27 N HETATM 2973 C7 AZ A 3 13.923 4.899 24.867 1.00 0.23 C HETATM 2974 N1 AZ A 3 14.234 4.625 23.592 1.00 -0.27 N HETATM 2975 H AZ A 3 13.524 4.709 22.864 1.00 0.32 H HETATM 2976 H AZ A 3 15.181 4.333 23.349 1.00 0.32 H HETATM 2977 C3 AZ A 3 12.517 5.330 25.207 1.00 0.01 C HETATM 2978 C2 AZ A 3 11.723 5.925 24.222 1.00 -0.07 C HETATM 2979 C1 AZ A 3 10.423 6.329 24.512 1.00 -0.03 C HETATM 2980 C6 AZ A 3 9.904 6.130 25.793 1.00 0.09 C HETATM 2981 C5 AZ A 3 10.694 5.529 26.776 1.00 -0.03 C HETATM 2982 C4 AZ A 3 12.000 5.130 26.489 1.00 -0.07 C HETATM 2983 H AZ A 3 12.613 4.665 27.261 1.00 0.06 H HETATM 2984 H AZ A 3 10.287 5.370 27.775 1.00 0.05 H HETATM 2985 O1 AZ A 3 8.626 6.510 26.136 1.00 -0.32 O HETATM 2986 C8 AZ A 3 7.698 7.158 25.263 1.00 0.07 C HETATM 2987 C9 AZ A 3 7.192 6.180 24.207 1.00 -0.03 C HETATM 2988 C10 AZ A 3 5.834 5.577 24.533 1.00 -0.05 C HETATM 2989 C11 AZ A 3 5.698 4.216 23.853 1.00 -0.05 C HETATM 2990 C12 AZ A 3 4.534 3.413 24.423 1.00 -0.05 C HETATM 2991 C13 AZ A 3 3.662 2.832 23.305 1.00 -0.03 C HETATM 2992 C14 AZ A 3 3.356 1.326 23.396 1.00 0.07 C HETATM 2993 O2 AZ A 3 3.737 0.849 24.679 1.00 -0.32 O HETATM 2994 C15 AZ A 3 3.362 -0.355 25.234 1.00 0.09 C HETATM 2995 C16 AZ A 3 2.076 -0.933 25.124 1.00 -0.03 C HETATM 2996 C17 AZ A 3 1.794 -2.151 25.755 1.00 -0.07 C HETATM 2997 C18 AZ A 3 2.827 -2.752 26.489 1.00 0.01 C HETATM 2998 C19 AZ A 3 4.089 -2.172 26.568 1.00 -0.07 C HETATM 2999 C20 AZ A 3 4.365 -0.970 25.954 1.00 -0.03 C HETATM 3000 H AZ A 3 5.353 -0.516 26.035 1.00 0.05 H HETATM 3001 H AZ A 3 4.875 -2.679 27.127 1.00 0.06 H HETATM 3002 C21 AZ A 3 2.697 -4.061 27.195 1.00 0.23 C HETATM 3003 N3 AZ A 3 3.748 -4.893 27.212 1.00 -0.27 N HETATM 3004 H AZ A 3 4.617 -4.627 26.748 1.00 0.32 H HETATM 3005 H AZ A 3 3.679 -5.792 27.689 1.00 0.32 H HETATM 3006 N4 AZ A 3 1.625 -4.381 27.766 1.00 -0.27 N HETATM 3007 H AZ A 3 0.829 -3.743 27.751 1.00 0.32 H HETATM 3008 H AZ A 3 1.550 -5.279 28.245 1.00 0.32 H HETATM 3009 H AZ A 3 0.810 -2.614 25.679 1.00 0.06 H HETATM 3010 H AZ A 3 1.302 -0.429 24.546 1.00 0.05 H HETATM 3011 H AZ A 3 3.914 0.792 22.627 1.00 0.06 H HETATM 3012 H AZ A 3 2.289 1.159 23.246 1.00 0.06 H HETATM 3013 H AZ A 3 4.219 2.974 22.379 1.00 0.03 H HETATM 3014 H AZ A 3 2.701 3.343 23.371 1.00 0.03 H HETATM 3015 H AZ A 3 3.921 4.075 25.034 1.00 0.03 H HETATM 3016 H AZ A 3 4.935 2.590 25.015 1.00 0.03 H HETATM 3017 H AZ A 3 6.617 3.655 24.022 1.00 0.03 H HETATM 3018 H AZ A 3 5.514 4.380 22.791 1.00 0.03 H HETATM 3019 H AZ A 3 5.048 6.241 24.173 1.00 0.03 H HETATM 3020 H AZ A 3 5.744 5.452 25.612 1.00 0.03 H HETATM 3021 H AZ A 3 7.908 5.360 24.152 1.00 0.03 H HETATM 3022 H AZ A 3 7.087 6.733 23.274 1.00 0.03 H HETATM 3023 H AZ A 3 8.198 7.990 24.767 1.00 0.06 H HETATM 3024 H AZ A 3 6.852 7.519 25.848 1.00 0.06 H HETATM 3025 H AZ A 3 9.812 6.799 23.742 1.00 0.05 H HETATM 3026 H AZ A 3 12.125 6.074 23.220 1.00 0.06 H HETATM 3027 H AZ A 3 14.565 5.014 26.737 1.00 0.32 H HETATM 3028 H AZ A 3 15.749 4.509 25.527 1.00 0.32 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 297 296 2791 CONECT 339 338 2791 CONECT 361 360 2791 CONECT 411 410 2791 CONECT 1012 1011 2792 CONECT 1035 1034 2792 CONECT 1054 1053 2792 CONECT 1070 1069 2792 CONECT 1396 1397 1412 1413 1414 CONECT 1412 1396 CONECT 1413 1396 CONECT 1414 1396 CONECT 1692 1691 2793 CONECT 1734 1733 2793 CONECT 1756 1755 2793 CONECT 1806 1805 2793 CONECT 2407 2406 2794 CONECT 2430 2429 2794 CONECT 2449 2448 2794 CONECT 2465 2464 2794 CONECT 2791 297 339 361 411 CONECT 2792 1012 1035 1054 1070 CONECT 2793 1692 1734 1756 1806 CONECT 2794 2407 2430 2449 2465 CONECT 2972 2973 3027 3028 CONECT 2973 2972 2974 2977 CONECT 2974 2973 2975 2976 CONECT 2975 2974 CONECT 2976 2974 CONECT 2977 2973 2978 2982 CONECT 2978 2977 2979 3026 CONECT 2979 2978 2980 3025 CONECT 2980 2979 2981 2985 CONECT 2981 2980 2982 2984 CONECT 2982 2977 2981 2983 CONECT 2983 2982 CONECT 2984 2981 CONECT 2985 2980 2986 CONECT 2986 2985 2987 3023 3024 CONECT 2987 2986 2988 3021 3022 CONECT 2988 2987 2989 3019 3020 CONECT 2989 2988 2990 3017 3018 CONECT 2990 2989 2991 3015 3016 CONECT 2991 2990 2992 3013 3014 CONECT 2992 2991 2993 3011 3012 CONECT 2993 2992 2994 CONECT 2994 2993 2995 2999 CONECT 2995 2994 2996 3010 CONECT 2996 2995 2997 3009 CONECT 2997 2996 2998 3002 CONECT 2998 2997 2999 3001 CONECT 2999 2994 2998 3000 CONECT 3000 2999 CONECT 3001 2998 CONECT 3002 2997 3003 3006 CONECT 3003 3002 3004 3005 CONECT 3004 3003 CONECT 3005 3003 CONECT 3006 3002 3007 3008 CONECT 3007 3006 CONECT 3008 3006 CONECT 3009 2996 CONECT 3010 2995 CONECT 3011 2992 CONECT 3012 2992 CONECT 3013 2991 CONECT 3014 2991 CONECT 3015 2990 CONECT 3016 2990 CONECT 3017 2989 CONECT 3018 2989 CONECT 3019 2988 CONECT 3020 2988 CONECT 3021 2987 CONECT 3022 2987 CONECT 3023 2986 CONECT 3024 2986 CONECT 3025 2979 CONECT 3026 2978 CONECT 3027 2972 CONECT 3028 2972 MASTER 0 0 0 0 0 0 0 0 3026 2 85 14 END
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Protein Sequence Similarity
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PDBbind
92aa, >3GK1_1|Chain... at 95%
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92aa, >3GK4_1|Chain... at 95%
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PDBbind
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PDBbind
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3lle
RCSB PDB
PDBbind
92aa, >3LLE_1|Chains... at 95%
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RCSB PDB
PDBbind
92aa, >4XYN_2|Chains... at 97%
5dkn
RCSB PDB
PDBbind
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PDBbind
92aa, >5DKR_1|Chains... at 95%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4fqo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein S100-B
Ligand Name
AZ3
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=6.9uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) ACS Med Chem Lett Vol. 3: pp. 975-979
Ligand Properties
Formula
C
2
1
H
3
0
N
4
O
2
Molecular Weight
370.489
Exact Mass
370.237
No. of atoms
57
No. of bonds
58
Polar Surface Area
121.68
LOGP Value
7.11 (
Computed with XLOGP3
)
1.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
NC(=[NH2+])c1ccc(cc1)OCCCCCCCOc1ccc(cc1)C(=[NH2+])N
InChI String
InChI=1S/C21H28N4O2/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13H,1-5,14-15H2,(H3,22,23)(H3,24,25)/p+2
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P02638
Entrez Gene ID
NCBI Entrez Gene ID:
525716
ASD
Information of known allosteric effects of PDB entries
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