Browse entries in the PDBbind-CN Database
HEADER 4EXH_COMPLEX COMPND 4EXH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 GLU PRO PRO PRO GLU PRO ARG ILE THR LEU LYS VAL GLY SEQRES 2 A 114 GLY GLN PRO VAL THR PHE LEU VAL ASP THR GLY ALA GLN SEQRES 3 A 114 HIS SER VAL LEU THR GLN ASN PRO GLY PRO LEU SER ASP SEQRES 4 A 114 LYS SER ALA TRP VAL GLN GLY ALA THR GLY GLY LYS ARG SEQRES 5 A 114 TYR ARG TRP THR THR ASP ARG LYS VAL HIS LEU ALA THR SEQRES 6 A 114 GLY LYS VAL THR HIS SER PHE LEU HIS VAL PRO ASP CYS SEQRES 7 A 114 PRO TYR PRO LEU LEU GLY ARG ASP LEU LEU THR LYS LEU SEQRES 8 A 114 LYS ALA GLN ILE HIS PHE GLU GLY SER GLY ALA GLN VAL SEQRES 9 A 114 VAL GLY PRO MET GLY GLN PRO LEU GLN VAL SEQRES 1 B 112 GLU PRO PRO PRO GLU PRO ARG ILE THR LEU LYS VAL GLY SEQRES 2 B 112 GLY GLN PRO VAL THR PHE LEU VAL ASP THR GLY ALA GLN SEQRES 3 B 112 HIS SER VAL LEU THR GLN ASN PRO GLY PRO LEU SER ASP SEQRES 4 B 112 LYS SER ALA TRP VAL GLN GLY ALA THR GLY GLY LYS ARG SEQRES 5 B 112 TYR ARG TRP THR THR ASP ARG LYS VAL HIS LEU ALA THR SEQRES 6 B 112 GLY LYS VAL THR HIS SER PHE LEU HIS VAL PRO ASP CYS SEQRES 7 B 112 PRO TYR PRO LEU LEU GLY ARG ASP LEU LEU THR LYS LEU SEQRES 8 B 112 LYS ALA GLN ILE HIS PHE GLU GLY SER GLY ALA GLN VAL SEQRES 9 B 112 VAL GLY PRO MET GLY GLN PRO LEU HET ACE A 273 67 ATOM 1 CA GLU A 11 -20.284 -3.739 3.591 1.00 68.57 C ATOM 2 C GLU A 11 -19.050 -4.277 4.321 1.00 66.49 C ATOM 3 O GLU A 11 -18.689 -3.760 5.387 1.00 66.46 O ATOM 4 HA GLU A 11 -21.156 -3.830 4.239 1.00 0.00 H ATOM 5 N PRO A 12 -18.399 -5.322 3.759 1.00 65.37 N ATOM 6 CA PRO A 12 -17.181 -5.864 4.370 1.00 62.43 C ATOM 7 C PRO A 12 -15.991 -4.928 4.129 1.00 60.06 C ATOM 8 O PRO A 12 -16.097 -4.015 3.305 1.00 61.30 O ATOM 9 CB PRO A 12 -16.969 -7.180 3.613 1.00 62.99 C ATOM 10 CG PRO A 12 -17.567 -6.927 2.263 1.00 65.57 C ATOM 11 CD PRO A 12 -18.748 -6.024 2.506 1.00 66.48 C ATOM 12 HA PRO A 12 -17.266 -5.987 5.450 1.00 0.00 H ATOM 13 HD3 PRO A 12 -18.873 -5.317 1.686 1.00 0.00 H ATOM 14 HD2 PRO A 12 -19.663 -6.604 2.627 1.00 0.00 H ATOM 15 HG3 PRO A 12 -17.891 -7.863 1.808 1.00 0.00 H ATOM 16 HG2 PRO A 12 -16.842 -6.439 1.611 1.00 0.00 H ATOM 17 HB2 PRO A 12 -15.907 -7.411 3.529 1.00 0.00 H ATOM 18 HB3 PRO A 12 -17.480 -8.002 4.115 1.00 0.00 H ATOM 19 N PRO A 13 -14.865 -5.140 4.846 1.00 56.78 N ATOM 20 CA PRO A 13 -13.668 -4.372 4.522 1.00 54.29 C ATOM 21 C PRO A 13 -13.125 -4.764 3.146 1.00 53.15 C ATOM 22 O PRO A 13 -13.500 -5.811 2.625 1.00 53.07 O ATOM 23 CB PRO A 13 -12.684 -4.779 5.622 1.00 52.86 C ATOM 24 CG PRO A 13 -13.191 -6.076 6.128 1.00 53.78 C ATOM 25 CD PRO A 13 -14.666 -5.979 6.041 1.00 54.99 C ATOM 26 HA PRO A 13 -13.849 -3.298 4.480 1.00 0.00 H ATOM 27 HD3 PRO A 13 -15.118 -6.962 5.911 1.00 0.00 H ATOM 28 HD2 PRO A 13 -15.082 -5.504 6.929 1.00 0.00 H ATOM 29 HG3 PRO A 13 -12.878 -6.232 7.161 1.00 0.00 H ATOM 30 HG2 PRO A 13 -12.825 -6.897 5.511 1.00 0.00 H ATOM 31 HB2 PRO A 13 -11.679 -4.892 5.215 1.00 0.00 H ATOM 32 HB3 PRO A 13 -12.670 -4.035 6.419 1.00 0.00 H ATOM 33 N PRO A 14 -12.256 -3.924 2.551 1.00 51.92 N ATOM 34 CA PRO A 14 -11.626 -4.317 1.300 1.00 51.41 C ATOM 35 C PRO A 14 -10.612 -5.453 1.487 1.00 49.77 C ATOM 36 O PRO A 14 -10.234 -5.777 2.617 1.00 48.53 O ATOM 37 CB PRO A 14 -10.899 -3.045 0.864 1.00 52.15 C ATOM 38 CG PRO A 14 -10.668 -2.289 2.138 1.00 51.93 C ATOM 39 CD PRO A 14 -11.873 -2.560 2.959 1.00 51.66 C ATOM 40 HA PRO A 14 -12.353 -4.691 0.580 1.00 0.00 H ATOM 41 HD3 PRO A 14 -11.639 -2.521 4.023 1.00 0.00 H ATOM 42 HD2 PRO A 14 -12.667 -1.847 2.736 1.00 0.00 H ATOM 43 HG3 PRO A 14 -10.569 -1.222 1.940 1.00 0.00 H ATOM 44 HG2 PRO A 14 -9.770 -2.648 2.641 1.00 0.00 H ATOM 45 HB2 PRO A 14 -9.952 -3.288 0.383 1.00 0.00 H ATOM 46 HB3 PRO A 14 -11.515 -2.465 0.178 1.00 0.00 H ATOM 47 N GLU A 15 -10.192 -6.046 0.375 1.00 49.17 N ATOM 48 CA GLU A 15 -9.086 -6.994 0.358 1.00 48.36 C ATOM 49 C GLU A 15 -7.809 -6.227 0.691 1.00 46.84 C ATOM 50 O GLU A 15 -7.719 -5.037 0.369 1.00 46.40 O ATOM 51 CB GLU A 15 -8.960 -7.606 -1.037 1.00 49.78 C ATOM 52 CG GLU A 15 -10.123 -8.529 -1.439 1.00 53.49 C ATOM 53 CD GLU A 15 -9.814 -9.381 -2.681 1.00 60.72 C ATOM 54 OE1 GLU A 15 -8.853 -9.075 -3.426 1.00 62.57 O ATOM 55 OE2 GLU A 15 -10.533 -10.375 -2.915 1.00 64.60 O ATOM 56 HA GLU A 15 -9.255 -7.792 1.081 1.00 0.00 H ATOM 57 HB2 GLU A 15 -8.905 -6.793 -1.761 1.00 0.00 H ATOM 58 HB3 GLU A 15 -8.038 -8.186 -1.072 1.00 0.00 H ATOM 59 HG2 GLU A 15 -10.341 -9.196 -0.605 1.00 0.00 H ATOM 60 HG3 GLU A 15 -10.998 -7.914 -1.649 1.00 0.00 H ATOM 61 H GLU A 15 -10.673 -5.824 -0.520 1.00 0.00 H ATOM 62 N PRO A 16 -6.820 -6.884 1.336 1.00 45.12 N ATOM 63 CA PRO A 16 -6.829 -8.254 1.849 1.00 44.29 C ATOM 64 C PRO A 16 -7.627 -8.321 3.144 1.00 43.56 C ATOM 65 O PRO A 16 -7.483 -7.450 4.003 1.00 41.40 O ATOM 66 CB PRO A 16 -5.352 -8.545 2.122 1.00 44.05 C ATOM 67 CG PRO A 16 -4.746 -7.209 2.385 1.00 43.76 C ATOM 68 CD PRO A 16 -5.501 -6.246 1.501 1.00 45.11 C ATOM 69 HA PRO A 16 -7.283 -8.967 1.161 1.00 0.00 H ATOM 70 HD3 PRO A 16 -5.597 -5.272 1.980 1.00 0.00 H ATOM 71 HD2 PRO A 16 -5.003 -6.129 0.539 1.00 0.00 H ATOM 72 HG3 PRO A 16 -3.687 -7.213 2.128 1.00 0.00 H ATOM 73 HG2 PRO A 16 -4.863 -6.936 3.434 1.00 0.00 H ATOM 74 HB2 PRO A 16 -5.242 -9.195 2.990 1.00 0.00 H ATOM 75 HB3 PRO A 16 -4.886 -9.015 1.256 1.00 0.00 H ATOM 76 N ARG A 17 -8.481 -9.334 3.259 1.00 43.39 N ATOM 77 CA ARG A 17 -9.321 -9.473 4.437 1.00 43.77 C ATOM 78 C ARG A 17 -9.373 -10.924 4.847 1.00 44.16 C ATOM 79 O ARG A 17 -9.089 -11.805 4.037 1.00 44.13 O ATOM 80 CB ARG A 17 -10.733 -8.942 4.184 1.00 45.20 C ATOM 81 CG ARG A 17 -11.520 -9.681 3.126 1.00 48.65 C ATOM 82 CD ARG A 17 -12.934 -9.126 3.021 1.00 53.32 C ATOM 83 NE ARG A 17 -13.574 -9.578 1.789 1.00 56.14 N ATOM 84 CZ ARG A 17 -13.805 -8.815 0.727 1.00 58.57 C ATOM 85 NH1 ARG A 17 -13.469 -7.534 0.722 1.00 60.06 N ATOM 86 NH2 ARG A 17 -14.377 -9.344 -0.339 1.00 60.70 N ATOM 87 HA ARG A 17 -8.887 -8.880 5.242 1.00 0.00 H ATOM 88 HB2 ARG A 17 -11.288 -9.001 5.120 1.00 0.00 H ATOM 89 HB3 ARG A 17 -10.651 -7.899 3.877 1.00 0.00 H ATOM 90 HG2 ARG A 17 -11.019 -9.570 2.164 1.00 0.00 H ATOM 91 HG3 ARG A 17 -11.569 -10.738 3.389 1.00 0.00 H ATOM 92 HD2 ARG A 17 -12.893 -8.037 3.025 1.00 0.00 H ATOM 93 HD3 ARG A 17 -13.518 -9.469 3.875 1.00 0.00 H ATOM 94 HE ARG A 17 -13.872 -10.573 1.739 1.00 0.00 H ATOM 95 HH12 ARG A 17 -13.657 -6.950 -0.118 1.00 0.00 H ATOM 96 HH11 ARG A 17 -13.017 -7.112 1.558 1.00 0.00 H ATOM 97 HH22 ARG A 17 -14.562 -8.755 -1.176 1.00 0.00 H ATOM 98 HH21 ARG A 17 -14.642 -10.350 -0.342 1.00 0.00 H ATOM 99 H ARG A 17 -8.549 -10.037 2.495 1.00 0.00 H ATOM 100 N ILE A 18 -9.706 -11.161 6.114 1.00 43.16 N ATOM 101 CA ILE A 18 -9.783 -12.506 6.643 1.00 43.55 C ATOM 102 C ILE A 18 -10.899 -12.595 7.688 1.00 42.42 C ATOM 103 O ILE A 18 -11.102 -11.667 8.470 1.00 40.18 O ATOM 104 CB ILE A 18 -8.405 -12.933 7.209 1.00 43.64 C ATOM 105 CG1 ILE A 18 -8.403 -14.420 7.568 1.00 47.37 C ATOM 106 CG2 ILE A 18 -8.012 -12.065 8.395 1.00 43.56 C ATOM 107 CD1 ILE A 18 -7.090 -14.878 8.185 1.00 52.47 C ATOM 108 HA ILE A 18 -10.033 -13.204 5.844 1.00 0.00 H ATOM 109 HB ILE A 18 -7.653 -12.783 6.434 1.00 0.00 H ATOM 110 HG12 ILE A 18 -9.206 -14.607 8.280 1.00 0.00 H ATOM 111 HG13 ILE A 18 -8.582 -14.997 6.661 1.00 0.00 H ATOM 112 HD11 ILE A 18 -6.278 -14.705 7.478 1.00 0.00 H ATOM 113 HD12 ILE A 18 -6.904 -14.315 9.099 1.00 0.00 H ATOM 114 HD13 ILE A 18 -7.151 -15.941 8.418 1.00 0.00 H ATOM 115 HG21 ILE A 18 -7.954 -11.024 8.078 1.00 0.00 H ATOM 116 HG22 ILE A 18 -8.760 -12.165 9.181 1.00 0.00 H ATOM 117 HG23 ILE A 18 -7.041 -12.386 8.773 1.00 0.00 H ATOM 118 H ILE A 18 -9.916 -10.358 6.741 1.00 0.00 H ATOM 119 N THR A 19 -11.650 -13.688 7.675 1.00 42.91 N ATOM 120 CA THR A 19 -12.645 -13.900 8.718 1.00 43.81 C ATOM 121 C THR A 19 -12.110 -14.898 9.726 1.00 43.70 C ATOM 122 O THR A 19 -11.660 -15.981 9.353 1.00 44.39 O ATOM 123 CB THR A 19 -14.005 -14.348 8.169 1.00 45.14 C ATOM 124 OG1 THR A 19 -14.430 -13.423 7.167 1.00 47.77 O ATOM 125 CG2 THR A 19 -15.064 -14.364 9.275 1.00 45.23 C ATOM 126 HA THR A 19 -12.822 -12.941 9.205 1.00 0.00 H ATOM 127 HB THR A 19 -13.895 -15.352 7.760 1.00 0.00 H ATOM 128 HG1 THR A 19 -14.511 -12.521 7.566 1.00 0.00 H ATOM 129 HG23 THR A 19 -14.763 -15.064 10.054 1.00 0.00 H ATOM 130 HG21 THR A 19 -15.159 -13.365 9.700 1.00 0.00 H ATOM 131 HG22 THR A 19 -16.021 -14.675 8.856 1.00 0.00 H ATOM 132 H THR A 19 -11.529 -14.394 6.921 1.00 0.00 H ATOM 133 N LEU A 20 -12.156 -14.511 11.001 1.00 43.38 N ATOM 134 CA LEU A 20 -11.685 -15.351 12.100 1.00 42.83 C ATOM 135 C LEU A 20 -12.764 -15.457 13.151 1.00 42.83 C ATOM 136 O LEU A 20 -13.484 -14.488 13.416 1.00 43.49 O ATOM 137 CB LEU A 20 -10.448 -14.734 12.773 1.00 41.54 C ATOM 138 CG LEU A 20 -9.165 -14.531 11.979 1.00 41.66 C ATOM 139 CD1 LEU A 20 -8.119 -13.890 12.874 1.00 38.44 C ATOM 140 CD2 LEU A 20 -8.675 -15.868 11.395 1.00 43.47 C ATOM 141 HA LEU A 20 -11.434 -16.329 11.688 1.00 0.00 H ATOM 142 HB2 LEU A 20 -10.748 -13.753 13.141 1.00 0.00 H ATOM 143 HB3 LEU A 20 -10.197 -15.376 13.617 1.00 0.00 H ATOM 144 HG LEU A 20 -9.354 -13.864 11.138 1.00 0.00 H ATOM 145 HD21 LEU A 20 -8.482 -16.569 12.207 1.00 0.00 H ATOM 146 HD22 LEU A 20 -9.440 -16.277 10.735 1.00 0.00 H ATOM 147 HD23 LEU A 20 -7.757 -15.702 10.831 1.00 0.00 H ATOM 148 HD11 LEU A 20 -8.487 -12.927 13.228 1.00 0.00 H ATOM 149 HD12 LEU A 20 -7.923 -14.541 13.726 1.00 0.00 H ATOM 150 HD13 LEU A 20 -7.199 -13.743 12.308 1.00 0.00 H ATOM 151 H LEU A 20 -12.543 -13.572 11.223 1.00 0.00 H ATOM 152 N LYS A 21 -12.859 -16.625 13.764 1.00 42.75 N ATOM 153 CA LYS A 21 -13.670 -16.786 14.955 1.00 43.59 C ATOM 154 C LYS A 21 -12.930 -16.173 16.160 1.00 41.88 C ATOM 155 O LYS A 21 -11.815 -16.583 16.487 1.00 41.67 O ATOM 156 CB LYS A 21 -13.963 -18.267 15.201 1.00 44.14 C ATOM 157 CG LYS A 21 -14.893 -18.515 16.388 1.00 47.63 C ATOM 158 CD LYS A 21 -15.401 -19.946 16.399 1.00 54.33 C ATOM 159 CE LYS A 21 -16.452 -20.117 15.305 1.00 59.44 C ATOM 160 NZ LYS A 21 -16.897 -21.525 15.112 1.00 65.94 N ATOM 161 HA LYS A 21 -14.621 -16.271 14.819 1.00 0.00 H ATOM 162 HB2 LYS A 21 -14.428 -18.680 14.306 1.00 0.00 H ATOM 163 HB3 LYS A 21 -13.019 -18.779 15.389 1.00 0.00 H ATOM 164 HG2 LYS A 21 -14.348 -18.324 17.313 1.00 0.00 H ATOM 165 HG3 LYS A 21 -15.743 -17.836 16.322 1.00 0.00 H ATOM 166 HD2 LYS A 21 -14.571 -20.629 16.217 1.00 0.00 H ATOM 167 HD3 LYS A 21 -15.846 -20.167 17.369 1.00 0.00 H ATOM 168 HE2 LYS A 21 -16.032 -19.757 14.366 1.00 0.00 H ATOM 169 HE3 LYS A 21 -17.322 -19.514 15.567 1.00 0.00 H ATOM 170 HZ1 LYS A 21 -16.080 -22.113 14.850 1.00 0.00 H ATOM 171 HZ2 LYS A 21 -17.312 -21.881 15.997 1.00 0.00 H ATOM 172 HZ3 LYS A 21 -17.609 -21.562 14.355 1.00 0.00 H ATOM 173 H LYS A 21 -12.342 -17.444 13.384 1.00 0.00 H ATOM 174 N VAL A 22 -13.560 -15.194 16.798 1.00 41.77 N ATOM 175 CA VAL A 22 -13.000 -14.481 17.957 1.00 41.69 C ATOM 176 C VAL A 22 -14.029 -14.562 19.074 1.00 43.86 C ATOM 177 O VAL A 22 -15.146 -14.040 18.936 1.00 44.54 O ATOM 178 CB VAL A 22 -12.733 -12.985 17.658 1.00 41.19 C ATOM 179 CG1 VAL A 22 -12.216 -12.272 18.921 1.00 40.10 C ATOM 180 CG2 VAL A 22 -11.756 -12.801 16.483 1.00 38.35 C ATOM 181 HA VAL A 22 -12.048 -14.942 18.222 1.00 0.00 H ATOM 182 HB VAL A 22 -13.679 -12.531 17.362 1.00 0.00 H ATOM 183 HG11 VAL A 22 -12.962 -12.350 19.712 1.00 0.00 H ATOM 184 HG12 VAL A 22 -11.288 -12.741 19.248 1.00 0.00 H ATOM 185 HG13 VAL A 22 -12.033 -11.222 18.695 1.00 0.00 H ATOM 186 HG21 VAL A 22 -10.806 -13.277 16.725 1.00 0.00 H ATOM 187 HG22 VAL A 22 -12.176 -13.259 15.588 1.00 0.00 H ATOM 188 HG23 VAL A 22 -11.597 -11.737 16.308 1.00 0.00 H ATOM 189 H VAL A 22 -14.503 -14.915 16.459 1.00 0.00 H ATOM 190 N GLY A 23 -13.671 -15.198 20.177 1.00 44.41 N ATOM 191 CA GLY A 23 -14.637 -15.433 21.243 1.00 47.94 C ATOM 192 C GLY A 23 -15.926 -16.095 20.764 1.00 50.02 C ATOM 193 O GLY A 23 -17.008 -15.798 21.268 1.00 51.79 O ATOM 194 HA3 GLY A 23 -14.889 -14.475 21.697 1.00 0.00 H ATOM 195 HA2 GLY A 23 -14.175 -16.078 21.991 1.00 0.00 H ATOM 196 H GLY A 23 -12.692 -15.533 20.285 1.00 0.00 H ATOM 197 N GLY A 24 -15.819 -16.974 19.777 1.00 50.74 N ATOM 198 CA GLY A 24 -16.974 -17.737 19.323 1.00 52.86 C ATOM 199 C GLY A 24 -17.795 -17.060 18.239 1.00 53.80 C ATOM 200 O GLY A 24 -18.733 -17.665 17.721 1.00 55.30 O ATOM 201 HA3 GLY A 24 -17.623 -17.914 20.181 1.00 0.00 H ATOM 202 HA2 GLY A 24 -16.619 -18.692 18.935 1.00 0.00 H ATOM 203 H GLY A 24 -14.896 -17.121 19.320 1.00 0.00 H ATOM 204 N GLN A 25 -17.454 -15.815 17.894 1.00 52.53 N ATOM 205 CA GLN A 25 -18.152 -15.098 16.819 1.00 53.09 C ATOM 206 C GLN A 25 -17.221 -14.781 15.638 1.00 50.82 C ATOM 207 O GLN A 25 -16.070 -14.414 15.833 1.00 48.56 O ATOM 208 CB GLN A 25 -18.815 -13.808 17.329 1.00 54.10 C ATOM 209 CG GLN A 25 -19.861 -13.992 18.455 1.00 60.53 C ATOM 210 CD GLN A 25 -21.177 -14.636 17.995 1.00 68.44 C ATOM 211 OE1 GLN A 25 -21.431 -14.790 16.796 1.00 73.39 O ATOM 212 NE2 GLN A 25 -22.023 -15.009 18.959 1.00 69.55 N ATOM 213 HA GLN A 25 -18.934 -15.769 16.464 1.00 0.00 H ATOM 214 HB2 GLN A 25 -18.029 -13.153 17.705 1.00 0.00 H ATOM 215 HB3 GLN A 25 -19.312 -13.330 16.485 1.00 0.00 H ATOM 216 HG2 GLN A 25 -19.423 -14.623 19.228 1.00 0.00 H ATOM 217 HG3 GLN A 25 -20.088 -13.012 18.874 1.00 0.00 H ATOM 218 HE22 GLN A 25 -21.771 -14.862 19.957 1.00 0.00 H ATOM 219 HE21 GLN A 25 -22.933 -15.447 18.711 1.00 0.00 H ATOM 220 H GLN A 25 -16.677 -15.343 18.398 1.00 0.00 H ATOM 221 N PRO A 26 -17.724 -14.937 14.404 1.00 50.36 N ATOM 222 CA PRO A 26 -16.933 -14.568 13.221 1.00 48.74 C ATOM 223 C PRO A 26 -16.704 -13.061 13.125 1.00 46.90 C ATOM 224 O PRO A 26 -17.637 -12.285 13.287 1.00 47.89 O ATOM 225 CB PRO A 26 -17.789 -15.061 12.043 1.00 50.71 C ATOM 226 CG PRO A 26 -19.176 -15.328 12.631 1.00 52.85 C ATOM 227 CD PRO A 26 -18.933 -15.706 14.056 1.00 51.79 C ATOM 228 HA PRO A 26 -15.935 -15.006 13.247 1.00 0.00 H ATOM 229 HD3 PRO A 26 -19.775 -15.419 14.686 1.00 0.00 H ATOM 230 HD2 PRO A 26 -18.757 -16.777 14.153 1.00 0.00 H ATOM 231 HG3 PRO A 26 -19.667 -16.142 12.098 1.00 0.00 H ATOM 232 HG2 PRO A 26 -19.795 -14.432 12.573 1.00 0.00 H ATOM 233 HB2 PRO A 26 -17.844 -14.298 11.266 1.00 0.00 H ATOM 234 HB3 PRO A 26 -17.370 -15.976 11.623 1.00 0.00 H ATOM 235 N VAL A 27 -15.461 -12.656 12.896 1.00 44.32 N ATOM 236 CA VAL A 27 -15.130 -11.254 12.686 1.00 42.37 C ATOM 237 C VAL A 27 -14.343 -11.174 11.372 1.00 42.40 C ATOM 238 O VAL A 27 -13.375 -11.902 11.168 1.00 41.50 O ATOM 239 CB VAL A 27 -14.325 -10.638 13.871 1.00 41.80 C ATOM 240 CG1 VAL A 27 -13.983 -9.151 13.601 1.00 40.10 C ATOM 241 CG2 VAL A 27 -15.090 -10.759 15.199 1.00 39.93 C ATOM 242 HA VAL A 27 -16.046 -10.665 12.632 1.00 0.00 H ATOM 243 HB VAL A 27 -13.398 -11.206 13.953 1.00 0.00 H ATOM 244 HG11 VAL A 27 -13.382 -9.077 12.695 1.00 0.00 H ATOM 245 HG12 VAL A 27 -14.906 -8.585 13.474 1.00 0.00 H ATOM 246 HG13 VAL A 27 -13.422 -8.750 14.445 1.00 0.00 H ATOM 247 HG21 VAL A 27 -16.041 -10.233 15.118 1.00 0.00 H ATOM 248 HG22 VAL A 27 -15.273 -11.811 15.417 1.00 0.00 H ATOM 249 HG23 VAL A 27 -14.496 -10.319 16.000 1.00 0.00 H ATOM 250 H VAL A 27 -14.699 -13.363 12.866 1.00 0.00 H ATOM 251 N THR A 28 -14.789 -10.306 10.473 1.00 42.19 N ATOM 252 CA THR A 28 -14.071 -10.061 9.231 1.00 42.28 C ATOM 253 C THR A 28 -13.142 -8.871 9.410 1.00 40.44 C ATOM 254 O THR A 28 -13.600 -7.760 9.643 1.00 40.23 O ATOM 255 CB THR A 28 -15.048 -9.789 8.058 1.00 43.44 C ATOM 256 OG1 THR A 28 -15.985 -10.873 7.977 1.00 46.67 O ATOM 257 CG2 THR A 28 -14.284 -9.710 6.753 1.00 44.20 C ATOM 258 HA THR A 28 -13.493 -10.953 8.989 1.00 0.00 H ATOM 259 HB THR A 28 -15.565 -8.845 8.232 1.00 0.00 H ATOM 260 HG1 THR A 28 -15.496 -11.719 7.818 1.00 0.00 H ATOM 261 HG23 THR A 28 -13.568 -8.890 6.802 1.00 0.00 H ATOM 262 HG21 THR A 28 -13.753 -10.648 6.587 1.00 0.00 H ATOM 263 HG22 THR A 28 -14.983 -9.536 5.934 1.00 0.00 H ATOM 264 H THR A 28 -15.672 -9.789 10.660 1.00 0.00 H ATOM 265 N PHE A 29 -11.842 -9.126 9.300 1.00 38.57 N ATOM 266 CA PHE A 29 -10.806 -8.130 9.525 1.00 37.39 C ATOM 267 C PHE A 29 -10.251 -7.627 8.202 1.00 38.18 C ATOM 268 O PHE A 29 -10.084 -8.409 7.261 1.00 37.88 O ATOM 269 CB PHE A 29 -9.638 -8.760 10.284 1.00 35.72 C ATOM 270 CG PHE A 29 -9.936 -9.070 11.729 1.00 35.84 C ATOM 271 CD1 PHE A 29 -9.756 -8.099 12.713 1.00 33.03 C ATOM 272 CD2 PHE A 29 -10.383 -10.333 12.104 1.00 36.16 C ATOM 273 CE1 PHE A 29 -10.017 -8.382 14.051 1.00 31.63 C ATOM 274 CE2 PHE A 29 -10.664 -10.628 13.447 1.00 35.58 C ATOM 275 CZ PHE A 29 -10.467 -9.649 14.420 1.00 32.96 C ATOM 276 HA PHE A 29 -11.252 -7.311 10.090 1.00 0.00 H ATOM 277 HB2 PHE A 29 -9.366 -9.689 9.784 1.00 0.00 H ATOM 278 HB3 PHE A 29 -8.795 -8.070 10.249 1.00 0.00 H ATOM 279 HD2 PHE A 29 -10.517 -11.104 11.345 1.00 0.00 H ATOM 280 HE2 PHE A 29 -11.033 -11.615 13.727 1.00 0.00 H ATOM 281 HZ PHE A 29 -10.665 -9.874 15.468 1.00 0.00 H ATOM 282 HE1 PHE A 29 -9.870 -7.613 14.810 1.00 0.00 H ATOM 283 HD1 PHE A 29 -9.407 -7.106 12.431 1.00 0.00 H ATOM 284 H PHE A 29 -11.550 -10.089 9.039 1.00 0.00 H ATOM 285 N LEU A 30 -9.958 -6.331 8.136 1.00 38.58 N ATOM 286 CA LEU A 30 -8.979 -5.838 7.160 1.00 39.14 C ATOM 287 C LEU A 30 -7.614 -6.243 7.685 1.00 39.10 C ATOM 288 O LEU A 30 -7.296 -6.008 8.857 1.00 38.36 O ATOM 289 CB LEU A 30 -9.050 -4.323 6.992 1.00 38.97 C ATOM 290 CG LEU A 30 -7.921 -3.637 6.208 1.00 39.75 C ATOM 291 CD1 LEU A 30 -7.895 -4.100 4.750 1.00 42.41 C ATOM 292 CD2 LEU A 30 -8.084 -2.123 6.281 1.00 40.90 C ATOM 293 HA LEU A 30 -9.182 -6.264 6.177 1.00 0.00 H ATOM 294 HB2 LEU A 30 -9.986 -4.095 6.482 1.00 0.00 H ATOM 295 HB3 LEU A 30 -9.066 -3.885 7.990 1.00 0.00 H ATOM 296 HG LEU A 30 -6.971 -3.918 6.663 1.00 0.00 H ATOM 297 HD21 LEU A 30 -9.045 -1.841 5.850 1.00 0.00 H ATOM 298 HD22 LEU A 30 -8.044 -1.804 7.323 1.00 0.00 H ATOM 299 HD23 LEU A 30 -7.279 -1.645 5.722 1.00 0.00 H ATOM 300 HD11 LEU A 30 -7.737 -5.178 4.715 1.00 0.00 H ATOM 301 HD12 LEU A 30 -8.845 -3.856 4.276 1.00 0.00 H ATOM 302 HD13 LEU A 30 -7.085 -3.595 4.224 1.00 0.00 H ATOM 303 H LEU A 30 -10.426 -5.662 8.781 1.00 0.00 H ATOM 304 N VAL A 31 -6.825 -6.876 6.823 1.00 39.58 N ATOM 305 CA VAL A 31 -5.472 -7.248 7.174 1.00 40.04 C ATOM 306 C VAL A 31 -4.596 -6.003 7.039 1.00 40.31 C ATOM 307 O VAL A 31 -4.476 -5.403 5.950 1.00 40.84 O ATOM 308 CB VAL A 31 -4.963 -8.430 6.330 1.00 40.96 C ATOM 309 CG1 VAL A 31 -3.481 -8.622 6.525 1.00 40.80 C ATOM 310 CG2 VAL A 31 -5.710 -9.699 6.711 1.00 41.72 C ATOM 311 HA VAL A 31 -5.435 -7.604 8.204 1.00 0.00 H ATOM 312 HB VAL A 31 -5.146 -8.211 5.278 1.00 0.00 H ATOM 313 HG11 VAL A 31 -2.955 -7.717 6.220 1.00 0.00 H ATOM 314 HG12 VAL A 31 -3.277 -8.825 7.576 1.00 0.00 H ATOM 315 HG13 VAL A 31 -3.142 -9.462 5.919 1.00 0.00 H ATOM 316 HG21 VAL A 31 -5.545 -9.913 7.767 1.00 0.00 H ATOM 317 HG22 VAL A 31 -6.776 -9.560 6.530 1.00 0.00 H ATOM 318 HG23 VAL A 31 -5.343 -10.530 6.109 1.00 0.00 H ATOM 319 H VAL A 31 -7.188 -7.109 5.877 1.00 0.00 H ATOM 320 N ASP A 32 -3.994 -5.612 8.157 1.00 39.27 N ATOM 321 CA ASP A 32 -3.379 -4.294 8.251 1.00 38.84 C ATOM 322 C ASP A 32 -1.963 -4.385 8.770 1.00 37.48 C ATOM 323 O ASP A 32 -1.756 -4.362 9.978 1.00 36.87 O ATOM 324 CB ASP A 32 -4.208 -3.412 9.189 1.00 38.86 C ATOM 325 CG ASP A 32 -3.791 -1.949 9.140 1.00 42.20 C ATOM 326 OD1 ASP A 32 -2.822 -1.612 8.423 1.00 44.21 O ATOM 327 OD2 ASP A 32 -4.447 -1.124 9.819 1.00 47.59 O ATOM 328 HA ASP A 32 -3.350 -3.859 7.252 1.00 0.00 H ATOM 329 HB2 ASP A 32 -5.257 -3.486 8.901 1.00 0.00 H ATOM 330 HB3 ASP A 32 -4.086 -3.776 10.209 1.00 0.00 H ATOM 331 H ASP A 32 -3.961 -6.254 8.975 1.00 0.00 H ATOM 332 N THR A 33 -0.992 -4.451 7.858 1.00 37.67 N ATOM 333 CA THR A 33 0.416 -4.552 8.241 1.00 37.64 C ATOM 334 C THR A 33 0.918 -3.268 8.894 1.00 37.69 C ATOM 335 O THR A 33 1.964 -3.260 9.553 1.00 38.27 O ATOM 336 CB THR A 33 1.307 -4.929 7.054 1.00 38.61 C ATOM 337 OG1 THR A 33 1.188 -3.926 6.035 1.00 37.94 O ATOM 338 CG2 THR A 33 0.904 -6.317 6.510 1.00 36.90 C ATOM 339 HA THR A 33 0.478 -5.354 8.976 1.00 0.00 H ATOM 340 HB THR A 33 2.347 -4.981 7.377 1.00 0.00 H ATOM 341 HG1 THR A 33 1.473 -3.051 6.400 1.00 0.00 H ATOM 342 HG23 THR A 33 1.003 -7.059 7.302 1.00 0.00 H ATOM 343 HG21 THR A 33 -0.130 -6.285 6.167 1.00 0.00 H ATOM 344 HG22 THR A 33 1.556 -6.583 5.678 1.00 0.00 H ATOM 345 H THR A 33 -1.242 -4.430 6.849 1.00 0.00 H ATOM 346 N GLY A 34 0.157 -2.189 8.724 1.00 38.17 N ATOM 347 CA GLY A 34 0.469 -0.914 9.373 1.00 39.19 C ATOM 348 C GLY A 34 -0.022 -0.790 10.814 1.00 39.90 C ATOM 349 O GLY A 34 0.304 0.187 11.502 1.00 41.23 O ATOM 350 HA3 GLY A 34 0.012 -0.115 8.789 1.00 0.00 H ATOM 351 HA2 GLY A 34 1.552 -0.789 9.372 1.00 0.00 H ATOM 352 H GLY A 34 -0.682 -2.253 8.113 1.00 0.00 H ATOM 353 N ALA A 35 -0.809 -1.759 11.277 1.00 38.61 N ATOM 354 CA ALA A 35 -1.306 -1.729 12.653 1.00 37.69 C ATOM 355 C ALA A 35 -0.409 -2.540 13.589 1.00 38.07 C ATOM 356 O ALA A 35 -0.110 -3.704 13.336 1.00 37.78 O ATOM 357 CB ALA A 35 -2.721 -2.229 12.705 1.00 37.76 C ATOM 358 HA ALA A 35 -1.287 -0.695 12.997 1.00 0.00 H ATOM 359 HB1 ALA A 35 -3.352 -1.594 12.083 1.00 0.00 H ATOM 360 HB2 ALA A 35 -2.757 -3.254 12.335 1.00 0.00 H ATOM 361 HB3 ALA A 35 -3.077 -2.201 13.735 1.00 0.00 H ATOM 362 H ALA A 35 -1.074 -2.547 10.653 1.00 0.00 H ATOM 363 N GLN A 36 0.034 -1.916 14.670 1.00 38.18 N ATOM 364 CA GLN A 36 0.878 -2.593 15.642 1.00 39.73 C ATOM 365 C GLN A 36 0.071 -3.617 16.468 1.00 39.48 C ATOM 366 O GLN A 36 0.557 -4.705 16.789 1.00 39.46 O ATOM 367 CB GLN A 36 1.542 -1.548 16.538 1.00 40.35 C ATOM 368 CG GLN A 36 2.448 -2.104 17.616 1.00 44.87 C ATOM 369 CD GLN A 36 3.168 -1.006 18.388 1.00 47.67 C ATOM 370 OE1 GLN A 36 3.152 0.166 18.003 1.00 48.60 O ATOM 371 NE2 GLN A 36 3.816 -1.390 19.472 1.00 50.34 N ATOM 372 HA GLN A 36 1.651 -3.155 15.118 1.00 0.00 H ATOM 373 HB2 GLN A 36 2.136 -0.889 15.905 1.00 0.00 H ATOM 374 HB3 GLN A 36 0.755 -0.971 17.023 1.00 0.00 H ATOM 375 HG2 GLN A 36 1.847 -2.687 18.314 1.00 0.00 H ATOM 376 HG3 GLN A 36 3.191 -2.751 17.150 1.00 0.00 H ATOM 377 HE22 GLN A 36 3.802 -2.389 19.759 1.00 0.00 H ATOM 378 HE21 GLN A 36 4.340 -0.693 20.039 1.00 0.00 H ATOM 379 H GLN A 36 -0.227 -0.922 14.827 1.00 0.00 H ATOM 380 N HIS A 37 -1.167 -3.270 16.791 1.00 39.36 N ATOM 381 CA HIS A 37 -2.059 -4.182 17.511 1.00 39.54 C ATOM 382 C HIS A 37 -3.421 -4.279 16.833 1.00 37.97 C ATOM 383 O HIS A 37 -3.850 -3.356 16.147 1.00 37.47 O ATOM 384 CB HIS A 37 -2.217 -3.736 18.959 1.00 41.23 C ATOM 385 CG HIS A 37 -1.027 -4.056 19.805 1.00 48.18 C ATOM 386 ND1 HIS A 37 -0.880 -5.265 20.451 1.00 54.95 N ATOM 387 CD2 HIS A 37 0.090 -3.339 20.085 1.00 54.28 C ATOM 388 CE1 HIS A 37 0.276 -5.276 21.098 1.00 57.65 C ATOM 389 NE2 HIS A 37 0.884 -4.121 20.890 1.00 54.47 N ATOM 390 HA HIS A 37 -1.607 -5.174 17.494 1.00 0.00 H ATOM 391 HB2 HIS A 37 -2.374 -2.658 18.975 1.00 0.00 H ATOM 392 HB3 HIS A 37 -3.088 -4.235 19.383 1.00 0.00 H ATOM 393 HD2 HIS A 37 0.316 -2.331 19.737 1.00 0.00 H ATOM 394 HE1 HIS A 37 0.661 -6.099 21.700 1.00 0.00 H ATOM 395 H HIS A 37 -1.514 -2.326 16.526 1.00 0.00 H ATOM 396 N SER A 38 -4.097 -5.399 17.049 1.00 35.49 N ATOM 397 CA SER A 38 -5.380 -5.650 16.412 1.00 34.38 C ATOM 398 C SER A 38 -6.529 -4.915 17.107 1.00 34.61 C ATOM 399 O SER A 38 -6.453 -4.592 18.308 1.00 34.15 O ATOM 400 CB SER A 38 -5.628 -7.146 16.348 1.00 33.05 C ATOM 401 OG SER A 38 -4.610 -7.743 15.560 1.00 35.22 O ATOM 402 HA SER A 38 -5.342 -5.253 15.398 1.00 0.00 H ATOM 403 HB2 SER A 38 -6.601 -7.338 15.897 1.00 0.00 H ATOM 404 HB3 SER A 38 -5.607 -7.565 17.354 1.00 0.00 H ATOM 405 HG SER A 38 -3.728 -7.565 15.973 1.00 0.00 H ATOM 406 H SER A 38 -3.700 -6.116 17.690 1.00 0.00 H ATOM 407 N VAL A 39 -7.574 -4.649 16.337 1.00 34.32 N ATOM 408 CA VAL A 39 -8.641 -3.753 16.742 1.00 35.36 C ATOM 409 C VAL A 39 -10.015 -4.347 16.445 1.00 36.40 C ATOM 410 O VAL A 39 -10.259 -4.868 15.342 1.00 36.70 O ATOM 411 CB VAL A 39 -8.500 -2.398 15.986 1.00 35.76 C ATOM 412 CG1 VAL A 39 -9.746 -1.547 16.127 1.00 35.01 C ATOM 413 CG2 VAL A 39 -7.268 -1.646 16.470 1.00 35.12 C ATOM 414 HA VAL A 39 -8.557 -3.599 17.818 1.00 0.00 H ATOM 415 HB VAL A 39 -8.378 -2.618 14.925 1.00 0.00 H ATOM 416 HG11 VAL A 39 -10.600 -2.084 15.714 1.00 0.00 H ATOM 417 HG12 VAL A 39 -9.923 -1.336 17.182 1.00 0.00 H ATOM 418 HG13 VAL A 39 -9.608 -0.611 15.586 1.00 0.00 H ATOM 419 HG21 VAL A 39 -7.360 -1.449 17.538 1.00 0.00 H ATOM 420 HG22 VAL A 39 -6.380 -2.250 16.286 1.00 0.00 H ATOM 421 HG23 VAL A 39 -7.185 -0.702 15.931 1.00 0.00 H ATOM 422 H VAL A 39 -7.632 -5.102 15.403 1.00 0.00 H ATOM 423 N LEU A 40 -10.912 -4.254 17.427 1.00 37.90 N ATOM 424 CA LEU A 40 -12.345 -4.511 17.226 1.00 39.19 C ATOM 425 C LEU A 40 -13.083 -3.170 17.293 1.00 41.18 C ATOM 426 O LEU A 40 -12.670 -2.275 18.036 1.00 39.59 O ATOM 427 CB LEU A 40 -12.874 -5.454 18.304 1.00 39.59 C ATOM 428 CG LEU A 40 -12.331 -6.879 18.384 1.00 39.22 C ATOM 429 CD1 LEU A 40 -12.879 -7.621 19.601 1.00 38.76 C ATOM 430 CD2 LEU A 40 -12.649 -7.652 17.092 1.00 40.96 C ATOM 431 HA LEU A 40 -12.506 -4.984 16.257 1.00 0.00 H ATOM 432 HB2 LEU A 40 -12.672 -4.982 19.266 1.00 0.00 H ATOM 433 HB3 LEU A 40 -13.951 -5.532 18.158 1.00 0.00 H ATOM 434 HG LEU A 40 -11.249 -6.814 18.496 1.00 0.00 H ATOM 435 HD21 LEU A 40 -13.729 -7.692 16.951 1.00 0.00 H ATOM 436 HD22 LEU A 40 -12.189 -7.145 16.244 1.00 0.00 H ATOM 437 HD23 LEU A 40 -12.254 -8.665 17.169 1.00 0.00 H ATOM 438 HD11 LEU A 40 -12.591 -7.091 20.509 1.00 0.00 H ATOM 439 HD12 LEU A 40 -13.966 -7.669 19.536 1.00 0.00 H ATOM 440 HD13 LEU A 40 -12.470 -8.631 19.624 1.00 0.00 H ATOM 441 H LEU A 40 -10.583 -3.988 18.377 1.00 0.00 H ATOM 442 N THR A 41 -14.160 -3.022 16.519 1.00 42.90 N ATOM 443 CA THR A 41 -14.801 -1.707 16.360 1.00 46.71 C ATOM 444 C THR A 41 -16.231 -1.652 16.897 1.00 49.83 C ATOM 445 O THR A 41 -16.704 -0.597 17.334 1.00 52.08 O ATOM 446 CB THR A 41 -14.819 -1.257 14.889 1.00 46.47 C ATOM 447 OG1 THR A 41 -15.586 -2.191 14.121 1.00 47.13 O ATOM 448 CG2 THR A 41 -13.403 -1.204 14.328 1.00 46.40 C ATOM 449 HA THR A 41 -14.188 -1.030 16.955 1.00 0.00 H ATOM 450 HB THR A 41 -15.262 -0.263 14.832 1.00 0.00 H ATOM 451 HG1 THR A 41 -15.600 -1.905 13.173 1.00 0.00 H ATOM 452 HG23 THR A 41 -12.811 -0.495 14.906 1.00 0.00 H ATOM 453 HG21 THR A 41 -12.951 -2.194 14.391 1.00 0.00 H ATOM 454 HG22 THR A 41 -13.438 -0.885 13.286 1.00 0.00 H ATOM 455 H THR A 41 -14.552 -3.847 16.022 1.00 0.00 H ATOM 456 N GLN A 42 -16.934 -2.771 16.828 1.00 52.16 N ATOM 457 CA GLN A 42 -18.261 -2.846 17.403 1.00 55.70 C ATOM 458 C GLN A 42 -18.479 -4.213 18.028 1.00 56.00 C ATOM 459 O GLN A 42 -17.815 -5.180 17.653 1.00 55.82 O ATOM 460 CB GLN A 42 -19.334 -2.525 16.352 1.00 57.93 C ATOM 461 CG GLN A 42 -19.432 -3.504 15.191 1.00 61.09 C ATOM 462 CD GLN A 42 -20.683 -3.275 14.340 1.00 67.68 C ATOM 463 OE1 GLN A 42 -20.939 -4.010 13.382 1.00 70.21 O ATOM 464 NE2 GLN A 42 -21.467 -2.256 14.692 1.00 69.87 N ATOM 465 HA GLN A 42 -18.348 -2.096 18.189 1.00 0.00 H ATOM 466 HB2 GLN A 42 -20.301 -2.503 16.855 1.00 0.00 H ATOM 467 HB3 GLN A 42 -19.117 -1.539 15.942 1.00 0.00 H ATOM 468 HG2 GLN A 42 -18.552 -3.387 14.559 1.00 0.00 H ATOM 469 HG3 GLN A 42 -19.460 -4.518 15.589 1.00 0.00 H ATOM 470 HE22 GLN A 42 -21.213 -1.662 15.507 1.00 0.00 H ATOM 471 HE21 GLN A 42 -22.333 -2.055 14.152 1.00 0.00 H ATOM 472 H GLN A 42 -16.529 -3.605 16.356 1.00 0.00 H ATOM 473 N ASN A 43 -19.396 -4.282 18.991 1.00 57.47 N ATOM 474 CA ASN A 43 -19.677 -5.526 19.711 1.00 58.27 C ATOM 475 C ASN A 43 -18.384 -6.199 20.220 1.00 55.53 C ATOM 476 O ASN A 43 -18.149 -7.381 19.959 1.00 56.40 O ATOM 477 CB ASN A 43 -20.503 -6.483 18.824 1.00 60.23 C ATOM 478 CG ASN A 43 -21.635 -5.768 18.082 1.00 65.08 C ATOM 479 OD1 ASN A 43 -22.399 -4.997 18.677 1.00 71.28 O ATOM 480 ND2 ASN A 43 -21.741 -6.015 16.772 1.00 68.87 N ATOM 481 HA ASN A 43 -20.269 -5.279 20.592 1.00 0.00 H ATOM 482 HB2 ASN A 43 -19.839 -6.940 18.091 1.00 0.00 H ATOM 483 HB3 ASN A 43 -20.935 -7.259 19.455 1.00 0.00 H ATOM 484 HD22 ASN A 43 -21.078 -6.670 16.311 1.00 0.00 H ATOM 485 HD21 ASN A 43 -22.487 -5.552 16.214 1.00 0.00 H ATOM 486 H ASN A 43 -19.930 -3.425 19.240 1.00 0.00 H ATOM 487 N PRO A 44 -17.533 -5.441 20.947 1.00 53.02 N ATOM 488 CA PRO A 44 -16.260 -5.995 21.415 1.00 50.25 C ATOM 489 C PRO A 44 -16.392 -7.049 22.536 1.00 49.04 C ATOM 490 O PRO A 44 -15.422 -7.755 22.828 1.00 48.19 O ATOM 491 CB PRO A 44 -15.542 -4.765 21.963 1.00 50.09 C ATOM 492 CG PRO A 44 -16.653 -3.887 22.459 1.00 51.23 C ATOM 493 CD PRO A 44 -17.760 -4.078 21.465 1.00 53.30 C ATOM 494 HA PRO A 44 -15.751 -6.523 20.609 1.00 0.00 H ATOM 495 HD3 PRO A 44 -18.734 -4.003 21.948 1.00 0.00 H ATOM 496 HD2 PRO A 44 -17.695 -3.342 20.664 1.00 0.00 H ATOM 497 HG3 PRO A 44 -16.336 -2.844 22.487 1.00 0.00 H ATOM 498 HG2 PRO A 44 -16.972 -4.195 23.455 1.00 0.00 H ATOM 499 HB2 PRO A 44 -14.871 -5.038 22.777 1.00 0.00 H ATOM 500 HB3 PRO A 44 -14.974 -4.266 21.178 1.00 0.00 H ATOM 501 N GLY A 45 -17.566 -7.135 23.161 1.00 48.46 N ATOM 502 CA GLY A 45 -17.746 -7.942 24.377 1.00 46.66 C ATOM 503 C GLY A 45 -17.116 -7.236 25.571 1.00 45.63 C ATOM 504 O GLY A 45 -16.756 -6.063 25.467 1.00 44.80 O ATOM 505 HA3 GLY A 45 -17.270 -8.913 24.240 1.00 0.00 H ATOM 506 HA2 GLY A 45 -18.811 -8.084 24.562 1.00 0.00 H ATOM 507 H GLY A 45 -18.380 -6.615 22.777 1.00 0.00 H ATOM 508 N PRO A 46 -16.953 -7.951 26.702 1.00 44.71 N ATOM 509 CA PRO A 46 -16.439 -7.371 27.947 1.00 44.14 C ATOM 510 C PRO A 46 -15.111 -6.626 27.769 1.00 42.82 C ATOM 511 O PRO A 46 -14.190 -7.109 27.082 1.00 40.32 O ATOM 512 CB PRO A 46 -16.235 -8.583 28.848 1.00 44.81 C ATOM 513 CG PRO A 46 -17.195 -9.621 28.316 1.00 46.21 C ATOM 514 CD PRO A 46 -17.312 -9.376 26.849 1.00 45.09 C ATOM 515 HA PRO A 46 -17.127 -6.624 28.343 1.00 0.00 H ATOM 516 HD3 PRO A 46 -16.622 -10.010 26.292 1.00 0.00 H ATOM 517 HD2 PRO A 46 -18.330 -9.558 26.504 1.00 0.00 H ATOM 518 HG3 PRO A 46 -18.168 -9.515 28.795 1.00 0.00 H ATOM 519 HG2 PRO A 46 -16.808 -10.623 28.501 1.00 0.00 H ATOM 520 HB2 PRO A 46 -15.207 -8.941 28.785 1.00 0.00 H ATOM 521 HB3 PRO A 46 -16.470 -8.337 29.884 1.00 0.00 H ATOM 522 N LEU A 47 -15.027 -5.460 28.404 1.00 42.43 N ATOM 523 CA LEU A 47 -13.862 -4.600 28.299 1.00 43.08 C ATOM 524 C LEU A 47 -13.065 -4.613 29.593 1.00 43.98 C ATOM 525 O LEU A 47 -13.634 -4.706 30.680 1.00 44.95 O ATOM 526 CB LEU A 47 -14.286 -3.171 27.928 1.00 41.99 C ATOM 527 CG LEU A 47 -14.920 -3.038 26.536 1.00 44.04 C ATOM 528 CD1 LEU A 47 -15.532 -1.643 26.316 1.00 46.49 C ATOM 529 CD2 LEU A 47 -13.933 -3.394 25.395 1.00 40.89 C ATOM 530 HA LEU A 47 -13.219 -4.983 27.507 1.00 0.00 H ATOM 531 HB2 LEU A 47 -15.010 -2.827 28.667 1.00 0.00 H ATOM 532 HB3 LEU A 47 -13.403 -2.533 27.963 1.00 0.00 H ATOM 533 HG LEU A 47 -15.728 -3.769 26.502 1.00 0.00 H ATOM 534 HD21 LEU A 47 -13.074 -2.725 25.437 1.00 0.00 H ATOM 535 HD22 LEU A 47 -13.598 -4.425 25.514 1.00 0.00 H ATOM 536 HD23 LEU A 47 -14.435 -3.282 24.434 1.00 0.00 H ATOM 537 HD11 LEU A 47 -16.306 -1.465 27.063 1.00 0.00 H ATOM 538 HD12 LEU A 47 -14.753 -0.887 26.411 1.00 0.00 H ATOM 539 HD13 LEU A 47 -15.969 -1.593 25.319 1.00 0.00 H ATOM 540 H LEU A 47 -15.825 -5.154 28.997 1.00 0.00 H ATOM 541 N SER A 48 -11.747 -4.543 29.478 1.00 44.51 N ATOM 542 CA SER A 48 -10.894 -4.376 30.652 1.00 46.33 C ATOM 543 C SER A 48 -10.926 -2.905 31.066 1.00 48.48 C ATOM 544 O SER A 48 -11.303 -2.038 30.267 1.00 48.53 O ATOM 545 CB SER A 48 -9.473 -4.803 30.317 1.00 46.00 C ATOM 546 OG SER A 48 -8.910 -3.930 29.356 1.00 44.39 O ATOM 547 HA SER A 48 -11.253 -4.995 31.474 1.00 0.00 H ATOM 548 HB2 SER A 48 -9.487 -5.817 29.917 1.00 0.00 H ATOM 549 HB3 SER A 48 -8.867 -4.779 31.223 1.00 0.00 H ATOM 550 HG SER A 48 -9.457 -3.952 28.531 1.00 0.00 H ATOM 551 H SER A 48 -11.312 -4.608 28.536 1.00 0.00 H ATOM 552 N ASP A 49 -10.527 -2.606 32.300 1.00 51.60 N ATOM 553 CA ASP A 49 -10.335 -1.202 32.687 1.00 54.24 C ATOM 554 C ASP A 49 -8.931 -0.669 32.350 1.00 53.98 C ATOM 555 O ASP A 49 -8.550 0.399 32.824 1.00 55.41 O ATOM 556 CB ASP A 49 -10.663 -0.967 34.179 1.00 57.04 C ATOM 557 CG ASP A 49 -12.154 -0.642 34.431 1.00 61.49 C ATOM 558 OD1 ASP A 49 -12.836 -0.052 33.542 1.00 65.57 O ATOM 559 OD2 ASP A 49 -12.644 -0.973 35.543 1.00 68.45 O ATOM 560 HA ASP A 49 -11.044 -0.633 32.086 1.00 0.00 H ATOM 561 HB2 ASP A 49 -10.405 -1.867 34.737 1.00 0.00 H ATOM 562 HB3 ASP A 49 -10.061 -0.133 34.539 1.00 0.00 H ATOM 563 H ASP A 49 -10.351 -3.365 32.989 1.00 0.00 H ATOM 564 N LYS A 50 -8.165 -1.406 31.546 1.00 52.82 N ATOM 565 CA LYS A 50 -6.854 -0.935 31.085 1.00 52.16 C ATOM 566 C LYS A 50 -6.980 -0.249 29.727 1.00 50.01 C ATOM 567 O LYS A 50 -7.744 -0.680 28.869 1.00 48.34 O ATOM 568 CB LYS A 50 -5.835 -2.074 31.010 1.00 52.16 C ATOM 569 CG LYS A 50 -5.100 -2.376 32.328 1.00 58.22 C ATOM 570 CD LYS A 50 -3.893 -1.436 32.530 1.00 65.75 C ATOM 571 CE LYS A 50 -2.740 -2.102 33.297 1.00 70.32 C ATOM 572 NZ LYS A 50 -3.120 -2.557 34.682 1.00 73.43 N ATOM 573 HA LYS A 50 -6.491 -0.213 31.817 1.00 0.00 H ATOM 574 HB2 LYS A 50 -6.360 -2.978 30.700 1.00 0.00 H ATOM 575 HB3 LYS A 50 -5.090 -1.813 30.259 1.00 0.00 H ATOM 576 HG2 LYS A 50 -5.794 -2.246 33.159 1.00 0.00 H ATOM 577 HG3 LYS A 50 -4.747 -3.407 32.309 1.00 0.00 H ATOM 578 HD2 LYS A 50 -3.527 -1.124 31.552 1.00 0.00 H ATOM 579 HD3 LYS A 50 -4.223 -0.560 33.089 1.00 0.00 H ATOM 580 HE2 LYS A 50 -1.923 -1.386 33.381 1.00 0.00 H ATOM 581 HE3 LYS A 50 -2.404 -2.970 32.729 1.00 0.00 H ATOM 582 HZ1 LYS A 50 -3.433 -1.738 35.241 1.00 0.00 H ATOM 583 HZ2 LYS A 50 -3.893 -3.250 34.618 1.00 0.00 H ATOM 584 HZ3 LYS A 50 -2.296 -2.996 35.140 1.00 0.00 H ATOM 585 H LYS A 50 -8.505 -2.339 31.237 1.00 0.00 H ATOM 586 N SER A 51 -6.236 0.833 29.550 1.00 49.17 N ATOM 587 CA SER A 51 -6.295 1.584 28.308 1.00 48.07 C ATOM 588 C SER A 51 -4.921 1.768 27.687 1.00 46.65 C ATOM 589 O SER A 51 -3.887 1.466 28.301 1.00 45.75 O ATOM 590 CB SER A 51 -6.992 2.922 28.519 1.00 48.56 C ATOM 591 OG SER A 51 -6.406 3.638 29.587 1.00 53.12 O ATOM 592 HA SER A 51 -6.885 1.001 27.601 1.00 0.00 H ATOM 593 HB2 SER A 51 -8.044 2.744 28.744 1.00 0.00 H ATOM 594 HB3 SER A 51 -6.912 3.513 27.607 1.00 0.00 H ATOM 595 HG SER A 51 -6.877 4.501 29.702 1.00 0.00 H ATOM 596 H SER A 51 -5.601 1.149 30.311 1.00 0.00 H ATOM 597 N ALA A 52 -4.919 2.263 26.456 1.00 45.09 N ATOM 598 CA ALA A 52 -3.684 2.560 25.771 1.00 44.07 C ATOM 599 C ALA A 52 -3.866 3.759 24.856 1.00 44.00 C ATOM 600 O ALA A 52 -4.972 4.014 24.340 1.00 42.26 O ATOM 601 CB ALA A 52 -3.199 1.342 24.982 1.00 43.96 C ATOM 602 HA ALA A 52 -2.924 2.805 26.513 1.00 0.00 H ATOM 603 HB1 ALA A 52 -3.033 0.510 25.666 1.00 0.00 H ATOM 604 HB2 ALA A 52 -3.953 1.063 24.246 1.00 0.00 H ATOM 605 HB3 ALA A 52 -2.267 1.588 24.473 1.00 0.00 H ATOM 606 H ALA A 52 -5.824 2.440 25.976 1.00 0.00 H ATOM 607 N TRP A 53 -2.771 4.496 24.678 1.00 43.81 N ATOM 608 CA TRP A 53 -2.726 5.583 23.712 1.00 44.36 C ATOM 609 C TRP A 53 -2.536 5.025 22.313 1.00 43.15 C ATOM 610 O TRP A 53 -1.535 4.346 22.039 1.00 42.86 O ATOM 611 CB TRP A 53 -1.583 6.555 24.004 1.00 45.75 C ATOM 612 CG TRP A 53 -1.726 7.755 23.130 1.00 46.63 C ATOM 613 CD1 TRP A 53 -1.082 7.998 21.959 1.00 46.91 C ATOM 614 CD2 TRP A 53 -2.627 8.848 23.334 1.00 47.52 C ATOM 615 NE1 TRP A 53 -1.511 9.192 21.425 1.00 48.84 N ATOM 616 CE2 TRP A 53 -2.460 9.732 22.250 1.00 48.78 C ATOM 617 CE3 TRP A 53 -3.560 9.166 24.332 1.00 49.62 C ATOM 618 CZ2 TRP A 53 -3.187 10.924 22.135 1.00 51.23 C ATOM 619 CZ3 TRP A 53 -4.290 10.353 24.215 1.00 49.89 C ATOM 620 CH2 TRP A 53 -4.095 11.213 23.129 1.00 50.91 C ATOM 621 HA TRP A 53 -3.671 6.121 23.787 1.00 0.00 H ATOM 622 HB2 TRP A 53 -1.620 6.859 25.050 1.00 0.00 H ATOM 623 HB3 TRP A 53 -0.629 6.068 23.802 1.00 0.00 H ATOM 624 HE1 TRP A 53 -1.169 9.615 20.538 1.00 0.00 H ATOM 625 HD1 TRP A 53 -0.335 7.344 21.509 1.00 0.00 H ATOM 626 HZ2 TRP A 53 -3.039 11.597 21.291 1.00 0.00 H ATOM 627 HH2 TRP A 53 -4.676 12.134 23.068 1.00 0.00 H ATOM 628 HZ3 TRP A 53 -5.021 10.612 24.981 1.00 0.00 H ATOM 629 HE3 TRP A 53 -3.713 8.501 25.182 1.00 0.00 H ATOM 630 H TRP A 53 -1.924 4.289 25.245 1.00 0.00 H ATOM 631 N VAL A 54 -3.482 5.334 21.431 1.00 41.85 N ATOM 632 CA VAL A 54 -3.428 4.872 20.062 1.00 41.07 C ATOM 633 C VAL A 54 -3.114 6.030 19.118 1.00 41.68 C ATOM 634 O VAL A 54 -3.884 6.976 19.030 1.00 42.10 O ATOM 635 CB VAL A 54 -4.760 4.206 19.664 1.00 41.31 C ATOM 636 CG1 VAL A 54 -4.768 3.842 18.180 1.00 41.06 C ATOM 637 CG2 VAL A 54 -5.013 2.945 20.542 1.00 40.46 C ATOM 638 HA VAL A 54 -2.631 4.132 19.982 1.00 0.00 H ATOM 639 HB VAL A 54 -5.566 4.919 19.837 1.00 0.00 H ATOM 640 HG11 VAL A 54 -4.637 4.746 17.585 1.00 0.00 H ATOM 641 HG12 VAL A 54 -3.954 3.148 17.973 1.00 0.00 H ATOM 642 HG13 VAL A 54 -5.719 3.374 17.927 1.00 0.00 H ATOM 643 HG21 VAL A 54 -4.200 2.234 20.397 1.00 0.00 H ATOM 644 HG22 VAL A 54 -5.059 3.237 21.591 1.00 0.00 H ATOM 645 HG23 VAL A 54 -5.957 2.484 20.251 1.00 0.00 H ATOM 646 H VAL A 54 -4.283 5.924 21.734 1.00 0.00 H ATOM 647 N GLN A 55 -1.985 5.963 18.418 1.00 41.22 N ATOM 648 CA GLN A 55 -1.682 6.955 17.400 1.00 41.95 C ATOM 649 C GLN A 55 -2.128 6.466 16.027 1.00 41.00 C ATOM 650 O GLN A 55 -1.631 5.447 15.526 1.00 40.39 O ATOM 651 CB GLN A 55 -0.194 7.309 17.355 1.00 42.50 C ATOM 652 CG GLN A 55 0.099 8.333 16.250 1.00 44.37 C ATOM 653 CD GLN A 55 1.559 8.722 16.138 1.00 45.75 C ATOM 654 OE1 GLN A 55 1.878 9.813 15.678 1.00 46.82 O ATOM 655 NE2 GLN A 55 2.447 7.839 16.555 1.00 43.37 N ATOM 656 HA GLN A 55 -2.232 7.857 17.668 1.00 0.00 H ATOM 657 HB2 GLN A 55 0.101 7.729 18.317 1.00 0.00 H ATOM 658 HB3 GLN A 55 0.382 6.404 17.163 1.00 0.00 H ATOM 659 HG2 GLN A 55 -0.216 7.908 15.297 1.00 0.00 H ATOM 660 HG3 GLN A 55 -0.481 9.233 16.455 1.00 0.00 H ATOM 661 HE22 GLN A 55 2.131 6.925 16.938 1.00 0.00 H ATOM 662 HE21 GLN A 55 3.462 8.057 16.500 1.00 0.00 H ATOM 663 H GLN A 55 -1.311 5.192 18.601 1.00 0.00 H ATOM 664 N GLY A 56 -3.045 7.211 15.421 1.00 40.37 N ATOM 665 CA GLY A 56 -3.487 6.938 14.064 1.00 40.50 C ATOM 666 C GLY A 56 -2.806 7.869 13.068 1.00 41.49 C ATOM 667 O GLY A 56 -1.925 8.672 13.427 1.00 40.72 O ATOM 668 HA3 GLY A 56 -4.566 7.081 14.005 1.00 0.00 H ATOM 669 HA2 GLY A 56 -3.244 5.906 13.811 1.00 0.00 H ATOM 670 H GLY A 56 -3.460 8.015 15.934 1.00 0.00 H ATOM 671 N ALA A 57 -3.225 7.763 11.814 1.00 41.95 N ATOM 672 CA ALA A 57 -2.653 8.573 10.731 1.00 43.46 C ATOM 673 C ALA A 57 -2.988 10.046 10.897 1.00 44.44 C ATOM 674 O ALA A 57 -2.216 10.916 10.466 1.00 44.95 O ATOM 675 CB ALA A 57 -3.135 8.064 9.372 1.00 42.69 C ATOM 676 HA ALA A 57 -1.569 8.474 10.780 1.00 0.00 H ATOM 677 HB1 ALA A 57 -2.824 7.027 9.243 1.00 0.00 H ATOM 678 HB2 ALA A 57 -4.222 8.127 9.327 1.00 0.00 H ATOM 679 HB3 ALA A 57 -2.701 8.676 8.581 1.00 0.00 H ATOM 680 H ALA A 57 -3.982 7.085 11.591 1.00 0.00 H ATOM 681 N THR A 58 -4.121 10.327 11.547 1.00 45.17 N ATOM 682 CA THR A 58 -4.667 11.690 11.582 1.00 47.03 C ATOM 683 C THR A 58 -4.733 12.305 12.973 1.00 47.05 C ATOM 684 O THR A 58 -5.087 13.472 13.114 1.00 48.75 O ATOM 685 CB THR A 58 -6.093 11.775 10.941 1.00 47.55 C ATOM 686 OG1 THR A 58 -7.067 11.292 11.870 1.00 50.46 O ATOM 687 CG2 THR A 58 -6.174 10.950 9.707 1.00 46.78 C ATOM 688 HA THR A 58 -3.953 12.266 10.993 1.00 0.00 H ATOM 689 HB THR A 58 -6.286 12.818 10.689 1.00 0.00 H ATOM 690 HG1 THR A 58 -6.865 10.350 12.099 1.00 0.00 H ATOM 691 HG23 THR A 58 -5.437 11.304 8.986 1.00 0.00 H ATOM 692 HG21 THR A 58 -5.971 9.908 9.954 1.00 0.00 H ATOM 693 HG22 THR A 58 -7.173 11.035 9.280 1.00 0.00 H ATOM 694 H THR A 58 -4.628 9.564 12.039 1.00 0.00 H ATOM 695 N GLY A 59 -4.398 11.529 13.994 1.00 45.87 N ATOM 696 CA GLY A 59 -4.435 12.020 15.369 1.00 46.00 C ATOM 697 C GLY A 59 -4.213 10.866 16.330 1.00 45.09 C ATOM 698 O GLY A 59 -3.739 9.813 15.924 1.00 44.08 O ATOM 699 HA3 GLY A 59 -5.406 12.474 15.566 1.00 0.00 H ATOM 700 HA2 GLY A 59 -3.652 12.765 15.509 1.00 0.00 H ATOM 701 H GLY A 59 -4.102 10.549 13.812 1.00 0.00 H ATOM 702 N GLY A 60 -4.575 11.064 17.592 1.00 45.28 N ATOM 703 CA GLY A 60 -4.318 10.089 18.641 1.00 45.09 C ATOM 704 C GLY A 60 -5.403 10.169 19.685 1.00 46.20 C ATOM 705 O GLY A 60 -5.942 11.253 19.940 1.00 46.09 O ATOM 706 HA3 GLY A 60 -3.354 10.299 19.103 1.00 0.00 H ATOM 707 HA2 GLY A 60 -4.302 9.088 18.210 1.00 0.00 H ATOM 708 H GLY A 60 -5.061 11.950 17.840 1.00 0.00 H ATOM 709 N LYS A 61 -5.727 9.031 20.295 1.00 44.74 N ATOM 710 CA LYS A 61 -6.749 9.001 21.340 1.00 46.45 C ATOM 711 C LYS A 61 -6.538 7.811 22.267 1.00 44.88 C ATOM 712 O LYS A 61 -5.915 6.831 21.885 1.00 43.38 O ATOM 713 CB LYS A 61 -8.128 8.914 20.704 1.00 47.10 C ATOM 714 CG LYS A 61 -9.137 9.828 21.328 1.00 54.60 C ATOM 715 CD LYS A 61 -10.428 9.822 20.527 1.00 60.60 C ATOM 716 CE LYS A 61 -11.433 8.841 21.127 1.00 64.48 C ATOM 717 NZ LYS A 61 -12.134 9.402 22.329 1.00 69.86 N ATOM 718 HA LYS A 61 -6.672 9.916 21.927 1.00 0.00 H ATOM 719 HB2 LYS A 61 -8.037 9.170 19.648 1.00 0.00 H ATOM 720 HB3 LYS A 61 -8.487 7.889 20.798 1.00 0.00 H ATOM 721 HG2 LYS A 61 -9.344 9.494 22.345 1.00 0.00 H ATOM 722 HG3 LYS A 61 -8.736 10.841 21.354 1.00 0.00 H ATOM 723 HD2 LYS A 61 -10.858 10.824 20.534 1.00 0.00 H ATOM 724 HD3 LYS A 61 -10.211 9.528 19.500 1.00 0.00 H ATOM 725 HE2 LYS A 61 -10.904 7.934 21.421 1.00 0.00 H ATOM 726 HE3 LYS A 61 -12.178 8.596 20.370 1.00 0.00 H ATOM 727 HZ1 LYS A 61 -11.433 9.632 23.062 1.00 0.00 H ATOM 728 HZ2 LYS A 61 -12.649 10.264 22.058 1.00 0.00 H ATOM 729 HZ3 LYS A 61 -12.804 8.698 22.698 1.00 0.00 H ATOM 730 H LYS A 61 -5.246 8.150 20.024 1.00 0.00 H ATOM 731 N ARG A 62 -7.071 7.901 23.480 1.00 45.39 N ATOM 732 CA ARG A 62 -6.978 6.823 24.459 1.00 45.20 C ATOM 733 C ARG A 62 -8.119 5.798 24.259 1.00 43.77 C ATOM 734 O ARG A 62 -9.272 6.185 24.120 1.00 43.48 O ATOM 735 CB ARG A 62 -7.007 7.419 25.868 1.00 46.71 C ATOM 736 CG ARG A 62 -6.552 6.474 26.963 1.00 51.75 C ATOM 737 CD ARG A 62 -5.705 7.208 28.024 1.00 59.08 C ATOM 738 NE ARG A 62 -4.777 6.263 28.647 1.00 64.76 N ATOM 739 CZ ARG A 62 -3.474 6.166 28.378 1.00 64.84 C ATOM 740 NH1 ARG A 62 -2.887 6.985 27.525 1.00 63.79 N ATOM 741 NH2 ARG A 62 -2.747 5.245 28.989 1.00 67.96 N ATOM 742 HA ARG A 62 -6.038 6.289 24.321 1.00 0.00 H ATOM 743 HB2 ARG A 62 -6.356 8.293 25.881 1.00 0.00 H ATOM 744 HB3 ARG A 62 -8.030 7.726 26.087 1.00 0.00 H ATOM 745 HG2 ARG A 62 -7.428 6.042 27.446 1.00 0.00 H ATOM 746 HG3 ARG A 62 -5.953 5.678 26.519 1.00 0.00 H ATOM 747 HD2 ARG A 62 -6.361 7.629 28.786 1.00 0.00 H ATOM 748 HD3 ARG A 62 -5.142 8.011 27.548 1.00 0.00 H ATOM 749 HE ARG A 62 -5.166 5.613 29.359 1.00 0.00 H ATOM 750 HH12 ARG A 62 -1.870 6.891 27.330 1.00 0.00 H ATOM 751 HH11 ARG A 62 -3.442 7.724 27.048 1.00 0.00 H ATOM 752 HH22 ARG A 62 -1.731 5.164 28.784 1.00 0.00 H ATOM 753 HH21 ARG A 62 -3.192 4.602 29.675 1.00 0.00 H ATOM 754 H ARG A 62 -7.574 8.773 23.742 1.00 0.00 H ATOM 755 N TYR A 63 -7.794 4.505 24.208 1.00 41.97 N ATOM 756 CA TYR A 63 -8.838 3.461 24.076 1.00 41.68 C ATOM 757 C TYR A 63 -8.632 2.310 25.048 1.00 41.74 C ATOM 758 O TYR A 63 -7.529 2.113 25.548 1.00 43.20 O ATOM 759 CB TYR A 63 -8.896 2.895 22.659 1.00 39.97 C ATOM 760 CG TYR A 63 -9.272 3.898 21.604 1.00 40.32 C ATOM 761 CD1 TYR A 63 -10.610 4.233 21.361 1.00 40.06 C ATOM 762 CD2 TYR A 63 -8.281 4.519 20.843 1.00 40.97 C ATOM 763 CE1 TYR A 63 -10.946 5.182 20.372 1.00 41.65 C ATOM 764 CE2 TYR A 63 -8.596 5.454 19.854 1.00 42.65 C ATOM 765 CZ TYR A 63 -9.923 5.779 19.623 1.00 43.21 C ATOM 766 OH TYR A 63 -10.183 6.702 18.640 1.00 45.17 O ATOM 767 HA TYR A 63 -9.779 3.958 24.310 1.00 0.00 H ATOM 768 HB3 TYR A 63 -9.632 2.091 22.643 1.00 0.00 H ATOM 769 HB2 TYR A 63 -7.914 2.492 22.412 1.00 0.00 H ATOM 770 HD2 TYR A 63 -7.236 4.269 21.025 1.00 0.00 H ATOM 771 HE2 TYR A 63 -7.805 5.924 19.269 1.00 0.00 H ATOM 772 HE1 TYR A 63 -11.988 5.447 20.193 1.00 0.00 H ATOM 773 HD1 TYR A 63 -11.400 3.756 21.942 1.00 0.00 H ATOM 774 HH TYR A 63 -11.160 6.846 18.574 1.00 0.00 H ATOM 775 H TYR A 63 -6.794 4.226 24.262 1.00 0.00 H ATOM 776 N ARG A 64 -9.687 1.535 25.290 1.00 40.73 N ATOM 777 CA ARG A 64 -9.621 0.425 26.232 1.00 40.77 C ATOM 778 C ARG A 64 -9.217 -0.880 25.533 1.00 38.88 C ATOM 779 O ARG A 64 -9.471 -1.060 24.336 1.00 37.80 O ATOM 780 CB ARG A 64 -10.968 0.266 26.947 1.00 42.43 C ATOM 781 CG ARG A 64 -11.212 1.337 28.021 1.00 46.49 C ATOM 782 CD ARG A 64 -12.629 1.293 28.554 1.00 53.11 C ATOM 783 NE ARG A 64 -12.824 0.211 29.518 1.00 57.31 N ATOM 784 CZ ARG A 64 -13.996 -0.098 30.085 1.00 58.65 C ATOM 785 NH1 ARG A 64 -15.091 0.592 29.782 1.00 61.11 N ATOM 786 NH2 ARG A 64 -14.080 -1.106 30.953 1.00 55.82 N ATOM 787 HA ARG A 64 -8.852 0.649 26.972 1.00 0.00 H ATOM 788 HB2 ARG A 64 -11.764 0.331 26.205 1.00 0.00 H ATOM 789 HB3 ARG A 64 -10.995 -0.714 27.422 1.00 0.00 H ATOM 790 HG2 ARG A 64 -10.520 1.172 28.847 1.00 0.00 H ATOM 791 HG3 ARG A 64 -11.029 2.320 27.586 1.00 0.00 H ATOM 792 HD2 ARG A 64 -13.314 1.147 27.719 1.00 0.00 H ATOM 793 HD3 ARG A 64 -12.850 2.242 29.042 1.00 0.00 H ATOM 794 HE ARG A 64 -11.994 -0.358 29.781 1.00 0.00 H ATOM 795 HH12 ARG A 64 -15.999 0.347 30.226 1.00 0.00 H ATOM 796 HH11 ARG A 64 -15.040 1.376 29.101 1.00 0.00 H ATOM 797 HH22 ARG A 64 -14.994 -1.341 31.390 1.00 0.00 H ATOM 798 HH21 ARG A 64 -13.232 -1.658 31.193 1.00 0.00 H ATOM 799 H ARG A 64 -10.581 1.727 24.794 1.00 0.00 H ATOM 800 N TRP A 65 -8.556 -1.768 26.273 1.00 37.85 N ATOM 801 CA TRP A 65 -8.368 -3.149 25.834 1.00 36.26 C ATOM 802 C TRP A 65 -9.622 -3.983 26.155 1.00 36.68 C ATOM 803 O TRP A 65 -10.330 -3.713 27.147 1.00 35.92 O ATOM 804 CB TRP A 65 -7.179 -3.769 26.563 1.00 37.05 C ATOM 805 CG TRP A 65 -5.868 -3.188 26.211 1.00 38.30 C ATOM 806 CD1 TRP A 65 -5.169 -2.248 26.912 1.00 41.77 C ATOM 807 CD2 TRP A 65 -5.076 -3.514 25.071 1.00 39.50 C ATOM 808 NE1 TRP A 65 -3.989 -1.963 26.272 1.00 42.22 N ATOM 809 CE2 TRP A 65 -3.905 -2.727 25.138 1.00 42.52 C ATOM 810 CE3 TRP A 65 -5.244 -4.393 23.994 1.00 40.93 C ATOM 811 CZ2 TRP A 65 -2.902 -2.787 24.165 1.00 43.22 C ATOM 812 CZ3 TRP A 65 -4.246 -4.458 23.027 1.00 42.96 C ATOM 813 CH2 TRP A 65 -3.088 -3.653 23.120 1.00 42.84 C ATOM 814 HA TRP A 65 -8.189 -3.146 24.759 1.00 0.00 H ATOM 815 HB2 TRP A 65 -7.332 -3.639 27.634 1.00 0.00 H ATOM 816 HB3 TRP A 65 -7.153 -4.833 26.328 1.00 0.00 H ATOM 817 HE1 TRP A 65 -3.275 -1.279 26.595 1.00 0.00 H ATOM 818 HD1 TRP A 65 -5.500 -1.790 27.844 1.00 0.00 H ATOM 819 HZ2 TRP A 65 -2.007 -2.169 24.236 1.00 0.00 H ATOM 820 HH2 TRP A 65 -2.326 -3.723 22.343 1.00 0.00 H ATOM 821 HZ3 TRP A 65 -4.359 -5.140 22.185 1.00 0.00 H ATOM 822 HE3 TRP A 65 -6.137 -5.013 23.915 1.00 0.00 H ATOM 823 H TRP A 65 -8.163 -1.470 27.189 1.00 0.00 H ATOM 824 N THR A 66 -9.872 -5.021 25.355 1.00 35.39 N ATOM 825 CA THR A 66 -10.912 -5.993 25.680 1.00 36.07 C ATOM 826 C THR A 66 -10.316 -6.933 26.728 1.00 36.98 C ATOM 827 O THR A 66 -9.106 -6.905 26.961 1.00 36.26 O ATOM 828 CB THR A 66 -11.356 -6.840 24.454 1.00 36.25 C ATOM 829 OG1 THR A 66 -10.236 -7.605 23.957 1.00 36.70 O ATOM 830 CG2 THR A 66 -11.932 -5.956 23.348 1.00 33.60 C ATOM 831 HA THR A 66 -11.795 -5.459 26.032 1.00 0.00 H ATOM 832 HB THR A 66 -12.143 -7.523 24.775 1.00 0.00 H ATOM 833 HG1 THR A 66 -9.907 -8.208 24.670 1.00 0.00 H ATOM 834 HG23 THR A 66 -12.775 -5.387 23.741 1.00 0.00 H ATOM 835 HG21 THR A 66 -11.162 -5.270 22.995 1.00 0.00 H ATOM 836 HG22 THR A 66 -12.269 -6.583 22.522 1.00 0.00 H ATOM 837 H THR A 66 -9.316 -5.140 24.484 1.00 0.00 H ATOM 838 N THR A 67 -11.158 -7.740 27.367 1.00 37.40 N ATOM 839 CA THR A 67 -10.667 -8.887 28.137 1.00 38.52 C ATOM 840 C THR A 67 -10.160 -9.929 27.131 1.00 38.63 C ATOM 841 O THR A 67 -10.304 -9.734 25.907 1.00 39.29 O ATOM 842 CB THR A 67 -11.762 -9.464 29.049 1.00 39.57 C ATOM 843 OG1 THR A 67 -12.907 -9.818 28.261 1.00 37.26 O ATOM 844 CG2 THR A 67 -12.178 -8.409 30.097 1.00 40.79 C ATOM 845 HA THR A 67 -9.858 -8.580 28.800 1.00 0.00 H ATOM 846 HB THR A 67 -11.375 -10.349 29.555 1.00 0.00 H ATOM 847 HG1 THR A 67 -13.252 -9.012 27.801 1.00 0.00 H ATOM 848 HG23 THR A 67 -11.312 -8.136 30.699 1.00 0.00 H ATOM 849 HG21 THR A 67 -12.562 -7.525 29.588 1.00 0.00 H ATOM 850 HG22 THR A 67 -12.953 -8.824 30.741 1.00 0.00 H ATOM 851 H THR A 67 -12.180 -7.555 27.320 1.00 0.00 H ATOM 852 N ASP A 68 -9.565 -11.014 27.618 1.00 38.45 N ATOM 853 CA ASP A 68 -9.015 -12.047 26.730 1.00 38.63 C ATOM 854 C ASP A 68 -10.084 -12.735 25.898 1.00 38.49 C ATOM 855 O ASP A 68 -11.171 -13.040 26.402 1.00 39.01 O ATOM 856 CB ASP A 68 -8.289 -13.126 27.530 1.00 39.96 C ATOM 857 CG ASP A 68 -7.048 -12.611 28.244 1.00 43.21 C ATOM 858 OD1 ASP A 68 -6.518 -11.537 27.850 1.00 43.24 O ATOM 859 OD2 ASP A 68 -6.602 -13.300 29.201 1.00 43.28 O ATOM 860 HA ASP A 68 -8.326 -11.525 26.066 1.00 0.00 H ATOM 861 HB2 ASP A 68 -8.976 -13.526 28.275 1.00 0.00 H ATOM 862 HB3 ASP A 68 -7.991 -13.922 26.848 1.00 0.00 H ATOM 863 H ASP A 68 -9.487 -11.134 28.648 1.00 0.00 H ATOM 864 N ARG A 69 -9.758 -12.973 24.629 1.00 37.20 N ATOM 865 CA ARG A 69 -10.592 -13.719 23.700 1.00 37.56 C ATOM 866 C ARG A 69 -9.812 -14.910 23.151 1.00 38.80 C ATOM 867 O ARG A 69 -8.610 -14.799 22.888 1.00 38.42 O ATOM 868 CB ARG A 69 -10.935 -12.838 22.497 1.00 37.73 C ATOM 869 CG ARG A 69 -11.723 -11.575 22.819 1.00 36.90 C ATOM 870 CD ARG A 69 -13.181 -11.902 23.118 1.00 38.09 C ATOM 871 NE ARG A 69 -13.859 -10.680 23.538 1.00 41.99 N ATOM 872 CZ ARG A 69 -13.823 -10.193 24.770 1.00 42.39 C ATOM 873 NH1 ARG A 69 -13.165 -10.839 25.723 1.00 44.74 N ATOM 874 NH2 ARG A 69 -14.451 -9.065 25.050 1.00 41.24 N ATOM 875 HA ARG A 69 -11.489 -14.040 24.229 1.00 0.00 H ATOM 876 HB2 ARG A 69 -10.001 -12.540 22.020 1.00 0.00 H ATOM 877 HB3 ARG A 69 -11.524 -13.434 21.800 1.00 0.00 H ATOM 878 HG2 ARG A 69 -11.280 -11.091 23.689 1.00 0.00 H ATOM 879 HG3 ARG A 69 -11.677 -10.899 21.966 1.00 0.00 H ATOM 880 HD2 ARG A 69 -13.235 -12.644 23.915 1.00 0.00 H ATOM 881 HD3 ARG A 69 -13.659 -12.298 22.222 1.00 0.00 H ATOM 882 HE ARG A 69 -14.406 -10.157 22.824 1.00 0.00 H ATOM 883 HH12 ARG A 69 -13.138 -10.454 26.689 1.00 0.00 H ATOM 884 HH11 ARG A 69 -12.675 -11.730 25.504 1.00 0.00 H ATOM 885 HH22 ARG A 69 -14.424 -8.681 26.016 1.00 0.00 H ATOM 886 HH21 ARG A 69 -14.972 -8.561 24.304 1.00 0.00 H ATOM 887 H ARG A 69 -8.851 -12.602 24.281 1.00 0.00 H ATOM 888 N LYS A 70 -10.492 -16.034 22.932 1.00 39.21 N ATOM 889 CA LYS A 70 -9.906 -17.112 22.143 1.00 39.90 C ATOM 890 C LYS A 70 -10.038 -16.781 20.634 1.00 39.42 C ATOM 891 O LYS A 70 -11.126 -16.449 20.135 1.00 39.44 O ATOM 892 CB LYS A 70 -10.545 -18.460 22.507 1.00 41.47 C ATOM 893 CG LYS A 70 -9.534 -19.628 22.669 1.00 45.94 C ATOM 894 CD LYS A 70 -8.627 -19.450 23.896 1.00 49.93 C ATOM 895 CE LYS A 70 -7.641 -20.600 24.079 1.00 54.53 C ATOM 896 NZ LYS A 70 -6.218 -20.139 24.361 1.00 52.96 N ATOM 897 HA LYS A 70 -8.844 -17.200 22.373 1.00 0.00 H ATOM 898 HB2 LYS A 70 -11.081 -18.340 23.448 1.00 0.00 H ATOM 899 HB3 LYS A 70 -11.251 -18.726 21.720 1.00 0.00 H ATOM 900 HG2 LYS A 70 -10.089 -20.560 22.776 1.00 0.00 H ATOM 901 HG3 LYS A 70 -8.910 -19.678 21.776 1.00 0.00 H ATOM 902 HD2 LYS A 70 -8.064 -18.524 23.781 1.00 0.00 H ATOM 903 HD3 LYS A 70 -9.254 -19.384 24.785 1.00 0.00 H ATOM 904 HE2 LYS A 70 -7.636 -21.199 23.168 1.00 0.00 H ATOM 905 HE3 LYS A 70 -7.977 -21.214 24.915 1.00 0.00 H ATOM 906 HZ1 LYS A 70 -5.879 -19.560 23.567 1.00 0.00 H ATOM 907 HZ2 LYS A 70 -6.205 -19.574 25.234 1.00 0.00 H ATOM 908 HZ3 LYS A 70 -5.602 -20.969 24.474 1.00 0.00 H ATOM 909 H LYS A 70 -11.448 -16.144 23.326 1.00 0.00 H ATOM 910 N VAL A 71 -8.918 -16.840 19.924 1.00 38.68 N ATOM 911 CA VAL A 71 -8.860 -16.479 18.514 1.00 38.94 C ATOM 912 C VAL A 71 -8.469 -17.722 17.717 1.00 40.43 C ATOM 913 O VAL A 71 -7.395 -18.280 17.944 1.00 40.82 O ATOM 914 CB VAL A 71 -7.837 -15.355 18.265 1.00 37.84 C ATOM 915 CG1 VAL A 71 -7.779 -14.984 16.772 1.00 37.72 C ATOM 916 CG2 VAL A 71 -8.176 -14.116 19.101 1.00 35.88 C ATOM 917 HA VAL A 71 -9.836 -16.111 18.198 1.00 0.00 H ATOM 918 HB VAL A 71 -6.857 -15.724 18.568 1.00 0.00 H ATOM 919 HG11 VAL A 71 -7.486 -15.859 16.193 1.00 0.00 H ATOM 920 HG12 VAL A 71 -8.761 -14.643 16.445 1.00 0.00 H ATOM 921 HG13 VAL A 71 -7.049 -14.188 16.625 1.00 0.00 H ATOM 922 HG21 VAL A 71 -9.168 -13.756 18.829 1.00 0.00 H ATOM 923 HG22 VAL A 71 -8.161 -14.378 20.159 1.00 0.00 H ATOM 924 HG23 VAL A 71 -7.439 -13.336 18.908 1.00 0.00 H ATOM 925 H VAL A 71 -8.046 -17.157 20.394 1.00 0.00 H ATOM 926 N HIS A 72 -9.330 -18.152 16.795 1.00 41.46 N ATOM 927 CA HIS A 72 -9.079 -19.384 16.037 1.00 43.59 C ATOM 928 C HIS A 72 -8.256 -19.139 14.775 1.00 44.06 C ATOM 929 O HIS A 72 -8.813 -18.950 13.699 1.00 45.17 O ATOM 930 CB HIS A 72 -10.401 -20.076 15.690 1.00 45.06 C ATOM 931 CG HIS A 72 -11.148 -20.578 16.891 1.00 49.06 C ATOM 932 ND1 HIS A 72 -11.399 -21.917 17.108 1.00 54.68 N ATOM 933 CD2 HIS A 72 -11.676 -19.919 17.952 1.00 50.70 C ATOM 934 CE1 HIS A 72 -12.068 -22.059 18.240 1.00 54.97 C ATOM 935 NE2 HIS A 72 -12.246 -20.863 18.773 1.00 54.65 N ATOM 936 HA HIS A 72 -8.488 -20.038 16.678 1.00 0.00 H ATOM 937 HB2 HIS A 72 -11.035 -19.364 15.162 1.00 0.00 H ATOM 938 HB3 HIS A 72 -10.187 -20.923 15.038 1.00 0.00 H ATOM 939 HD2 HIS A 72 -11.653 -18.843 18.122 1.00 0.00 H ATOM 940 HE1 HIS A 72 -12.414 -23.003 18.662 1.00 0.00 H ATOM 941 H HIS A 72 -10.195 -17.605 16.609 1.00 0.00 H ATOM 942 N LEU A 73 -6.934 -19.132 14.912 1.00 44.54 N ATOM 943 CA LEU A 73 -6.039 -18.936 13.759 1.00 45.51 C ATOM 944 C LEU A 73 -5.847 -20.258 13.015 1.00 47.72 C ATOM 945 O LEU A 73 -5.972 -21.329 13.624 1.00 48.60 O ATOM 946 CB LEU A 73 -4.682 -18.374 14.206 1.00 45.06 C ATOM 947 CG LEU A 73 -4.659 -17.033 14.959 1.00 44.01 C ATOM 948 CD1 LEU A 73 -3.259 -16.699 15.417 1.00 41.37 C ATOM 949 CD2 LEU A 73 -5.216 -15.909 14.111 1.00 43.97 C ATOM 950 HA LEU A 73 -6.499 -18.212 13.086 1.00 0.00 H ATOM 951 HB2 LEU A 73 -4.223 -19.118 14.857 1.00 0.00 H ATOM 952 HB3 LEU A 73 -4.072 -18.252 13.311 1.00 0.00 H ATOM 953 HG LEU A 73 -5.298 -17.141 15.836 1.00 0.00 H ATOM 954 HD21 LEU A 73 -4.617 -15.807 13.206 1.00 0.00 H ATOM 955 HD22 LEU A 73 -6.248 -16.136 13.842 1.00 0.00 H ATOM 956 HD23 LEU A 73 -5.183 -14.978 14.677 1.00 0.00 H ATOM 957 HD11 LEU A 73 -2.899 -17.483 16.083 1.00 0.00 H ATOM 958 HD12 LEU A 73 -2.602 -16.627 14.550 1.00 0.00 H ATOM 959 HD13 LEU A 73 -3.269 -15.746 15.947 1.00 0.00 H ATOM 960 H LEU A 73 -6.521 -19.268 15.857 1.00 0.00 H ATOM 961 N ALA A 74 -5.537 -20.198 11.716 1.00 47.90 N ATOM 962 CA ALA A 74 -5.290 -21.424 10.946 1.00 49.94 C ATOM 963 C ALA A 74 -4.071 -22.162 11.504 1.00 50.60 C ATOM 964 O ALA A 74 -3.983 -23.380 11.403 1.00 51.72 O ATOM 965 CB ALA A 74 -5.071 -21.106 9.484 1.00 51.14 C ATOM 966 HA ALA A 74 -6.168 -22.063 11.035 1.00 0.00 H ATOM 967 HB1 ALA A 74 -5.957 -20.612 9.084 1.00 0.00 H ATOM 968 HB2 ALA A 74 -4.209 -20.447 9.382 1.00 0.00 H ATOM 969 HB3 ALA A 74 -4.890 -22.030 8.936 1.00 0.00 H ATOM 970 H ALA A 74 -5.470 -19.273 11.245 1.00 0.00 H ATOM 971 N THR A 75 -3.140 -21.405 12.089 1.00 49.16 N ATOM 972 CA THR A 75 -1.952 -21.980 12.729 1.00 49.57 C ATOM 973 C THR A 75 -2.264 -22.536 14.119 1.00 48.89 C ATOM 974 O THR A 75 -1.382 -23.067 14.779 1.00 51.46 O ATOM 975 CB THR A 75 -0.821 -20.948 12.857 1.00 48.94 C ATOM 976 OG1 THR A 75 -1.366 -19.735 13.384 1.00 46.32 O ATOM 977 CG2 THR A 75 -0.191 -20.668 11.485 1.00 48.31 C ATOM 978 HA THR A 75 -1.629 -22.795 12.082 1.00 0.00 H ATOM 979 HB THR A 75 -0.050 -21.339 13.521 1.00 0.00 H ATOM 980 HG1 THR A 75 -1.763 -19.912 14.273 1.00 0.00 H ATOM 981 HG23 THR A 75 0.225 -21.592 11.082 1.00 0.00 H ATOM 982 HG21 THR A 75 -0.954 -20.286 10.807 1.00 0.00 H ATOM 983 HG22 THR A 75 0.602 -19.929 11.595 1.00 0.00 H ATOM 984 H THR A 75 -3.261 -20.372 12.091 1.00 0.00 H ATOM 985 N GLY A 76 -3.515 -22.404 14.553 1.00 47.11 N ATOM 986 CA GLY A 76 -3.971 -22.926 15.842 1.00 45.75 C ATOM 987 C GLY A 76 -4.497 -21.827 16.751 1.00 43.82 C ATOM 988 O GLY A 76 -4.055 -20.679 16.663 1.00 42.30 O ATOM 989 HA3 GLY A 76 -3.135 -23.421 16.336 1.00 0.00 H ATOM 990 HA2 GLY A 76 -4.768 -23.649 15.667 1.00 0.00 H ATOM 991 H GLY A 76 -4.200 -21.907 13.949 1.00 0.00 H ATOM 992 N LYS A 77 -5.414 -22.169 17.650 1.00 43.45 N ATOM 993 CA LYS A 77 -5.996 -21.137 18.509 1.00 43.13 C ATOM 994 C LYS A 77 -5.077 -20.592 19.605 1.00 42.29 C ATOM 995 O LYS A 77 -4.227 -21.307 20.167 1.00 41.81 O ATOM 996 CB LYS A 77 -7.375 -21.530 19.057 1.00 44.62 C ATOM 997 CG LYS A 77 -7.425 -22.754 19.872 1.00 48.31 C ATOM 998 CD LYS A 77 -8.854 -23.015 20.308 1.00 53.26 C ATOM 999 CE LYS A 77 -8.896 -24.239 21.208 1.00 56.41 C ATOM 1000 NZ LYS A 77 -10.284 -24.652 21.534 1.00 59.17 N ATOM 1001 HA LYS A 77 -6.135 -20.294 17.832 1.00 0.00 H ATOM 1002 HB2 LYS A 77 -7.736 -20.706 19.672 1.00 0.00 H ATOM 1003 HB3 LYS A 77 -8.044 -21.668 18.207 1.00 0.00 H ATOM 1004 HG2 LYS A 77 -7.065 -23.598 19.283 1.00 0.00 H ATOM 1005 HG3 LYS A 77 -6.793 -22.631 20.752 1.00 0.00 H ATOM 1006 HD2 LYS A 77 -9.231 -22.150 20.853 1.00 0.00 H ATOM 1007 HD3 LYS A 77 -9.476 -23.188 19.430 1.00 0.00 H ATOM 1008 HE2 LYS A 77 -8.371 -24.010 22.136 1.00 0.00 H ATOM 1009 HE3 LYS A 77 -8.394 -25.064 20.702 1.00 0.00 H ATOM 1010 HZ1 LYS A 77 -10.770 -23.874 22.025 1.00 0.00 H ATOM 1011 HZ2 LYS A 77 -10.792 -24.880 20.656 1.00 0.00 H ATOM 1012 HZ3 LYS A 77 -10.260 -25.490 22.149 1.00 0.00 H ATOM 1013 H LYS A 77 -5.715 -23.160 17.742 1.00 0.00 H ATOM 1014 N VAL A 78 -5.249 -19.301 19.866 1.00 40.72 N ATOM 1015 CA VAL A 78 -4.484 -18.579 20.877 1.00 40.58 C ATOM 1016 C VAL A 78 -5.431 -17.656 21.647 1.00 40.28 C ATOM 1017 O VAL A 78 -6.562 -17.390 21.210 1.00 39.43 O ATOM 1018 CB VAL A 78 -3.319 -17.721 20.255 1.00 39.94 C ATOM 1019 CG1 VAL A 78 -2.302 -18.596 19.526 1.00 41.41 C ATOM 1020 CG2 VAL A 78 -3.852 -16.589 19.324 1.00 39.70 C ATOM 1021 HA VAL A 78 -4.028 -19.317 21.537 1.00 0.00 H ATOM 1022 HB VAL A 78 -2.809 -17.240 21.089 1.00 0.00 H ATOM 1023 HG11 VAL A 78 -1.868 -19.308 20.228 1.00 0.00 H ATOM 1024 HG12 VAL A 78 -2.800 -19.135 18.720 1.00 0.00 H ATOM 1025 HG13 VAL A 78 -1.514 -17.967 19.111 1.00 0.00 H ATOM 1026 HG21 VAL A 78 -4.421 -17.031 18.506 1.00 0.00 H ATOM 1027 HG22 VAL A 78 -4.495 -15.922 19.897 1.00 0.00 H ATOM 1028 HG23 VAL A 78 -3.010 -16.026 18.920 1.00 0.00 H ATOM 1029 H VAL A 78 -5.965 -18.778 19.322 1.00 0.00 H ATOM 1030 N THR A 79 -4.953 -17.163 22.785 1.00 39.45 N ATOM 1031 CA THR A 79 -5.651 -16.127 23.524 1.00 38.66 C ATOM 1032 C THR A 79 -5.104 -14.764 23.120 1.00 38.21 C ATOM 1033 O THR A 79 -3.891 -14.580 23.001 1.00 37.28 O ATOM 1034 CB THR A 79 -5.493 -16.344 25.012 1.00 38.80 C ATOM 1035 OG1 THR A 79 -6.135 -17.570 25.347 1.00 42.37 O ATOM 1036 CG2 THR A 79 -6.134 -15.224 25.793 1.00 37.42 C ATOM 1037 HA THR A 79 -6.714 -16.169 23.288 1.00 0.00 H ATOM 1038 HB THR A 79 -4.432 -16.371 25.262 1.00 0.00 H ATOM 1039 HG1 THR A 79 -6.044 -17.734 26.319 1.00 0.00 H ATOM 1040 HG23 THR A 79 -5.647 -14.282 25.541 1.00 0.00 H ATOM 1041 HG21 THR A 79 -7.193 -15.166 25.540 1.00 0.00 H ATOM 1042 HG22 THR A 79 -6.024 -15.417 26.860 1.00 0.00 H ATOM 1043 H THR A 79 -4.054 -17.530 23.156 1.00 0.00 H ATOM 1044 N HIS A 80 -6.014 -13.816 22.879 1.00 38.52 N ATOM 1045 CA HIS A 80 -5.624 -12.466 22.465 1.00 38.52 C ATOM 1046 C HIS A 80 -6.584 -11.407 23.002 1.00 37.93 C ATOM 1047 O HIS A 80 -7.783 -11.643 23.169 1.00 38.21 O ATOM 1048 CB HIS A 80 -5.504 -12.367 20.926 1.00 38.03 C ATOM 1049 CG HIS A 80 -4.639 -11.236 20.460 1.00 40.27 C ATOM 1050 ND1 HIS A 80 -3.276 -11.210 20.668 1.00 41.47 N ATOM 1051 CD2 HIS A 80 -4.940 -10.091 19.802 1.00 42.18 C ATOM 1052 CE1 HIS A 80 -2.775 -10.097 20.164 1.00 42.51 C ATOM 1053 NE2 HIS A 80 -3.765 -9.400 19.632 1.00 43.82 N ATOM 1054 HA HIS A 80 -4.643 -12.269 22.898 1.00 0.00 H ATOM 1055 HB2 HIS A 80 -5.081 -13.300 20.553 1.00 0.00 H ATOM 1056 HB3 HIS A 80 -6.503 -12.230 20.511 1.00 0.00 H ATOM 1057 HD2 HIS A 80 -5.929 -9.777 19.470 1.00 0.00 H ATOM 1058 HE1 HIS A 80 -1.726 -9.803 20.183 1.00 0.00 H ATOM 1059 H HIS A 80 -7.023 -14.042 22.988 1.00 0.00 H ATOM 1060 N SER A 81 -6.045 -10.239 23.294 1.00 38.28 N ATOM 1061 CA SER A 81 -6.893 -9.115 23.655 1.00 39.13 C ATOM 1062 C SER A 81 -6.720 -7.995 22.622 1.00 37.68 C ATOM 1063 O SER A 81 -5.618 -7.790 22.089 1.00 37.34 O ATOM 1064 CB SER A 81 -6.613 -8.670 25.087 1.00 39.59 C ATOM 1065 OG SER A 81 -5.519 -7.802 25.110 1.00 47.45 O ATOM 1066 HA SER A 81 -7.942 -9.412 23.635 1.00 0.00 H ATOM 1067 HB2 SER A 81 -6.394 -9.544 25.701 1.00 0.00 H ATOM 1068 HB3 SER A 81 -7.489 -8.158 25.485 1.00 0.00 H ATOM 1069 HG SER A 81 -5.718 -7.008 24.554 1.00 0.00 H ATOM 1070 H SER A 81 -5.012 -10.122 23.266 1.00 0.00 H ATOM 1071 N PHE A 82 -7.824 -7.318 22.316 1.00 36.48 N ATOM 1072 CA PHE A 82 -7.911 -6.358 21.217 1.00 35.98 C ATOM 1073 C PHE A 82 -8.113 -4.946 21.756 1.00 36.16 C ATOM 1074 O PHE A 82 -8.633 -4.767 22.863 1.00 35.08 O ATOM 1075 CB PHE A 82 -9.096 -6.718 20.293 1.00 35.94 C ATOM 1076 CG PHE A 82 -8.932 -8.031 19.559 1.00 35.64 C ATOM 1077 CD1 PHE A 82 -8.456 -8.060 18.251 1.00 34.30 C ATOM 1078 CD2 PHE A 82 -9.253 -9.241 20.174 1.00 37.95 C ATOM 1079 CE1 PHE A 82 -8.315 -9.285 17.559 1.00 34.15 C ATOM 1080 CE2 PHE A 82 -9.109 -10.470 19.494 1.00 35.87 C ATOM 1081 CZ PHE A 82 -8.646 -10.489 18.191 1.00 35.05 C ATOM 1082 HA PHE A 82 -6.979 -6.398 20.654 1.00 0.00 H ATOM 1083 HB2 PHE A 82 -9.999 -6.776 20.901 1.00 0.00 H ATOM 1084 HB3 PHE A 82 -9.207 -5.924 19.554 1.00 0.00 H ATOM 1085 HD2 PHE A 82 -9.622 -9.238 21.200 1.00 0.00 H ATOM 1086 HE2 PHE A 82 -9.363 -11.404 19.996 1.00 0.00 H ATOM 1087 HZ PHE A 82 -8.540 -11.435 17.660 1.00 0.00 H ATOM 1088 HE1 PHE A 82 -7.948 -9.292 16.533 1.00 0.00 H ATOM 1089 HD1 PHE A 82 -8.189 -7.127 17.754 1.00 0.00 H ATOM 1090 H PHE A 82 -8.674 -7.481 22.892 1.00 0.00 H ATOM 1091 N LEU A 83 -7.677 -3.947 20.987 1.00 35.02 N ATOM 1092 CA LEU A 83 -8.049 -2.559 21.255 1.00 35.90 C ATOM 1093 C LEU A 83 -9.484 -2.374 20.782 1.00 35.70 C ATOM 1094 O LEU A 83 -9.814 -2.758 19.666 1.00 35.60 O ATOM 1095 CB LEU A 83 -7.107 -1.581 20.513 1.00 35.59 C ATOM 1096 CG LEU A 83 -5.676 -1.538 21.053 1.00 38.36 C ATOM 1097 CD1 LEU A 83 -4.716 -0.885 20.066 1.00 41.25 C ATOM 1098 CD2 LEU A 83 -5.648 -0.819 22.408 1.00 40.01 C ATOM 1099 HA LEU A 83 -7.962 -2.345 22.320 1.00 0.00 H ATOM 1100 HB2 LEU A 83 -7.066 -1.878 19.465 1.00 0.00 H ATOM 1101 HB3 LEU A 83 -7.529 -0.579 20.589 1.00 0.00 H ATOM 1102 HG LEU A 83 -5.337 -2.565 21.192 1.00 0.00 H ATOM 1103 HD21 LEU A 83 -6.016 0.199 22.285 1.00 0.00 H ATOM 1104 HD22 LEU A 83 -6.283 -1.354 23.115 1.00 0.00 H ATOM 1105 HD23 LEU A 83 -4.625 -0.794 22.783 1.00 0.00 H ATOM 1106 HD11 LEU A 83 -4.713 -1.451 19.135 1.00 0.00 H ATOM 1107 HD12 LEU A 83 -5.039 0.138 19.870 1.00 0.00 H ATOM 1108 HD13 LEU A 83 -3.712 -0.876 20.490 1.00 0.00 H ATOM 1109 H LEU A 83 -7.059 -4.160 20.179 1.00 0.00 H ATOM 1110 N HIS A 84 -10.346 -1.834 21.634 1.00 36.45 N ATOM 1111 CA HIS A 84 -11.683 -1.449 21.178 1.00 37.59 C ATOM 1112 C HIS A 84 -11.631 -0.008 20.701 1.00 38.16 C ATOM 1113 O HIS A 84 -11.465 0.900 21.507 1.00 38.31 O ATOM 1114 CB HIS A 84 -12.733 -1.616 22.278 1.00 37.72 C ATOM 1115 CG HIS A 84 -14.105 -1.166 21.874 1.00 40.87 C ATOM 1116 ND1 HIS A 84 -14.907 -0.394 22.688 1.00 44.14 N ATOM 1117 CD2 HIS A 84 -14.807 -1.361 20.733 1.00 42.73 C ATOM 1118 CE1 HIS A 84 -16.051 -0.148 22.073 1.00 46.19 C ATOM 1119 NE2 HIS A 84 -16.014 -0.718 20.882 1.00 43.72 N ATOM 1120 HA HIS A 84 -11.981 -2.106 20.361 1.00 0.00 H ATOM 1121 HB2 HIS A 84 -12.782 -2.670 22.550 1.00 0.00 H ATOM 1122 HB3 HIS A 84 -12.420 -1.033 23.144 1.00 0.00 H ATOM 1123 HD2 HIS A 84 -14.477 -1.923 19.859 1.00 0.00 H ATOM 1124 HE1 HIS A 84 -16.883 0.427 22.479 1.00 0.00 H ATOM 1125 H HIS A 84 -10.072 -1.684 22.626 1.00 0.00 H ATOM 1126 N VAL A 85 -11.750 0.187 19.386 1.00 38.97 N ATOM 1127 CA VAL A 85 -11.615 1.501 18.766 1.00 40.13 C ATOM 1128 C VAL A 85 -12.856 1.727 17.930 1.00 41.66 C ATOM 1129 O VAL A 85 -12.863 1.416 16.749 1.00 41.93 O ATOM 1130 CB VAL A 85 -10.352 1.604 17.867 1.00 39.54 C ATOM 1131 CG1 VAL A 85 -10.205 3.014 17.308 1.00 40.48 C ATOM 1132 CG2 VAL A 85 -9.081 1.201 18.649 1.00 39.66 C ATOM 1133 HA VAL A 85 -11.505 2.256 19.544 1.00 0.00 H ATOM 1134 HB VAL A 85 -10.475 0.911 17.035 1.00 0.00 H ATOM 1135 HG11 VAL A 85 -11.084 3.261 16.713 1.00 0.00 H ATOM 1136 HG12 VAL A 85 -10.112 3.722 18.131 1.00 0.00 H ATOM 1137 HG13 VAL A 85 -9.314 3.064 16.681 1.00 0.00 H ATOM 1138 HG21 VAL A 85 -8.957 1.865 19.505 1.00 0.00 H ATOM 1139 HG22 VAL A 85 -9.181 0.173 18.997 1.00 0.00 H ATOM 1140 HG23 VAL A 85 -8.213 1.283 17.995 1.00 0.00 H ATOM 1141 H VAL A 85 -11.947 -0.633 18.777 1.00 0.00 H ATOM 1142 N PRO A 86 -13.926 2.249 18.549 1.00 43.78 N ATOM 1143 CA PRO A 86 -15.181 2.416 17.808 1.00 46.17 C ATOM 1144 C PRO A 86 -15.142 3.512 16.726 1.00 48.02 C ATOM 1145 O PRO A 86 -16.011 3.533 15.848 1.00 49.39 O ATOM 1146 CB PRO A 86 -16.213 2.711 18.905 1.00 47.11 C ATOM 1147 CG PRO A 86 -15.420 3.163 20.087 1.00 46.59 C ATOM 1148 CD PRO A 86 -14.045 2.606 19.974 1.00 42.93 C ATOM 1149 HA PRO A 86 -15.416 1.526 17.225 1.00 0.00 H ATOM 1150 HD3 PRO A 86 -13.300 3.351 20.251 1.00 0.00 H ATOM 1151 HD2 PRO A 86 -13.929 1.726 20.606 1.00 0.00 H ATOM 1152 HG3 PRO A 86 -15.888 2.804 21.003 1.00 0.00 H ATOM 1153 HG2 PRO A 86 -15.376 4.252 20.106 1.00 0.00 H ATOM 1154 HB2 PRO A 86 -16.898 3.495 18.583 1.00 0.00 H ATOM 1155 HB3 PRO A 86 -16.780 1.812 19.147 1.00 0.00 H ATOM 1156 N ASP A 87 -14.115 4.369 16.755 1.00 48.67 N ATOM 1157 CA ASP A 87 -13.898 5.401 15.724 1.00 49.62 C ATOM 1158 C ASP A 87 -13.360 4.825 14.427 1.00 48.65 C ATOM 1159 O ASP A 87 -13.476 5.434 13.371 1.00 48.64 O ATOM 1160 CB ASP A 87 -12.918 6.452 16.238 1.00 50.36 C ATOM 1161 CG ASP A 87 -13.418 7.138 17.492 1.00 54.83 C ATOM 1162 OD1 ASP A 87 -14.611 7.505 17.522 1.00 58.88 O ATOM 1163 OD2 ASP A 87 -12.632 7.308 18.451 1.00 59.33 O ATOM 1164 HA ASP A 87 -14.870 5.848 15.517 1.00 0.00 H ATOM 1165 HB2 ASP A 87 -11.967 5.967 16.459 1.00 0.00 H ATOM 1166 HB3 ASP A 87 -12.770 7.203 15.462 1.00 0.00 H ATOM 1167 H ASP A 87 -13.438 4.304 17.542 1.00 0.00 H ATOM 1168 N CYS A 88 -12.772 3.641 14.519 1.00 47.71 N ATOM 1169 CA CYS A 88 -12.132 2.979 13.389 1.00 47.56 C ATOM 1170 C CYS A 88 -13.176 2.351 12.454 1.00 48.15 C ATOM 1171 O CYS A 88 -14.124 1.730 12.926 1.00 48.79 O ATOM 1172 CB CYS A 88 -11.192 1.908 13.928 1.00 46.68 C ATOM 1173 SG CYS A 88 -10.047 1.239 12.725 1.00 46.84 S ATOM 1174 HA CYS A 88 -11.572 3.713 12.809 1.00 0.00 H ATOM 1175 HB2 CYS A 88 -11.798 1.088 14.313 1.00 0.00 H ATOM 1176 HB3 CYS A 88 -10.613 2.343 14.742 1.00 0.00 H ATOM 1177 HG CYS A 88 -10.755 0.664 11.689 1.00 0.00 H ATOM 1178 H CYS A 88 -12.767 3.161 15.442 1.00 0.00 H ATOM 1179 N PRO A 89 -13.008 2.517 11.126 1.00 48.92 N ATOM 1180 CA PRO A 89 -13.990 2.044 10.137 1.00 49.43 C ATOM 1181 C PRO A 89 -14.120 0.518 9.954 1.00 49.17 C ATOM 1182 O PRO A 89 -15.205 0.051 9.603 1.00 50.66 O ATOM 1183 CB PRO A 89 -13.512 2.693 8.832 1.00 50.22 C ATOM 1184 CG PRO A 89 -12.085 2.956 9.040 1.00 50.40 C ATOM 1185 CD PRO A 89 -11.938 3.306 10.485 1.00 48.85 C ATOM 1186 HA PRO A 89 -14.991 2.318 10.470 1.00 0.00 H ATOM 1187 HD3 PRO A 89 -10.957 3.016 10.861 1.00 0.00 H ATOM 1188 HD2 PRO A 89 -12.087 4.374 10.647 1.00 0.00 H ATOM 1189 HG3 PRO A 89 -11.757 3.786 8.414 1.00 0.00 H ATOM 1190 HG2 PRO A 89 -11.497 2.069 8.803 1.00 0.00 H ATOM 1191 HB2 PRO A 89 -13.658 2.016 7.991 1.00 0.00 H ATOM 1192 HB3 PRO A 89 -14.050 3.623 8.646 1.00 0.00 H ATOM 1193 N TYR A 90 -13.039 -0.236 10.167 1.00 46.64 N ATOM 1194 CA TYR A 90 -13.060 -1.704 10.044 1.00 45.22 C ATOM 1195 C TYR A 90 -12.298 -2.338 11.193 1.00 41.96 C ATOM 1196 O TYR A 90 -11.375 -1.728 11.699 1.00 42.34 O ATOM 1197 CB TYR A 90 -12.367 -2.139 8.754 1.00 45.45 C ATOM 1198 CG TYR A 90 -12.851 -1.472 7.505 1.00 48.18 C ATOM 1199 CD1 TYR A 90 -14.153 -1.679 7.040 1.00 49.95 C ATOM 1200 CD2 TYR A 90 -11.998 -0.654 6.761 1.00 48.62 C ATOM 1201 CE1 TYR A 90 -14.596 -1.071 5.878 1.00 53.31 C ATOM 1202 CE2 TYR A 90 -12.431 -0.039 5.595 1.00 51.18 C ATOM 1203 CZ TYR A 90 -13.736 -0.254 5.156 1.00 55.19 C ATOM 1204 OH TYR A 90 -14.186 0.348 3.990 1.00 59.96 O ATOM 1205 HA TYR A 90 -14.103 -2.020 10.048 1.00 0.00 H ATOM 1206 HB3 TYR A 90 -12.514 -3.213 8.640 1.00 0.00 H ATOM 1207 HB2 TYR A 90 -11.303 -1.928 8.857 1.00 0.00 H ATOM 1208 HD2 TYR A 90 -10.975 -0.496 7.102 1.00 0.00 H ATOM 1209 HE2 TYR A 90 -11.758 0.605 5.029 1.00 0.00 H ATOM 1210 HE1 TYR A 90 -15.616 -1.233 5.531 1.00 0.00 H ATOM 1211 HD1 TYR A 90 -14.828 -2.327 7.599 1.00 0.00 H ATOM 1212 HH TYR A 90 -15.128 0.089 3.829 1.00 0.00 H ATOM 1213 H TYR A 90 -12.148 0.231 10.430 1.00 0.00 H ATOM 1214 N PRO A 91 -12.670 -3.562 11.616 1.00 41.02 N ATOM 1215 CA PRO A 91 -11.765 -4.287 12.521 1.00 38.80 C ATOM 1216 C PRO A 91 -10.433 -4.534 11.820 1.00 37.09 C ATOM 1217 O PRO A 91 -10.418 -4.741 10.619 1.00 37.14 O ATOM 1218 CB PRO A 91 -12.477 -5.623 12.762 1.00 38.62 C ATOM 1219 CG PRO A 91 -13.881 -5.416 12.337 1.00 41.43 C ATOM 1220 CD PRO A 91 -13.878 -4.345 11.293 1.00 41.47 C ATOM 1221 HA PRO A 91 -11.558 -3.744 13.443 1.00 0.00 H ATOM 1222 HD3 PRO A 91 -13.810 -4.774 10.293 1.00 0.00 H ATOM 1223 HD2 PRO A 91 -14.774 -3.728 11.363 1.00 0.00 H ATOM 1224 HG3 PRO A 91 -14.487 -5.105 13.188 1.00 0.00 H ATOM 1225 HG2 PRO A 91 -14.285 -6.340 11.923 1.00 0.00 H ATOM 1226 HB2 PRO A 91 -12.014 -6.412 12.170 1.00 0.00 H ATOM 1227 HB3 PRO A 91 -12.435 -5.890 13.818 1.00 0.00 H ATOM 1228 N LEU A 92 -9.331 -4.498 12.558 1.00 36.11 N ATOM 1229 CA LEU A 92 -8.010 -4.583 11.947 1.00 35.69 C ATOM 1230 C LEU A 92 -7.257 -5.737 12.538 1.00 35.23 C ATOM 1231 O LEU A 92 -7.293 -5.962 13.748 1.00 34.29 O ATOM 1232 CB LEU A 92 -7.193 -3.296 12.160 1.00 35.57 C ATOM 1233 CG LEU A 92 -7.855 -1.976 11.786 1.00 38.02 C ATOM 1234 CD1 LEU A 92 -6.948 -0.819 12.191 1.00 38.69 C ATOM 1235 CD2 LEU A 92 -8.191 -1.903 10.298 1.00 35.82 C ATOM 1236 HA LEU A 92 -8.153 -4.723 10.876 1.00 0.00 H ATOM 1237 HB2 LEU A 92 -6.934 -3.244 13.217 1.00 0.00 H ATOM 1238 HB3 LEU A 92 -6.282 -3.385 11.568 1.00 0.00 H ATOM 1239 HG LEU A 92 -8.799 -1.906 12.326 1.00 0.00 H ATOM 1240 HD21 LEU A 92 -7.275 -2.001 9.715 1.00 0.00 H ATOM 1241 HD22 LEU A 92 -8.876 -2.711 10.041 1.00 0.00 H ATOM 1242 HD23 LEU A 92 -8.661 -0.944 10.080 1.00 0.00 H ATOM 1243 HD11 LEU A 92 -6.781 -0.850 13.268 1.00 0.00 H ATOM 1244 HD12 LEU A 92 -5.994 -0.908 11.671 1.00 0.00 H ATOM 1245 HD13 LEU A 92 -7.423 0.125 11.923 1.00 0.00 H ATOM 1246 H LEU A 92 -9.411 -4.408 13.591 1.00 0.00 H ATOM 1247 N LEU A 93 -6.597 -6.481 11.666 1.00 35.52 N ATOM 1248 CA LEU A 93 -5.716 -7.552 12.084 1.00 36.79 C ATOM 1249 C LEU A 93 -4.286 -7.076 11.886 1.00 36.42 C ATOM 1250 O LEU A 93 -3.793 -6.970 10.752 1.00 36.86 O ATOM 1251 CB LEU A 93 -6.018 -8.813 11.266 1.00 38.08 C ATOM 1252 CG LEU A 93 -5.427 -10.102 11.814 1.00 41.29 C ATOM 1253 CD1 LEU A 93 -6.241 -10.557 13.029 1.00 43.40 C ATOM 1254 CD2 LEU A 93 -5.450 -11.147 10.734 1.00 44.74 C ATOM 1255 HA LEU A 93 -5.865 -7.806 13.134 1.00 0.00 H ATOM 1256 HB2 LEU A 93 -7.100 -8.932 11.219 1.00 0.00 H ATOM 1257 HB3 LEU A 93 -5.626 -8.664 10.260 1.00 0.00 H ATOM 1258 HG LEU A 93 -4.396 -9.943 12.129 1.00 0.00 H ATOM 1259 HD21 LEU A 93 -6.479 -11.318 10.418 1.00 0.00 H ATOM 1260 HD22 LEU A 93 -4.860 -10.803 9.885 1.00 0.00 H ATOM 1261 HD23 LEU A 93 -5.028 -12.075 11.119 1.00 0.00 H ATOM 1262 HD11 LEU A 93 -6.207 -9.784 13.797 1.00 0.00 H ATOM 1263 HD12 LEU A 93 -7.275 -10.728 12.729 1.00 0.00 H ATOM 1264 HD13 LEU A 93 -5.818 -11.481 13.423 1.00 0.00 H ATOM 1265 H LEU A 93 -6.714 -6.291 10.650 1.00 0.00 H ATOM 1266 N GLY A 94 -3.628 -6.757 12.996 1.00 36.88 N ATOM 1267 CA GLY A 94 -2.322 -6.122 12.935 1.00 35.99 C ATOM 1268 C GLY A 94 -1.171 -7.110 12.985 1.00 36.44 C ATOM 1269 O GLY A 94 -1.377 -8.336 12.956 1.00 36.37 O ATOM 1270 HA3 GLY A 94 -2.229 -5.439 13.780 1.00 0.00 H ATOM 1271 HA2 GLY A 94 -2.254 -5.558 12.005 1.00 0.00 H ATOM 1272 H GLY A 94 -4.054 -6.965 13.922 1.00 0.00 H ATOM 1273 N ARG A 95 0.035 -6.553 13.090 1.00 35.79 N ATOM 1274 CA ARG A 95 1.279 -7.303 13.115 1.00 36.59 C ATOM 1275 C ARG A 95 1.381 -8.272 14.304 1.00 37.18 C ATOM 1276 O ARG A 95 2.051 -9.297 14.201 1.00 37.38 O ATOM 1277 CB ARG A 95 2.482 -6.349 13.110 1.00 36.88 C ATOM 1278 CG ARG A 95 2.601 -5.509 11.848 1.00 35.78 C ATOM 1279 CD ARG A 95 3.949 -4.787 11.760 1.00 39.97 C ATOM 1280 NE ARG A 95 4.248 -3.917 12.896 1.00 40.08 N ATOM 1281 CZ ARG A 95 3.857 -2.651 12.998 1.00 40.77 C ATOM 1282 NH1 ARG A 95 3.155 -2.084 12.025 1.00 40.78 N ATOM 1283 NH2 ARG A 95 4.178 -1.942 14.073 1.00 38.59 N ATOM 1284 HA ARG A 95 1.287 -7.912 12.211 1.00 0.00 H ATOM 1285 HB2 ARG A 95 2.389 -5.676 13.962 1.00 0.00 H ATOM 1286 HB3 ARG A 95 3.391 -6.942 13.214 1.00 0.00 H ATOM 1287 HG2 ARG A 95 2.494 -6.160 10.981 1.00 0.00 H ATOM 1288 HG3 ARG A 95 1.803 -4.766 11.844 1.00 0.00 H ATOM 1289 HD2 ARG A 95 3.951 -4.179 10.856 1.00 0.00 H ATOM 1290 HD3 ARG A 95 4.734 -5.540 11.692 1.00 0.00 H ATOM 1291 HE ARG A 95 4.805 -4.316 13.678 1.00 0.00 H ATOM 1292 HH12 ARG A 95 2.852 -1.093 12.112 1.00 0.00 H ATOM 1293 HH11 ARG A 95 2.907 -2.631 11.176 1.00 0.00 H ATOM 1294 HH22 ARG A 95 3.872 -0.951 14.153 1.00 0.00 H ATOM 1295 HH21 ARG A 95 4.736 -2.377 14.836 1.00 0.00 H ATOM 1296 H ARG A 95 0.089 -5.517 13.158 1.00 0.00 H ATOM 1297 N ASP A 96 0.713 -7.957 15.411 1.00 36.85 N ATOM 1298 CA ASP A 96 0.697 -8.846 16.583 1.00 38.49 C ATOM 1299 C ASP A 96 0.109 -10.247 16.276 1.00 39.27 C ATOM 1300 O ASP A 96 0.623 -11.252 16.757 1.00 40.28 O ATOM 1301 CB ASP A 96 -0.049 -8.183 17.754 1.00 38.81 C ATOM 1302 CG ASP A 96 -1.509 -7.797 17.404 1.00 40.33 C ATOM 1303 OD1 ASP A 96 -1.888 -7.794 16.203 1.00 39.74 O ATOM 1304 OD2 ASP A 96 -2.290 -7.494 18.347 1.00 39.67 O ATOM 1305 HA ASP A 96 1.737 -9.006 16.868 1.00 0.00 H ATOM 1306 HB2 ASP A 96 -0.065 -8.878 18.593 1.00 0.00 H ATOM 1307 HB3 ASP A 96 0.489 -7.280 18.042 1.00 0.00 H ATOM 1308 H ASP A 96 0.189 -7.059 15.449 1.00 0.00 H ATOM 1309 N LEU A 97 -0.947 -10.313 15.468 1.00 37.85 N ATOM 1310 CA LEU A 97 -1.529 -11.605 15.110 1.00 37.88 C ATOM 1311 C LEU A 97 -0.993 -12.143 13.791 1.00 39.01 C ATOM 1312 O LEU A 97 -0.901 -13.362 13.610 1.00 38.82 O ATOM 1313 CB LEU A 97 -3.051 -11.538 15.091 1.00 37.98 C ATOM 1314 CG LEU A 97 -3.703 -11.532 16.479 1.00 37.91 C ATOM 1315 CD1 LEU A 97 -5.217 -11.265 16.374 1.00 41.22 C ATOM 1316 CD2 LEU A 97 -3.455 -12.842 17.240 1.00 38.84 C ATOM 1317 HA LEU A 97 -1.225 -12.308 15.886 1.00 0.00 H ATOM 1318 HB2 LEU A 97 -3.346 -10.626 14.572 1.00 0.00 H ATOM 1319 HB3 LEU A 97 -3.424 -12.403 14.543 1.00 0.00 H ATOM 1320 HG LEU A 97 -3.236 -10.725 17.043 1.00 0.00 H ATOM 1321 HD21 LEU A 97 -3.871 -13.675 16.673 1.00 0.00 H ATOM 1322 HD22 LEU A 97 -2.383 -12.988 17.369 1.00 0.00 H ATOM 1323 HD23 LEU A 97 -3.936 -12.790 18.217 1.00 0.00 H ATOM 1324 HD11 LEU A 97 -5.382 -10.295 15.904 1.00 0.00 H ATOM 1325 HD12 LEU A 97 -5.681 -12.046 15.771 1.00 0.00 H ATOM 1326 HD13 LEU A 97 -5.655 -11.266 17.372 1.00 0.00 H ATOM 1327 H LEU A 97 -1.361 -9.438 15.088 1.00 0.00 H ATOM 1328 N LEU A 98 -0.595 -11.244 12.889 1.00 38.37 N ATOM 1329 CA LEU A 98 0.012 -11.664 11.632 1.00 39.64 C ATOM 1330 C LEU A 98 1.302 -12.422 11.894 1.00 40.82 C ATOM 1331 O LEU A 98 1.598 -13.394 11.202 1.00 42.04 O ATOM 1332 CB LEU A 98 0.271 -10.482 10.690 1.00 38.34 C ATOM 1333 CG LEU A 98 -0.994 -9.891 10.088 1.00 38.88 C ATOM 1334 CD1 LEU A 98 -0.722 -8.509 9.516 1.00 36.93 C ATOM 1335 CD2 LEU A 98 -1.546 -10.853 9.030 1.00 39.83 C ATOM 1336 HA LEU A 98 -0.698 -12.325 11.136 1.00 0.00 H ATOM 1337 HB2 LEU A 98 0.783 -9.700 11.251 1.00 0.00 H ATOM 1338 HB3 LEU A 98 0.912 -10.823 9.877 1.00 0.00 H ATOM 1339 HG LEU A 98 -1.748 -9.767 10.865 1.00 0.00 H ATOM 1340 HD21 LEU A 98 -0.801 -10.997 8.248 1.00 0.00 H ATOM 1341 HD22 LEU A 98 -1.775 -11.811 9.496 1.00 0.00 H ATOM 1342 HD23 LEU A 98 -2.453 -10.432 8.596 1.00 0.00 H ATOM 1343 HD11 LEU A 98 -0.369 -7.852 10.310 1.00 0.00 H ATOM 1344 HD12 LEU A 98 0.038 -8.582 8.738 1.00 0.00 H ATOM 1345 HD13 LEU A 98 -1.641 -8.106 9.091 1.00 0.00 H ATOM 1346 H LEU A 98 -0.719 -10.230 13.085 1.00 0.00 H ATOM 1347 N THR A 99 2.062 -11.972 12.891 1.00 41.93 N ATOM 1348 CA THR A 99 3.281 -12.665 13.256 1.00 44.44 C ATOM 1349 C THR A 99 2.989 -14.068 13.789 1.00 45.30 C ATOM 1350 O THR A 99 3.787 -14.970 13.575 1.00 47.04 O ATOM 1351 CB THR A 99 4.202 -11.864 14.213 1.00 44.71 C ATOM 1352 OG1 THR A 99 5.386 -12.638 14.455 1.00 51.23 O ATOM 1353 CG2 THR A 99 3.531 -11.590 15.538 1.00 42.96 C ATOM 1354 HA THR A 99 3.849 -12.765 12.331 1.00 0.00 H ATOM 1355 HB THR A 99 4.435 -10.908 13.744 1.00 0.00 H ATOM 1356 HG1 THR A 99 5.135 -13.502 14.869 1.00 0.00 H ATOM 1357 HG23 THR A 99 2.628 -11.002 15.372 1.00 0.00 H ATOM 1358 HG21 THR A 99 3.268 -12.535 16.013 1.00 0.00 H ATOM 1359 HG22 THR A 99 4.214 -11.036 16.182 1.00 0.00 H ATOM 1360 H THR A 99 1.778 -11.117 13.411 1.00 0.00 H ATOM 1361 N LYS A 100 1.847 -14.254 14.450 1.00 44.54 N ATOM 1362 CA LYS A 100 1.472 -15.578 14.965 1.00 46.06 C ATOM 1363 C LYS A 100 0.983 -16.497 13.845 1.00 46.45 C ATOM 1364 O LYS A 100 1.251 -17.698 13.849 1.00 47.03 O ATOM 1365 CB LYS A 100 0.438 -15.461 16.102 1.00 45.00 C ATOM 1366 CG LYS A 100 1.009 -14.787 17.347 1.00 46.51 C ATOM 1367 CD LYS A 100 0.031 -14.797 18.503 1.00 52.20 C ATOM 1368 CE LYS A 100 0.633 -14.126 19.717 1.00 56.47 C ATOM 1369 NZ LYS A 100 -0.038 -14.616 20.953 1.00 62.35 N ATOM 1370 HA LYS A 100 2.367 -16.036 15.385 1.00 0.00 H ATOM 1371 HB2 LYS A 100 -0.409 -14.875 15.745 1.00 0.00 H ATOM 1372 HB3 LYS A 100 0.099 -16.462 16.371 1.00 0.00 H ATOM 1373 HG2 LYS A 100 1.914 -15.314 17.648 1.00 0.00 H ATOM 1374 HG3 LYS A 100 1.256 -13.753 17.105 1.00 0.00 H ATOM 1375 HD2 LYS A 100 -0.874 -14.264 18.211 1.00 0.00 H ATOM 1376 HD3 LYS A 100 -0.220 -15.828 18.751 1.00 0.00 H ATOM 1377 HE2 LYS A 100 0.500 -13.047 19.637 1.00 0.00 H ATOM 1378 HE3 LYS A 100 1.697 -14.357 19.767 1.00 0.00 H ATOM 1379 HZ1 LYS A 100 -1.053 -14.394 20.906 1.00 0.00 H ATOM 1380 HZ2 LYS A 100 0.090 -15.645 21.031 1.00 0.00 H ATOM 1381 HZ3 LYS A 100 0.382 -14.150 21.782 1.00 0.00 H ATOM 1382 H LYS A 100 1.209 -13.447 14.604 1.00 0.00 H ATOM 1383 N LEU A 101 0.286 -15.916 12.876 1.00 46.14 N ATOM 1384 CA LEU A 101 -0.197 -16.647 11.718 1.00 47.66 C ATOM 1385 C LEU A 101 0.919 -16.941 10.701 1.00 49.05 C ATOM 1386 O LEU A 101 0.780 -17.829 9.858 1.00 50.22 O ATOM 1387 CB LEU A 101 -1.316 -15.830 11.073 1.00 47.34 C ATOM 1388 CG LEU A 101 -2.303 -16.371 10.036 1.00 49.80 C ATOM 1389 CD1 LEU A 101 -3.052 -17.645 10.470 1.00 46.55 C ATOM 1390 CD2 LEU A 101 -3.300 -15.259 9.764 1.00 51.51 C ATOM 1391 HA LEU A 101 -0.570 -17.617 12.045 1.00 0.00 H ATOM 1392 HB2 LEU A 101 -1.929 -15.470 11.899 1.00 0.00 H ATOM 1393 HB3 LEU A 101 -0.822 -14.985 10.593 1.00 0.00 H ATOM 1394 HG LEU A 101 -1.738 -16.665 9.151 1.00 0.00 H ATOM 1395 HD21 LEU A 101 -3.813 -14.998 10.690 1.00 0.00 H ATOM 1396 HD22 LEU A 101 -2.773 -14.386 9.380 1.00 0.00 H ATOM 1397 HD23 LEU A 101 -4.028 -15.598 9.027 1.00 0.00 H ATOM 1398 HD11 LEU A 101 -2.332 -18.439 10.667 1.00 0.00 H ATOM 1399 HD12 LEU A 101 -3.624 -17.438 11.375 1.00 0.00 H ATOM 1400 HD13 LEU A 101 -3.729 -17.956 9.674 1.00 0.00 H ATOM 1401 H LEU A 101 0.078 -14.900 12.949 1.00 0.00 H ATOM 1402 N LYS A 102 2.032 -16.215 10.786 1.00 49.33 N ATOM 1403 CA LYS A 102 3.078 -16.268 9.752 1.00 50.35 C ATOM 1404 C LYS A 102 2.422 -16.160 8.369 1.00 49.96 C ATOM 1405 O LYS A 102 2.754 -16.906 7.445 1.00 50.83 O ATOM 1406 CB LYS A 102 3.933 -17.549 9.846 1.00 52.66 C ATOM 1407 CG LYS A 102 4.451 -17.912 11.246 1.00 54.93 C ATOM 1408 CD LYS A 102 5.561 -16.988 11.729 1.00 60.42 C ATOM 1409 CE LYS A 102 6.008 -17.336 13.156 1.00 62.98 C ATOM 1410 NZ LYS A 102 6.785 -18.620 13.217 1.00 68.09 N ATOM 1411 HA LYS A 102 3.755 -15.429 9.912 1.00 0.00 H ATOM 1412 HB2 LYS A 102 3.327 -18.382 9.488 1.00 0.00 H ATOM 1413 HB3 LYS A 102 4.797 -17.423 9.193 1.00 0.00 H ATOM 1414 HG2 LYS A 102 3.620 -17.855 11.949 1.00 0.00 H ATOM 1415 HG3 LYS A 102 4.834 -18.932 11.221 1.00 0.00 H ATOM 1416 HD2 LYS A 102 6.415 -17.081 11.058 1.00 0.00 H ATOM 1417 HD3 LYS A 102 5.198 -15.960 11.713 1.00 0.00 H ATOM 1418 HE2 LYS A 102 5.124 -17.432 13.786 1.00 0.00 H ATOM 1419 HE3 LYS A 102 6.636 -16.529 13.533 1.00 0.00 H ATOM 1420 HZ1 LYS A 102 6.192 -19.399 12.867 1.00 0.00 H ATOM 1421 HZ2 LYS A 102 7.636 -18.537 12.625 1.00 0.00 H ATOM 1422 HZ3 LYS A 102 7.063 -18.809 14.201 1.00 0.00 H ATOM 1423 H LYS A 102 2.166 -15.592 11.608 1.00 0.00 H ATOM 1424 N ALA A 103 1.475 -15.236 8.240 1.00 48.21 N ATOM 1425 CA ALA A 103 0.745 -15.058 6.991 1.00 48.29 C ATOM 1426 C ALA A 103 1.625 -14.520 5.855 1.00 48.97 C ATOM 1427 O ALA A 103 2.643 -13.850 6.078 1.00 48.91 O ATOM 1428 CB ALA A 103 -0.467 -14.160 7.208 1.00 47.44 C ATOM 1429 HA ALA A 103 0.408 -16.046 6.678 1.00 0.00 H ATOM 1430 HB1 ALA A 103 -1.128 -14.616 7.945 1.00 0.00 H ATOM 1431 HB2 ALA A 103 -0.136 -13.186 7.569 1.00 0.00 H ATOM 1432 HB3 ALA A 103 -1.000 -14.038 6.265 1.00 0.00 H ATOM 1433 H ALA A 103 1.249 -14.625 9.051 1.00 0.00 H ATOM 1434 N GLN A 104 1.230 -14.861 4.641 1.00 49.33 N ATOM 1435 CA GLN A 104 1.764 -14.251 3.445 1.00 50.81 C ATOM 1436 C GLN A 104 0.610 -13.516 2.811 1.00 49.75 C ATOM 1437 O GLN A 104 -0.522 -14.026 2.787 1.00 50.08 O ATOM 1438 CB GLN A 104 2.293 -15.308 2.481 1.00 52.30 C ATOM 1439 CG GLN A 104 3.417 -16.155 3.060 1.00 57.41 C ATOM 1440 CD GLN A 104 3.685 -17.414 2.247 1.00 62.96 C ATOM 1441 OE1 GLN A 104 3.509 -17.439 1.019 1.00 64.37 O ATOM 1442 NE2 GLN A 104 4.117 -18.465 2.928 1.00 64.73 N ATOM 1443 HA GLN A 104 2.596 -13.588 3.682 1.00 0.00 H ATOM 1444 HB2 GLN A 104 1.470 -15.968 2.208 1.00 0.00 H ATOM 1445 HB3 GLN A 104 2.665 -14.805 1.589 1.00 0.00 H ATOM 1446 HG2 GLN A 104 4.327 -15.556 3.085 1.00 0.00 H ATOM 1447 HG3 GLN A 104 3.147 -16.446 4.075 1.00 0.00 H ATOM 1448 HE22 GLN A 104 4.250 -18.399 3.957 1.00 0.00 H ATOM 1449 HE21 GLN A 104 4.323 -19.356 2.433 1.00 0.00 H ATOM 1450 H GLN A 104 0.504 -15.599 4.542 1.00 0.00 H ATOM 1451 N ILE A 105 0.881 -12.311 2.325 1.00 48.53 N ATOM 1452 CA ILE A 105 -0.134 -11.513 1.657 1.00 48.30 C ATOM 1453 C ILE A 105 0.313 -11.274 0.212 1.00 49.67 C ATOM 1454 O ILE A 105 1.420 -10.800 -0.025 1.00 49.82 O ATOM 1455 CB ILE A 105 -0.368 -10.184 2.405 1.00 47.76 C ATOM 1456 CG1 ILE A 105 -0.811 -10.460 3.850 1.00 47.80 C ATOM 1457 CG2 ILE A 105 -1.393 -9.330 1.676 1.00 46.73 C ATOM 1458 CD1 ILE A 105 -0.226 -9.496 4.873 1.00 47.27 C ATOM 1459 HA ILE A 105 -1.086 -12.045 1.656 1.00 0.00 H ATOM 1460 HB ILE A 105 0.570 -9.630 2.433 1.00 0.00 H ATOM 1461 HG12 ILE A 105 -1.898 -10.390 3.895 1.00 0.00 H ATOM 1462 HG13 ILE A 105 -0.502 -11.471 4.116 1.00 0.00 H ATOM 1463 HD11 ILE A 105 0.862 -9.562 4.852 1.00 0.00 H ATOM 1464 HD12 ILE A 105 -0.535 -8.479 4.630 1.00 0.00 H ATOM 1465 HD13 ILE A 105 -0.588 -9.759 5.867 1.00 0.00 H ATOM 1466 HG21 ILE A 105 -1.032 -9.110 0.671 1.00 0.00 H ATOM 1467 HG22 ILE A 105 -2.337 -9.871 1.614 1.00 0.00 H ATOM 1468 HG23 ILE A 105 -1.542 -8.398 2.222 1.00 0.00 H ATOM 1469 H ILE A 105 1.843 -11.928 2.425 1.00 0.00 H ATOM 1470 N HIS A 106 -0.542 -11.621 -0.742 1.00 50.43 N ATOM 1471 CA HIS A 106 -0.170 -11.591 -2.156 1.00 53.07 C ATOM 1472 C HIS A 106 -0.993 -10.572 -2.920 1.00 53.41 C ATOM 1473 O HIS A 106 -2.227 -10.644 -2.913 1.00 52.78 O ATOM 1474 CB HIS A 106 -0.370 -12.972 -2.790 1.00 54.28 C ATOM 1475 CG HIS A 106 0.592 -14.008 -2.303 1.00 57.02 C ATOM 1476 ND1 HIS A 106 1.513 -14.613 -3.129 1.00 60.81 N ATOM 1477 CD2 HIS A 106 0.770 -14.556 -1.078 1.00 59.29 C ATOM 1478 CE1 HIS A 106 2.223 -15.485 -2.433 1.00 62.55 C ATOM 1479 NE2 HIS A 106 1.794 -15.466 -1.184 1.00 61.12 N ATOM 1480 HA HIS A 106 0.881 -11.308 -2.212 1.00 0.00 H ATOM 1481 HB2 HIS A 106 -1.382 -13.310 -2.565 1.00 0.00 H ATOM 1482 HB3 HIS A 106 -0.253 -12.875 -3.869 1.00 0.00 H ATOM 1483 HD2 HIS A 106 0.206 -14.319 -0.176 1.00 0.00 H ATOM 1484 HE1 HIS A 106 3.025 -16.112 -2.823 1.00 0.00 H ATOM 1485 H HIS A 106 -1.502 -11.922 -0.477 1.00 0.00 H ATOM 1486 N PHE A 107 -0.310 -9.633 -3.573 1.00 54.12 N ATOM 1487 CA PHE A 107 -0.977 -8.626 -4.405 1.00 56.53 C ATOM 1488 C PHE A 107 -0.910 -8.914 -5.918 1.00 60.63 C ATOM 1489 O PHE A 107 -1.495 -8.177 -6.721 1.00 61.71 O ATOM 1490 CB PHE A 107 -0.442 -7.220 -4.093 1.00 54.43 C ATOM 1491 CG PHE A 107 -0.991 -6.632 -2.827 1.00 50.60 C ATOM 1492 CD1 PHE A 107 -2.065 -5.738 -2.869 1.00 49.19 C ATOM 1493 CD2 PHE A 107 -0.439 -6.956 -1.589 1.00 47.16 C ATOM 1494 CE1 PHE A 107 -2.583 -5.174 -1.693 1.00 47.23 C ATOM 1495 CE2 PHE A 107 -0.959 -6.399 -0.402 1.00 46.38 C ATOM 1496 CZ PHE A 107 -2.028 -5.514 -0.456 1.00 44.81 C ATOM 1497 HA PHE A 107 -2.033 -8.678 -4.142 1.00 0.00 H ATOM 1498 HB2 PHE A 107 0.643 -7.276 -4.004 1.00 0.00 H ATOM 1499 HB3 PHE A 107 -0.704 -6.561 -4.921 1.00 0.00 H ATOM 1500 HD2 PHE A 107 0.403 -7.647 -1.538 1.00 0.00 H ATOM 1501 HE2 PHE A 107 -0.521 -6.664 0.560 1.00 0.00 H ATOM 1502 HZ PHE A 107 -2.432 -5.087 0.462 1.00 0.00 H ATOM 1503 HE1 PHE A 107 -3.416 -4.473 -1.744 1.00 0.00 H ATOM 1504 HD1 PHE A 107 -2.507 -5.475 -3.830 1.00 0.00 H ATOM 1505 H PHE A 107 0.727 -9.613 -3.490 1.00 0.00 H ATOM 1506 N GLU A 108 -0.194 -9.966 -6.311 1.00 64.62 N ATOM 1507 CA GLU A 108 -0.191 -10.378 -7.719 1.00 69.95 C ATOM 1508 C GLU A 108 -1.516 -11.068 -8.054 1.00 72.20 C ATOM 1509 O GLU A 108 -2.105 -11.758 -7.211 1.00 72.53 O ATOM 1510 CB GLU A 108 1.042 -11.225 -8.095 1.00 70.79 C ATOM 1511 CG GLU A 108 1.129 -12.614 -7.475 1.00 73.24 C ATOM 1512 CD GLU A 108 1.633 -12.607 -6.036 1.00 77.01 C ATOM 1513 OE1 GLU A 108 1.899 -13.711 -5.509 1.00 78.30 O ATOM 1514 OE2 GLU A 108 1.756 -11.514 -5.427 1.00 76.50 O ATOM 1515 HA GLU A 108 -0.106 -9.484 -8.337 1.00 0.00 H ATOM 1516 HB2 GLU A 108 1.043 -11.345 -9.178 1.00 0.00 H ATOM 1517 HB3 GLU A 108 1.930 -10.670 -7.791 1.00 0.00 H ATOM 1518 HG2 GLU A 108 0.135 -13.062 -7.491 1.00 0.00 H ATOM 1519 HG3 GLU A 108 1.808 -13.218 -8.076 1.00 0.00 H ATOM 1520 H GLU A 108 0.366 -10.499 -5.615 1.00 0.00 H ATOM 1521 N GLY A 109 -1.990 -10.863 -9.278 1.00 75.43 N ATOM 1522 CA GLY A 109 -3.356 -11.251 -9.633 1.00 77.76 C ATOM 1523 C GLY A 109 -4.298 -10.114 -9.275 1.00 78.05 C ATOM 1524 O GLY A 109 -3.850 -9.022 -8.902 1.00 77.84 O ATOM 1525 HA3 GLY A 109 -3.637 -12.148 -9.081 1.00 0.00 H ATOM 1526 HA2 GLY A 109 -3.414 -11.452 -10.703 1.00 0.00 H ATOM 1527 H GLY A 109 -1.381 -10.420 -9.995 1.00 0.00 H ATOM 1528 N SER A 110 -5.601 -10.358 -9.391 1.00 78.93 N ATOM 1529 CA SER A 110 -6.586 -9.327 -9.062 1.00 78.52 C ATOM 1530 C SER A 110 -6.836 -9.289 -7.551 1.00 76.32 C ATOM 1531 O SER A 110 -6.992 -10.331 -6.905 1.00 76.09 O ATOM 1532 CB SER A 110 -7.891 -9.515 -9.851 1.00 80.19 C ATOM 1533 OG SER A 110 -8.657 -10.590 -9.334 1.00 80.96 O ATOM 1534 HA SER A 110 -6.177 -8.362 -9.360 1.00 0.00 H ATOM 1535 HB2 SER A 110 -7.649 -9.721 -10.894 1.00 0.00 H ATOM 1536 HB3 SER A 110 -8.478 -8.599 -9.790 1.00 0.00 H ATOM 1537 HG SER A 110 -8.884 -10.407 -8.388 1.00 0.00 H ATOM 1538 H SER A 110 -5.923 -11.291 -9.719 1.00 0.00 H ATOM 1539 N GLY A 111 -6.854 -8.076 -7.002 1.00 74.87 N ATOM 1540 CA GLY A 111 -7.007 -7.862 -5.566 1.00 71.58 C ATOM 1541 C GLY A 111 -5.808 -8.324 -4.752 1.00 69.22 C ATOM 1542 O GLY A 111 -4.656 -8.080 -5.118 1.00 68.96 O ATOM 1543 HA3 GLY A 111 -7.886 -8.410 -5.227 1.00 0.00 H ATOM 1544 HA2 GLY A 111 -7.154 -6.796 -5.390 1.00 0.00 H ATOM 1545 H GLY A 111 -6.755 -7.247 -7.622 1.00 0.00 H ATOM 1546 N ALA A 112 -6.093 -8.989 -3.637 1.00 66.80 N ATOM 1547 CA ALA A 112 -5.061 -9.474 -2.733 1.00 64.86 C ATOM 1548 C ALA A 112 -5.587 -10.642 -1.929 1.00 64.07 C ATOM 1549 O ALA A 112 -6.733 -10.629 -1.480 1.00 63.94 O ATOM 1550 CB ALA A 112 -4.593 -8.366 -1.806 1.00 63.56 C ATOM 1551 HA ALA A 112 -4.208 -9.805 -3.326 1.00 0.00 H ATOM 1552 HB1 ALA A 112 -4.186 -7.546 -2.398 1.00 0.00 H ATOM 1553 HB2 ALA A 112 -5.437 -8.006 -1.217 1.00 0.00 H ATOM 1554 HB3 ALA A 112 -3.822 -8.753 -1.140 1.00 0.00 H ATOM 1555 H ALA A 112 -7.090 -9.169 -3.402 1.00 0.00 H ATOM 1556 N GLN A 113 -4.747 -11.652 -1.755 1.00 63.44 N ATOM 1557 CA GLN A 113 -5.123 -12.834 -0.993 1.00 63.24 C ATOM 1558 C GLN A 113 -4.162 -13.087 0.168 1.00 61.43 C ATOM 1559 O GLN A 113 -2.950 -12.862 0.051 1.00 60.72 O ATOM 1560 CB GLN A 113 -5.214 -14.060 -1.910 1.00 64.92 C ATOM 1561 CG GLN A 113 -5.898 -15.288 -1.250 1.00 67.95 C ATOM 1562 CD GLN A 113 -7.038 -15.863 -2.085 1.00 72.80 C ATOM 1563 OE1 GLN A 113 -7.128 -17.078 -2.286 1.00 75.30 O ATOM 1564 NE2 GLN A 113 -7.920 -14.986 -2.572 1.00 74.40 N ATOM 1565 HA GLN A 113 -6.108 -12.652 -0.563 1.00 0.00 H ATOM 1566 HB2 GLN A 113 -5.784 -13.784 -2.797 1.00 0.00 H ATOM 1567 HB3 GLN A 113 -4.204 -14.346 -2.203 1.00 0.00 H ATOM 1568 HG2 GLN A 113 -5.148 -16.066 -1.105 1.00 0.00 H ATOM 1569 HG3 GLN A 113 -6.297 -14.984 -0.282 1.00 0.00 H ATOM 1570 HE22 GLN A 113 -7.805 -13.971 -2.378 1.00 0.00 H ATOM 1571 HE21 GLN A 113 -8.721 -15.318 -3.145 1.00 0.00 H ATOM 1572 H GLN A 113 -3.796 -11.599 -2.173 1.00 0.00 H ATOM 1573 N VAL A 114 -4.721 -13.537 1.288 1.00 59.89 N ATOM 1574 CA VAL A 114 -3.929 -13.949 2.438 1.00 59.24 C ATOM 1575 C VAL A 114 -3.702 -15.451 2.346 1.00 60.69 C ATOM 1576 O VAL A 114 -4.635 -16.213 2.077 1.00 61.02 O ATOM 1577 CB VAL A 114 -4.623 -13.628 3.775 1.00 58.36 C ATOM 1578 CG1 VAL A 114 -3.722 -14.016 4.963 1.00 57.44 C ATOM 1579 CG2 VAL A 114 -5.014 -12.155 3.839 1.00 57.26 C ATOM 1580 HA VAL A 114 -2.989 -13.398 2.418 1.00 0.00 H ATOM 1581 HB VAL A 114 -5.536 -14.220 3.839 1.00 0.00 H ATOM 1582 HG11 VAL A 114 -3.510 -15.084 4.923 1.00 0.00 H ATOM 1583 HG12 VAL A 114 -2.788 -13.457 4.907 1.00 0.00 H ATOM 1584 HG13 VAL A 114 -4.233 -13.780 5.897 1.00 0.00 H ATOM 1585 HG21 VAL A 114 -4.120 -11.539 3.749 1.00 0.00 H ATOM 1586 HG22 VAL A 114 -5.698 -11.926 3.022 1.00 0.00 H ATOM 1587 HG23 VAL A 114 -5.502 -11.951 4.792 1.00 0.00 H ATOM 1588 H VAL A 114 -5.758 -13.596 1.344 1.00 0.00 H ATOM 1589 N VAL A 115 -2.460 -15.861 2.574 1.00 60.97 N ATOM 1590 CA VAL A 115 -2.045 -17.249 2.458 1.00 62.73 C ATOM 1591 C VAL A 115 -1.338 -17.639 3.757 1.00 63.33 C ATOM 1592 O VAL A 115 -0.552 -16.862 4.309 1.00 62.00 O ATOM 1593 CB VAL A 115 -1.101 -17.444 1.230 1.00 63.38 C ATOM 1594 CG1 VAL A 115 -0.426 -18.797 1.263 1.00 65.23 C ATOM 1595 CG2 VAL A 115 -1.869 -17.282 -0.076 1.00 64.21 C ATOM 1596 HA VAL A 115 -2.914 -17.888 2.300 1.00 0.00 H ATOM 1597 HB VAL A 115 -0.332 -16.674 1.287 1.00 0.00 H ATOM 1598 HG11 VAL A 115 0.167 -18.884 2.173 1.00 0.00 H ATOM 1599 HG12 VAL A 115 -1.184 -19.580 1.246 1.00 0.00 H ATOM 1600 HG13 VAL A 115 0.224 -18.899 0.394 1.00 0.00 H ATOM 1601 HG21 VAL A 115 -2.665 -18.026 -0.123 1.00 0.00 H ATOM 1602 HG22 VAL A 115 -2.301 -16.282 -0.120 1.00 0.00 H ATOM 1603 HG23 VAL A 115 -1.189 -17.423 -0.916 1.00 0.00 H ATOM 1604 H VAL A 115 -1.749 -15.154 2.849 1.00 0.00 H ATOM 1605 N GLY A 116 -1.626 -18.839 4.252 1.00 64.94 N ATOM 1606 CA GLY A 116 -0.990 -19.324 5.470 1.00 66.87 C ATOM 1607 C GLY A 116 0.451 -19.751 5.247 1.00 69.14 C ATOM 1608 O GLY A 116 0.953 -19.711 4.123 1.00 70.05 O ATOM 1609 HA3 GLY A 116 -1.554 -20.179 5.842 1.00 0.00 H ATOM 1610 HA2 GLY A 116 -1.007 -18.528 6.214 1.00 0.00 H ATOM 1611 H GLY A 116 -2.317 -19.442 3.761 1.00 0.00 H ATOM 1612 N PRO A 117 1.130 -20.183 6.321 1.00 70.57 N ATOM 1613 CA PRO A 117 2.507 -20.678 6.199 1.00 72.99 C ATOM 1614 C PRO A 117 2.612 -22.026 5.465 1.00 75.86 C ATOM 1615 O PRO A 117 3.698 -22.403 5.023 1.00 77.16 O ATOM 1616 CB PRO A 117 2.957 -20.820 7.654 1.00 72.92 C ATOM 1617 CG PRO A 117 1.688 -20.985 8.430 1.00 70.99 C ATOM 1618 CD PRO A 117 0.640 -20.212 7.712 1.00 69.48 C ATOM 1619 HA PRO A 117 3.122 -20.003 5.604 1.00 0.00 H ATOM 1620 HD3 PRO A 117 -0.326 -20.712 7.775 1.00 0.00 H ATOM 1621 HD2 PRO A 117 0.553 -19.204 8.116 1.00 0.00 H ATOM 1622 HG3 PRO A 117 1.813 -20.598 9.441 1.00 0.00 H ATOM 1623 HG2 PRO A 117 1.411 -22.038 8.477 1.00 0.00 H ATOM 1624 HB2 PRO A 117 3.598 -21.693 7.775 1.00 0.00 H ATOM 1625 HB3 PRO A 117 3.494 -19.929 7.979 1.00 0.00 H ATOM 1626 N MET A 118 1.492 -22.732 5.341 1.00 77.53 N ATOM 1627 CA MET A 118 1.435 -24.001 4.608 1.00 81.10 C ATOM 1628 C MET A 118 1.194 -23.808 3.103 1.00 82.06 C ATOM 1629 O MET A 118 1.252 -24.772 2.330 1.00 83.41 O ATOM 1630 CB MET A 118 0.380 -24.945 5.221 1.00 81.82 C ATOM 1631 CG MET A 118 -1.085 -24.439 5.220 1.00 83.28 C ATOM 1632 SD MET A 118 -1.408 -22.887 6.107 1.00 85.86 S ATOM 1633 CE MET A 118 -3.190 -22.965 6.298 1.00 85.14 C ATOM 1634 HA MET A 118 2.416 -24.465 4.709 1.00 0.00 H ATOM 1635 HB2 MET A 118 0.408 -25.881 4.662 1.00 0.00 H ATOM 1636 HB3 MET A 118 0.665 -25.133 6.256 1.00 0.00 H ATOM 1637 HG2 MET A 118 -1.704 -25.214 5.672 1.00 0.00 H ATOM 1638 HG3 MET A 118 -1.385 -24.296 4.182 1.00 0.00 H ATOM 1639 HE1 MET A 118 -3.658 -23.010 5.315 1.00 0.00 H ATOM 1640 HE2 MET A 118 -3.454 -23.855 6.868 1.00 0.00 H ATOM 1641 HE3 MET A 118 -3.537 -22.077 6.827 1.00 0.00 H ATOM 1642 H MET A 118 0.622 -22.370 5.781 1.00 0.00 H ATOM 1643 N GLY A 119 0.929 -22.562 2.703 1.00 81.64 N ATOM 1644 CA GLY A 119 0.645 -22.219 1.312 1.00 82.64 C ATOM 1645 C GLY A 119 -0.827 -22.311 0.953 1.00 83.25 C ATOM 1646 O GLY A 119 -1.189 -22.197 -0.219 1.00 83.96 O ATOM 1647 HA3 GLY A 119 1.201 -22.901 0.668 1.00 0.00 H ATOM 1648 HA2 GLY A 119 0.981 -21.198 1.133 1.00 0.00 H ATOM 1649 H GLY A 119 0.925 -21.802 3.413 1.00 0.00 H ATOM 1650 N GLN A 120 -1.678 -22.515 1.956 1.00 83.38 N ATOM 1651 CA GLN A 120 -3.123 -22.620 1.733 1.00 84.77 C ATOM 1652 C GLN A 120 -3.830 -21.262 1.877 1.00 84.10 C ATOM 1653 O GLN A 120 -3.694 -20.597 2.912 1.00 82.77 O ATOM 1654 CB GLN A 120 -3.741 -23.654 2.674 1.00 85.14 C ATOM 1655 CG GLN A 120 -3.451 -25.102 2.288 1.00 88.35 C ATOM 1656 CD GLN A 120 -3.705 -26.090 3.422 1.00 90.65 C ATOM 1657 OE1 GLN A 120 -4.347 -25.767 4.430 1.00 89.83 O ATOM 1658 NE2 GLN A 120 -3.193 -27.304 3.262 1.00 92.29 N ATOM 1659 HA GLN A 120 -3.268 -22.952 0.705 1.00 0.00 H ATOM 1660 HB2 GLN A 120 -3.349 -23.482 3.676 1.00 0.00 H ATOM 1661 HB3 GLN A 120 -4.822 -23.511 2.678 1.00 0.00 H ATOM 1662 HG2 GLN A 120 -4.088 -25.370 1.445 1.00 0.00 H ATOM 1663 HG3 GLN A 120 -2.405 -25.178 1.990 1.00 0.00 H ATOM 1664 HE22 GLN A 120 -2.660 -27.534 2.399 1.00 0.00 H ATOM 1665 HE21 GLN A 120 -3.325 -28.025 3.999 1.00 0.00 H ATOM 1666 H GLN A 120 -1.308 -22.602 2.924 1.00 0.00 H ATOM 1667 N PRO A 121 -4.585 -20.845 0.834 1.00 85.08 N ATOM 1668 CA PRO A 121 -5.242 -19.529 0.816 1.00 84.75 C ATOM 1669 C PRO A 121 -6.333 -19.373 1.883 1.00 84.64 C ATOM 1670 O PRO A 121 -7.253 -20.190 1.946 1.00 85.49 O ATOM 1671 CB PRO A 121 -5.851 -19.457 -0.596 1.00 85.57 C ATOM 1672 CG PRO A 121 -5.080 -20.446 -1.403 1.00 86.48 C ATOM 1673 CD PRO A 121 -4.769 -21.556 -0.446 1.00 86.52 C ATOM 1674 HA PRO A 121 -4.535 -18.730 1.040 1.00 0.00 H ATOM 1675 HD3 PRO A 121 -5.594 -22.265 -0.386 1.00 0.00 H ATOM 1676 HD2 PRO A 121 -3.860 -22.082 -0.737 1.00 0.00 H ATOM 1677 HG3 PRO A 121 -4.162 -19.999 -1.785 1.00 0.00 H ATOM 1678 HG2 PRO A 121 -5.679 -20.813 -2.237 1.00 0.00 H ATOM 1679 HB2 PRO A 121 -6.908 -19.723 -0.571 1.00 0.00 H ATOM 1680 HB3 PRO A 121 -5.740 -18.455 -1.010 1.00 0.00 H ATOM 1681 N LEU A 122 -6.212 -18.332 2.710 1.00 83.74 N ATOM 1682 CA LEU A 122 -7.213 -17.984 3.731 1.00 83.54 C ATOM 1683 C LEU A 122 -8.173 -16.914 3.207 1.00 84.16 C ATOM 1684 O LEU A 122 -7.788 -16.070 2.388 1.00 84.24 O ATOM 1685 CB LEU A 122 -6.526 -17.491 5.005 1.00 82.02 C ATOM 1686 CG LEU A 122 -5.500 -18.434 5.632 1.00 82.08 C ATOM 1687 CD1 LEU A 122 -4.577 -17.671 6.567 1.00 80.63 C ATOM 1688 CD2 LEU A 122 -6.192 -19.589 6.359 1.00 81.80 C ATOM 1689 HA LEU A 122 -7.787 -18.881 3.963 1.00 0.00 H ATOM 1690 HB2 LEU A 122 -6.017 -16.557 4.767 1.00 0.00 H ATOM 1691 HB3 LEU A 122 -7.301 -17.302 5.748 1.00 0.00 H ATOM 1692 HG LEU A 122 -4.894 -18.862 4.833 1.00 0.00 H ATOM 1693 HD21 LEU A 122 -6.830 -19.190 7.148 1.00 0.00 H ATOM 1694 HD22 LEU A 122 -6.798 -20.152 5.649 1.00 0.00 H ATOM 1695 HD23 LEU A 122 -5.439 -20.245 6.796 1.00 0.00 H ATOM 1696 HD11 LEU A 122 -4.052 -16.898 6.006 1.00 0.00 H ATOM 1697 HD12 LEU A 122 -5.166 -17.210 7.360 1.00 0.00 H ATOM 1698 HD13 LEU A 122 -3.854 -18.360 7.003 1.00 0.00 H ATOM 1699 H LEU A 122 -5.365 -17.735 2.628 1.00 0.00 H ATOM 1700 N GLN A 123 -9.420 -16.949 3.675 1.00 72.93 N ATOM 1701 CA GLN A 123 -10.450 -16.027 3.167 1.00 74.06 C ATOM 1702 C GLN A 123 -11.377 -15.418 4.245 1.00 73.87 C ATOM 1703 O GLN A 123 -11.320 -15.788 5.430 1.00 73.12 O ATOM 1704 CB GLN A 123 -11.276 -16.682 2.032 1.00 74.49 C ATOM 1705 CG GLN A 123 -10.533 -16.858 0.686 1.00 77.14 C ATOM 1706 CD GLN A 123 -11.466 -16.853 -0.533 1.00 80.72 C ATOM 1707 OE1 GLN A 123 -12.665 -17.138 -0.423 1.00 82.13 O ATOM 1708 NE2 GLN A 123 -10.914 -16.522 -1.699 1.00 80.67 N ATOM 1709 HA GLN A 123 -9.891 -15.181 2.768 1.00 0.00 H ATOM 1710 HB2 GLN A 123 -11.593 -17.668 2.373 1.00 0.00 H ATOM 1711 HB3 GLN A 123 -12.154 -16.061 1.853 1.00 0.00 H ATOM 1712 HG2 GLN A 123 -9.818 -16.043 0.577 1.00 0.00 H ATOM 1713 HG3 GLN A 123 -9.999 -17.808 0.708 1.00 0.00 H ATOM 1714 HE22 GLN A 123 -9.902 -16.289 -1.748 1.00 0.00 H ATOM 1715 HE21 GLN A 123 -11.495 -16.496 -2.561 1.00 0.00 H ATOM 1716 H GLN A 123 -9.670 -17.639 4.412 1.00 0.00 H ATOM 1717 N VAL A 124 -12.215 -14.474 3.801 1.00 74.00 N ATOM 1718 CA VAL A 124 -13.197 -13.800 4.643 1.00 73.82 C ATOM 1719 HA VAL A 124 -13.885 -14.537 5.057 1.00 0.00 H ATOM 1720 H VAL A 124 -12.163 -14.205 2.798 1.00 0.00 H TER 1721 VAL A 124 ATOM 1722 N GLU B 11 16.405 5.722 13.028 1.00 63.54 N ATOM 1723 CA GLU B 11 15.021 5.300 13.397 1.00 62.05 C ATOM 1724 C GLU B 11 14.147 5.074 12.148 1.00 59.80 C ATOM 1725 O GLU B 11 13.468 5.993 11.684 1.00 59.84 O ATOM 1726 CB GLU B 11 14.380 6.336 14.339 1.00 62.43 C ATOM 1727 HA GLU B 11 15.088 4.347 13.922 1.00 0.00 H ATOM 1728 HB2 GLU B 11 14.980 6.422 15.245 1.00 0.00 H ATOM 1729 HB3 GLU B 11 14.336 7.303 13.838 1.00 0.00 H ATOM 1730 HN3 GLU B 11 16.363 6.611 12.490 1.00 0.00 H ATOM 1731 HN2 GLU B 11 16.848 4.983 12.445 1.00 0.00 H ATOM 1732 HN1 GLU B 11 16.965 5.865 13.893 1.00 0.00 H ATOM 1733 N PRO B 12 14.177 3.851 11.585 1.00 57.92 N ATOM 1734 CA PRO B 12 13.292 3.567 10.466 1.00 54.93 C ATOM 1735 C PRO B 12 11.903 3.169 10.970 1.00 51.86 C ATOM 1736 O PRO B 12 11.740 2.929 12.176 1.00 51.56 O ATOM 1737 CB PRO B 12 13.978 2.379 9.784 1.00 55.39 C ATOM 1738 CG PRO B 12 14.638 1.646 10.898 1.00 57.71 C ATOM 1739 CD PRO B 12 15.034 2.694 11.920 1.00 59.29 C ATOM 1740 HA PRO B 12 13.141 4.419 9.803 1.00 0.00 H ATOM 1741 HD3 PRO B 12 14.836 2.344 12.933 1.00 0.00 H ATOM 1742 HD2 PRO B 12 16.089 2.951 11.825 1.00 0.00 H ATOM 1743 HG3 PRO B 12 15.521 1.121 10.534 1.00 0.00 H ATOM 1744 HG2 PRO B 12 13.947 0.929 11.341 1.00 0.00 H ATOM 1745 HB2 PRO B 12 13.246 1.745 9.284 1.00 0.00 H ATOM 1746 HB3 PRO B 12 14.715 2.723 9.058 1.00 0.00 H ATOM 1747 N PRO B 13 10.905 3.105 10.062 1.00 48.53 N ATOM 1748 CA PRO B 13 9.626 2.542 10.471 1.00 46.25 C ATOM 1749 C PRO B 13 9.783 1.055 10.788 1.00 45.46 C ATOM 1750 O PRO B 13 10.807 0.464 10.444 1.00 44.91 O ATOM 1751 CB PRO B 13 8.728 2.754 9.245 1.00 45.45 C ATOM 1752 CG PRO B 13 9.628 3.000 8.114 1.00 46.17 C ATOM 1753 CD PRO B 13 10.898 3.554 8.657 1.00 47.96 C ATOM 1754 HA PRO B 13 9.218 3.004 11.370 1.00 0.00 H ATOM 1755 HD3 PRO B 13 11.758 3.156 8.118 1.00 0.00 H ATOM 1756 HD2 PRO B 13 10.905 4.642 8.597 1.00 0.00 H ATOM 1757 HG3 PRO B 13 9.175 3.715 7.427 1.00 0.00 H ATOM 1758 HG2 PRO B 13 9.825 2.067 7.587 1.00 0.00 H ATOM 1759 HB2 PRO B 13 8.124 1.866 9.061 1.00 0.00 H ATOM 1760 HB3 PRO B 13 8.073 3.611 9.400 1.00 0.00 H ATOM 1761 N PRO B 14 8.786 0.449 11.453 1.00 45.03 N ATOM 1762 CA PRO B 14 8.891 -0.992 11.693 1.00 45.23 C ATOM 1763 C PRO B 14 8.763 -1.802 10.400 1.00 44.75 C ATOM 1764 O PRO B 14 8.274 -1.286 9.383 1.00 43.39 O ATOM 1765 CB PRO B 14 7.707 -1.281 12.625 1.00 45.67 C ATOM 1766 CG PRO B 14 6.758 -0.168 12.424 1.00 44.99 C ATOM 1767 CD PRO B 14 7.567 1.032 12.051 1.00 44.73 C ATOM 1768 HA PRO B 14 9.858 -1.270 12.111 1.00 0.00 H ATOM 1769 HD3 PRO B 14 7.036 1.652 11.329 1.00 0.00 H ATOM 1770 HD2 PRO B 14 7.810 1.628 12.931 1.00 0.00 H ATOM 1771 HG3 PRO B 14 6.205 0.024 13.343 1.00 0.00 H ATOM 1772 HG2 PRO B 14 6.058 -0.412 11.625 1.00 0.00 H ATOM 1773 HB2 PRO B 14 7.240 -2.231 12.363 1.00 0.00 H ATOM 1774 HB3 PRO B 14 8.039 -1.315 13.663 1.00 0.00 H ATOM 1775 N GLU B 15 9.199 -3.059 10.435 1.00 44.67 N ATOM 1776 CA GLU B 15 8.926 -3.974 9.339 1.00 43.93 C ATOM 1777 C GLU B 15 7.437 -4.304 9.317 1.00 42.37 C ATOM 1778 O GLU B 15 6.795 -4.312 10.351 1.00 42.35 O ATOM 1779 CB GLU B 15 9.742 -5.252 9.496 1.00 45.36 C ATOM 1780 CG GLU B 15 11.262 -5.049 9.435 1.00 49.20 C ATOM 1781 CD GLU B 15 12.032 -6.364 9.587 1.00 56.02 C ATOM 1782 OE1 GLU B 15 12.996 -6.583 8.814 1.00 58.63 O ATOM 1783 OE2 GLU B 15 11.651 -7.189 10.455 1.00 58.04 O ATOM 1784 HA GLU B 15 9.208 -3.500 8.399 1.00 0.00 H ATOM 1785 HB2 GLU B 15 9.496 -5.697 10.460 1.00 0.00 H ATOM 1786 HB3 GLU B 15 9.458 -5.938 8.698 1.00 0.00 H ATOM 1787 HG2 GLU B 15 11.518 -4.602 8.474 1.00 0.00 H ATOM 1788 HG3 GLU B 15 11.558 -4.374 10.238 1.00 0.00 H ATOM 1789 H GLU B 15 9.742 -3.391 11.257 1.00 0.00 H ATOM 1790 N PRO B 16 6.867 -4.571 8.137 1.00 41.12 N ATOM 1791 CA PRO B 16 7.505 -4.595 6.842 1.00 40.70 C ATOM 1792 C PRO B 16 7.780 -3.182 6.341 1.00 39.75 C ATOM 1793 O PRO B 16 6.951 -2.296 6.490 1.00 38.70 O ATOM 1794 CB PRO B 16 6.469 -5.290 5.949 1.00 40.42 C ATOM 1795 CG PRO B 16 5.171 -5.059 6.597 1.00 40.95 C ATOM 1796 CD PRO B 16 5.416 -4.806 8.060 1.00 40.53 C ATOM 1797 HA PRO B 16 8.470 -5.101 6.856 1.00 0.00 H ATOM 1798 HD3 PRO B 16 4.862 -3.932 8.401 1.00 0.00 H ATOM 1799 HD2 PRO B 16 5.130 -5.672 8.657 1.00 0.00 H ATOM 1800 HG3 PRO B 16 4.536 -5.936 6.475 1.00 0.00 H ATOM 1801 HG2 PRO B 16 4.683 -4.193 6.149 1.00 0.00 H ATOM 1802 HB2 PRO B 16 6.477 -4.858 4.948 1.00 0.00 H ATOM 1803 HB3 PRO B 16 6.677 -6.358 5.884 1.00 0.00 H ATOM 1804 N ARG B 17 8.951 -2.976 5.761 1.00 39.87 N ATOM 1805 CA ARG B 17 9.281 -1.675 5.225 1.00 39.75 C ATOM 1806 C ARG B 17 10.043 -1.845 3.939 1.00 40.48 C ATOM 1807 O ARG B 17 10.652 -2.905 3.699 1.00 40.72 O ATOM 1808 CB ARG B 17 10.112 -0.864 6.227 1.00 40.51 C ATOM 1809 CG ARG B 17 11.445 -1.482 6.597 1.00 44.07 C ATOM 1810 CD ARG B 17 12.119 -0.641 7.657 1.00 47.50 C ATOM 1811 NE ARG B 17 13.339 -1.284 8.099 1.00 53.01 N ATOM 1812 CZ ARG B 17 13.537 -1.785 9.313 1.00 54.65 C ATOM 1813 NH1 ARG B 17 12.606 -1.701 10.253 1.00 53.25 N ATOM 1814 NH2 ARG B 17 14.696 -2.356 9.588 1.00 59.10 N ATOM 1815 HA ARG B 17 8.357 -1.129 5.034 1.00 0.00 H ATOM 1816 HB2 ARG B 17 10.302 0.118 5.794 1.00 0.00 H ATOM 1817 HB3 ARG B 17 9.526 -0.750 7.139 1.00 0.00 H ATOM 1818 HG2 ARG B 17 11.284 -2.489 6.981 1.00 0.00 H ATOM 1819 HG3 ARG B 17 12.081 -1.529 5.713 1.00 0.00 H ATOM 1820 HD2 ARG B 17 11.446 -0.522 8.506 1.00 0.00 H ATOM 1821 HD3 ARG B 17 12.357 0.339 7.243 1.00 0.00 H ATOM 1822 HE ARG B 17 14.118 -1.359 7.415 1.00 0.00 H ATOM 1823 HH12 ARG B 17 12.783 -2.100 11.197 1.00 0.00 H ATOM 1824 HH11 ARG B 17 11.699 -1.236 10.047 1.00 0.00 H ATOM 1825 HH22 ARG B 17 14.868 -2.754 10.533 1.00 0.00 H ATOM 1826 HH21 ARG B 17 15.436 -2.408 8.859 1.00 0.00 H ATOM 1827 H ARG B 17 9.637 -3.754 5.690 1.00 0.00 H ATOM 1828 N ILE B 18 10.014 -0.803 3.115 1.00 40.18 N ATOM 1829 CA ILE B 18 10.739 -0.801 1.846 1.00 41.63 C ATOM 1830 C ILE B 18 11.204 0.613 1.525 1.00 41.76 C ATOM 1831 O ILE B 18 10.514 1.593 1.838 1.00 40.31 O ATOM 1832 CB ILE B 18 9.860 -1.341 0.687 1.00 42.03 C ATOM 1833 CG1 ILE B 18 10.651 -1.453 -0.615 1.00 44.35 C ATOM 1834 CG2 ILE B 18 8.611 -0.485 0.491 1.00 40.98 C ATOM 1835 CD1 ILE B 18 9.851 -2.129 -1.723 1.00 50.14 C ATOM 1836 HA ILE B 18 11.601 -1.460 1.948 1.00 0.00 H ATOM 1837 HB ILE B 18 9.540 -2.344 0.968 1.00 0.00 H ATOM 1838 HG12 ILE B 18 10.929 -0.452 -0.944 1.00 0.00 H ATOM 1839 HG13 ILE B 18 11.553 -2.036 -0.428 1.00 0.00 H ATOM 1840 HD11 ILE B 18 9.575 -3.135 -1.408 1.00 0.00 H ATOM 1841 HD12 ILE B 18 8.950 -1.550 -1.924 1.00 0.00 H ATOM 1842 HD13 ILE B 18 10.458 -2.184 -2.626 1.00 0.00 H ATOM 1843 HG21 ILE B 18 8.020 -0.492 1.407 1.00 0.00 H ATOM 1844 HG22 ILE B 18 8.906 0.537 0.255 1.00 0.00 H ATOM 1845 HG23 ILE B 18 8.018 -0.892 -0.328 1.00 0.00 H ATOM 1846 H ILE B 18 9.459 0.036 3.381 1.00 0.00 H ATOM 1847 N THR B 19 12.361 0.700 0.877 1.00 42.65 N ATOM 1848 CA THR B 19 12.900 1.970 0.438 1.00 44.07 C ATOM 1849 C THR B 19 12.718 2.115 -1.067 1.00 44.00 C ATOM 1850 O THR B 19 13.206 1.282 -1.827 1.00 44.44 O ATOM 1851 CB THR B 19 14.374 2.079 0.822 1.00 45.05 C ATOM 1852 OG1 THR B 19 14.486 1.939 2.242 1.00 45.74 O ATOM 1853 CG2 THR B 19 14.952 3.446 0.389 1.00 46.00 C ATOM 1854 HA THR B 19 12.361 2.779 0.932 1.00 0.00 H ATOM 1855 HB THR B 19 14.937 1.294 0.317 1.00 0.00 H ATOM 1856 HG1 THR B 19 13.967 2.656 2.685 1.00 0.00 H ATOM 1857 HG23 THR B 19 14.865 3.550 -0.693 1.00 0.00 H ATOM 1858 HG21 THR B 19 14.395 4.246 0.878 1.00 0.00 H ATOM 1859 HG22 THR B 19 16.001 3.503 0.678 1.00 0.00 H ATOM 1860 H THR B 19 12.895 -0.170 0.679 1.00 0.00 H ATOM 1861 N LEU B 20 11.998 3.162 -1.480 1.00 43.74 N ATOM 1862 CA LEU B 20 11.765 3.471 -2.904 1.00 43.89 C ATOM 1863 C LEU B 20 12.230 4.889 -3.244 1.00 44.25 C ATOM 1864 O LEU B 20 12.073 5.804 -2.431 1.00 43.13 O ATOM 1865 CB LEU B 20 10.268 3.378 -3.250 1.00 43.39 C ATOM 1866 CG LEU B 20 9.469 2.066 -3.166 1.00 44.61 C ATOM 1867 CD1 LEU B 20 8.024 2.348 -3.571 1.00 45.62 C ATOM 1868 CD2 LEU B 20 10.071 0.983 -4.056 1.00 47.41 C ATOM 1869 HA LEU B 20 12.333 2.741 -3.480 1.00 0.00 H ATOM 1870 HB2 LEU B 20 9.762 4.081 -2.588 1.00 0.00 H ATOM 1871 HB3 LEU B 20 10.176 3.721 -4.281 1.00 0.00 H ATOM 1872 HG LEU B 20 9.506 1.695 -2.142 1.00 0.00 H ATOM 1873 HD21 LEU B 20 10.068 1.322 -5.092 1.00 0.00 H ATOM 1874 HD22 LEU B 20 11.095 0.783 -3.741 1.00 0.00 H ATOM 1875 HD23 LEU B 20 9.479 0.072 -3.969 1.00 0.00 H ATOM 1876 HD11 LEU B 20 7.596 3.088 -2.894 1.00 0.00 H ATOM 1877 HD12 LEU B 20 8.002 2.732 -4.591 1.00 0.00 H ATOM 1878 HD13 LEU B 20 7.446 1.426 -3.516 1.00 0.00 H ATOM 1879 H LEU B 20 11.582 3.790 -0.763 1.00 0.00 H ATOM 1880 N LYS B 21 12.758 5.079 -4.453 1.00 44.94 N ATOM 1881 CA LYS B 21 13.039 6.427 -4.953 1.00 45.63 C ATOM 1882 C LYS B 21 11.755 7.173 -5.326 1.00 44.05 C ATOM 1883 O LYS B 21 10.959 6.691 -6.131 1.00 43.78 O ATOM 1884 CB LYS B 21 13.976 6.379 -6.155 1.00 47.31 C ATOM 1885 CG LYS B 21 15.439 6.533 -5.788 1.00 52.33 C ATOM 1886 CD LYS B 21 16.374 5.918 -6.837 1.00 60.46 C ATOM 1887 CE LYS B 21 16.413 6.715 -8.132 1.00 64.77 C ATOM 1888 NZ LYS B 21 17.334 6.071 -9.142 1.00 69.81 N ATOM 1889 HA LYS B 21 13.526 6.971 -4.144 1.00 0.00 H ATOM 1890 HB2 LYS B 21 13.845 5.420 -6.657 1.00 0.00 H ATOM 1891 HB3 LYS B 21 13.704 7.185 -6.837 1.00 0.00 H ATOM 1892 HG2 LYS B 21 15.667 7.595 -5.695 1.00 0.00 H ATOM 1893 HG3 LYS B 21 15.614 6.040 -4.831 1.00 0.00 H ATOM 1894 HD2 LYS B 21 17.382 5.875 -6.424 1.00 0.00 H ATOM 1895 HD3 LYS B 21 16.031 4.908 -7.060 1.00 0.00 H ATOM 1896 HE2 LYS B 21 16.768 7.723 -7.919 1.00 0.00 H ATOM 1897 HE3 LYS B 21 15.407 6.766 -8.549 1.00 0.00 H ATOM 1898 HZ1 LYS B 21 18.297 6.024 -8.751 1.00 0.00 H ATOM 1899 HZ2 LYS B 21 16.997 5.110 -9.353 1.00 0.00 H ATOM 1900 HZ3 LYS B 21 17.340 6.637 -10.014 1.00 0.00 H ATOM 1901 H LYS B 21 12.974 4.256 -5.051 1.00 0.00 H ATOM 1902 N VAL B 22 11.554 8.342 -4.724 1.00 42.28 N ATOM 1903 CA VAL B 22 10.440 9.203 -5.101 1.00 41.12 C ATOM 1904 C VAL B 22 10.998 10.569 -5.461 1.00 41.47 C ATOM 1905 O VAL B 22 11.764 11.159 -4.692 1.00 41.70 O ATOM 1906 CB VAL B 22 9.392 9.342 -3.965 1.00 40.38 C ATOM 1907 CG1 VAL B 22 8.197 10.217 -4.431 1.00 39.38 C ATOM 1908 CG2 VAL B 22 8.931 7.971 -3.480 1.00 38.48 C ATOM 1909 HA VAL B 22 9.926 8.754 -5.951 1.00 0.00 H ATOM 1910 HB VAL B 22 9.861 9.845 -3.119 1.00 0.00 H ATOM 1911 HG11 VAL B 22 8.559 11.209 -4.703 1.00 0.00 H ATOM 1912 HG12 VAL B 22 7.723 9.752 -5.295 1.00 0.00 H ATOM 1913 HG13 VAL B 22 7.473 10.303 -3.621 1.00 0.00 H ATOM 1914 HG21 VAL B 22 8.480 7.426 -4.309 1.00 0.00 H ATOM 1915 HG22 VAL B 22 9.788 7.414 -3.101 1.00 0.00 H ATOM 1916 HG23 VAL B 22 8.197 8.097 -2.684 1.00 0.00 H ATOM 1917 H VAL B 22 12.203 8.647 -3.971 1.00 0.00 H ATOM 1918 N GLY B 23 10.638 11.067 -6.639 1.00 41.46 N ATOM 1919 CA GLY B 23 11.132 12.372 -7.086 1.00 43.01 C ATOM 1920 C GLY B 23 12.655 12.423 -7.160 1.00 44.14 C ATOM 1921 O GLY B 23 13.243 13.500 -7.146 1.00 45.44 O ATOM 1922 HA3 GLY B 23 10.789 13.135 -6.387 1.00 0.00 H ATOM 1923 HA2 GLY B 23 10.726 12.580 -8.076 1.00 0.00 H ATOM 1924 H GLY B 23 9.997 10.523 -7.252 1.00 0.00 H ATOM 1925 N GLY B 24 13.277 11.248 -7.227 1.00 44.40 N ATOM 1926 CA GLY B 24 14.726 11.110 -7.349 1.00 45.23 C ATOM 1927 C GLY B 24 15.469 10.770 -6.065 1.00 44.79 C ATOM 1928 O GLY B 24 16.675 10.535 -6.105 1.00 46.20 O ATOM 1929 HA3 GLY B 24 15.122 12.053 -7.725 1.00 0.00 H ATOM 1930 HA2 GLY B 24 14.927 10.319 -8.072 1.00 0.00 H ATOM 1931 H GLY B 24 12.701 10.383 -7.191 1.00 0.00 H ATOM 1932 N GLN B 25 14.773 10.757 -4.926 1.00 42.40 N ATOM 1933 CA GLN B 25 15.419 10.454 -3.650 1.00 43.13 C ATOM 1934 C GLN B 25 14.687 9.356 -2.868 1.00 43.38 C ATOM 1935 O GLN B 25 13.458 9.288 -2.907 1.00 41.63 O ATOM 1936 CB GLN B 25 15.582 11.712 -2.791 1.00 42.08 C ATOM 1937 CG GLN B 25 16.496 12.787 -3.404 1.00 43.12 C ATOM 1938 CD GLN B 25 17.899 12.292 -3.748 1.00 48.00 C ATOM 1939 OE1 GLN B 25 18.423 11.398 -3.099 1.00 47.41 O ATOM 1940 NE2 GLN B 25 18.520 12.899 -4.770 1.00 48.17 N ATOM 1941 HA GLN B 25 16.411 10.072 -3.891 1.00 0.00 H ATOM 1942 HB2 GLN B 25 14.596 12.150 -2.637 1.00 0.00 H ATOM 1943 HB3 GLN B 25 16.001 11.416 -1.829 1.00 0.00 H ATOM 1944 HG2 GLN B 25 16.028 13.153 -4.318 1.00 0.00 H ATOM 1945 HG3 GLN B 25 16.587 13.606 -2.691 1.00 0.00 H ATOM 1946 HE22 GLN B 25 18.038 13.656 -5.296 1.00 0.00 H ATOM 1947 HE21 GLN B 25 19.484 12.613 -5.036 1.00 0.00 H ATOM 1948 H GLN B 25 13.754 10.966 -4.947 1.00 0.00 H ATOM 1949 N PRO B 26 15.452 8.491 -2.169 1.00 44.89 N ATOM 1950 CA PRO B 26 14.893 7.332 -1.456 1.00 44.80 C ATOM 1951 C PRO B 26 13.983 7.758 -0.315 1.00 44.27 C ATOM 1952 O PRO B 26 14.294 8.728 0.386 1.00 45.05 O ATOM 1953 CB PRO B 26 16.131 6.617 -0.907 1.00 46.62 C ATOM 1954 CG PRO B 26 17.243 7.637 -0.928 1.00 47.24 C ATOM 1955 CD PRO B 26 16.925 8.568 -2.053 1.00 46.60 C ATOM 1956 HA PRO B 26 14.280 6.707 -2.105 1.00 0.00 H ATOM 1957 HD3 PRO B 26 17.244 9.584 -1.819 1.00 0.00 H ATOM 1958 HD2 PRO B 26 17.405 8.241 -2.975 1.00 0.00 H ATOM 1959 HG3 PRO B 26 18.202 7.149 -1.099 1.00 0.00 H ATOM 1960 HG2 PRO B 26 17.277 8.181 0.016 1.00 0.00 H ATOM 1961 HB2 PRO B 26 15.950 6.274 0.112 1.00 0.00 H ATOM 1962 HB3 PRO B 26 16.387 5.764 -1.536 1.00 0.00 H ATOM 1963 N VAL B 27 12.852 7.067 -0.174 1.00 41.80 N ATOM 1964 CA VAL B 27 11.946 7.221 0.962 1.00 40.69 C ATOM 1965 C VAL B 27 11.754 5.828 1.555 1.00 40.03 C ATOM 1966 O VAL B 27 11.435 4.900 0.816 1.00 39.94 O ATOM 1967 CB VAL B 27 10.548 7.732 0.511 1.00 39.83 C ATOM 1968 CG1 VAL B 27 9.581 7.820 1.691 1.00 39.08 C ATOM 1969 CG2 VAL B 27 10.650 9.081 -0.200 1.00 41.19 C ATOM 1970 HA VAL B 27 12.366 7.938 1.667 1.00 0.00 H ATOM 1971 HB VAL B 27 10.152 7.005 -0.198 1.00 0.00 H ATOM 1972 HG11 VAL B 27 9.462 6.832 2.136 1.00 0.00 H ATOM 1973 HG12 VAL B 27 9.979 8.510 2.435 1.00 0.00 H ATOM 1974 HG13 VAL B 27 8.614 8.180 1.340 1.00 0.00 H ATOM 1975 HG21 VAL B 27 11.085 9.815 0.478 1.00 0.00 H ATOM 1976 HG22 VAL B 27 11.283 8.979 -1.082 1.00 0.00 H ATOM 1977 HG23 VAL B 27 9.655 9.408 -0.501 1.00 0.00 H ATOM 1978 H VAL B 27 12.600 6.380 -0.913 1.00 0.00 H ATOM 1979 N THR B 28 11.936 5.688 2.872 1.00 38.97 N ATOM 1980 CA THR B 28 11.672 4.421 3.560 1.00 38.74 C ATOM 1981 C THR B 28 10.240 4.423 4.079 1.00 37.44 C ATOM 1982 O THR B 28 9.893 5.182 4.992 1.00 38.01 O ATOM 1983 CB THR B 28 12.671 4.137 4.716 1.00 39.33 C ATOM 1984 OG1 THR B 28 14.002 4.264 4.226 1.00 42.56 O ATOM 1985 CG2 THR B 28 12.510 2.709 5.251 1.00 40.55 C ATOM 1986 HA THR B 28 11.810 3.618 2.836 1.00 0.00 H ATOM 1987 HB THR B 28 12.469 4.850 5.515 1.00 0.00 H ATOM 1988 HG1 THR B 28 14.146 3.613 3.494 1.00 0.00 H ATOM 1989 HG23 THR B 28 11.498 2.578 5.635 1.00 0.00 H ATOM 1990 HG21 THR B 28 12.689 1.998 4.444 1.00 0.00 H ATOM 1991 HG22 THR B 28 13.229 2.539 6.053 1.00 0.00 H ATOM 1992 H THR B 28 12.275 6.502 3.424 1.00 0.00 H ATOM 1993 N PHE B 29 9.426 3.563 3.476 1.00 35.45 N ATOM 1994 CA PHE B 29 8.014 3.455 3.763 1.00 34.48 C ATOM 1995 C PHE B 29 7.749 2.322 4.733 1.00 34.96 C ATOM 1996 O PHE B 29 8.372 1.260 4.632 1.00 34.28 O ATOM 1997 CB PHE B 29 7.272 3.095 2.471 1.00 34.16 C ATOM 1998 CG PHE B 29 7.195 4.209 1.469 1.00 32.99 C ATOM 1999 CD1 PHE B 29 6.164 5.131 1.524 1.00 30.21 C ATOM 2000 CD2 PHE B 29 8.117 4.290 0.432 1.00 34.34 C ATOM 2001 CE1 PHE B 29 6.064 6.148 0.597 1.00 34.27 C ATOM 2002 CE2 PHE B 29 8.022 5.302 -0.517 1.00 35.86 C ATOM 2003 CZ PHE B 29 7.009 6.243 -0.431 1.00 37.39 C ATOM 2004 HA PHE B 29 7.681 4.404 4.183 1.00 0.00 H ATOM 2005 HB2 PHE B 29 7.785 2.253 2.006 1.00 0.00 H ATOM 2006 HB3 PHE B 29 6.256 2.800 2.732 1.00 0.00 H ATOM 2007 HD2 PHE B 29 8.920 3.556 0.362 1.00 0.00 H ATOM 2008 HE2 PHE B 29 8.746 5.355 -1.330 1.00 0.00 H ATOM 2009 HZ PHE B 29 6.948 7.052 -1.159 1.00 0.00 H ATOM 2010 HE1 PHE B 29 5.253 6.874 0.665 1.00 0.00 H ATOM 2011 HD1 PHE B 29 5.417 5.052 2.314 1.00 0.00 H ATOM 2012 H PHE B 29 9.829 2.931 2.755 1.00 0.00 H ATOM 2013 N LEU B 30 6.807 2.534 5.650 1.00 35.61 N ATOM 2014 CA LEU B 30 6.118 1.426 6.279 1.00 36.51 C ATOM 2015 C LEU B 30 5.148 0.842 5.252 1.00 36.97 C ATOM 2016 O LEU B 30 4.285 1.553 4.718 1.00 36.12 O ATOM 2017 CB LEU B 30 5.350 1.897 7.523 1.00 36.51 C ATOM 2018 CG LEU B 30 4.388 0.921 8.207 1.00 38.06 C ATOM 2019 CD1 LEU B 30 5.065 -0.362 8.636 1.00 39.53 C ATOM 2020 CD2 LEU B 30 3.715 1.597 9.414 1.00 38.55 C ATOM 2021 HA LEU B 30 6.837 0.673 6.602 1.00 0.00 H ATOM 2022 HB2 LEU B 30 6.091 2.191 8.266 1.00 0.00 H ATOM 2023 HB3 LEU B 30 4.767 2.770 7.229 1.00 0.00 H ATOM 2024 HG LEU B 30 3.632 0.650 7.470 1.00 0.00 H ATOM 2025 HD21 LEU B 30 4.478 1.906 10.128 1.00 0.00 H ATOM 2026 HD22 LEU B 30 3.157 2.470 9.075 1.00 0.00 H ATOM 2027 HD23 LEU B 30 3.034 0.892 9.891 1.00 0.00 H ATOM 2028 HD11 LEU B 30 5.482 -0.861 7.761 1.00 0.00 H ATOM 2029 HD12 LEU B 30 5.864 -0.132 9.340 1.00 0.00 H ATOM 2030 HD13 LEU B 30 4.335 -1.014 9.114 1.00 0.00 H ATOM 2031 H LEU B 30 6.563 3.509 5.918 1.00 0.00 H ATOM 2032 N VAL B 31 5.287 -0.447 4.971 1.00 37.37 N ATOM 2033 CA VAL B 31 4.364 -1.110 4.061 1.00 38.24 C ATOM 2034 C VAL B 31 3.067 -1.363 4.824 1.00 39.46 C ATOM 2035 O VAL B 31 3.068 -2.005 5.889 1.00 39.99 O ATOM 2036 CB VAL B 31 4.974 -2.383 3.466 1.00 39.46 C ATOM 2037 CG1 VAL B 31 3.946 -3.135 2.638 1.00 39.87 C ATOM 2038 CG2 VAL B 31 6.188 -2.006 2.601 1.00 37.73 C ATOM 2039 HA VAL B 31 4.151 -0.477 3.200 1.00 0.00 H ATOM 2040 HB VAL B 31 5.295 -3.038 4.276 1.00 0.00 H ATOM 2041 HG11 VAL B 31 3.103 -3.410 3.271 1.00 0.00 H ATOM 2042 HG12 VAL B 31 3.599 -2.497 1.825 1.00 0.00 H ATOM 2043 HG13 VAL B 31 4.402 -4.035 2.226 1.00 0.00 H ATOM 2044 HG21 VAL B 31 5.868 -1.343 1.797 1.00 0.00 H ATOM 2045 HG22 VAL B 31 6.929 -1.499 3.219 1.00 0.00 H ATOM 2046 HG23 VAL B 31 6.624 -2.910 2.176 1.00 0.00 H ATOM 2047 H VAL B 31 6.062 -0.989 5.404 1.00 0.00 H ATOM 2048 N ASP B 32 1.969 -0.817 4.303 1.00 39.19 N ATOM 2049 CA ASP B 32 0.716 -0.786 5.048 1.00 39.77 C ATOM 2050 C ASP B 32 -0.464 -1.245 4.191 1.00 39.03 C ATOM 2051 O ASP B 32 -1.015 -0.470 3.402 1.00 38.20 O ATOM 2052 CB ASP B 32 0.459 0.626 5.593 1.00 40.35 C ATOM 2053 CG ASP B 32 -0.770 0.693 6.509 1.00 43.79 C ATOM 2054 OD1 ASP B 32 -1.360 -0.374 6.814 1.00 47.84 O ATOM 2055 OD2 ASP B 32 -1.139 1.808 6.940 1.00 46.47 O ATOM 2056 HA ASP B 32 0.809 -1.482 5.882 1.00 0.00 H ATOM 2057 HB2 ASP B 32 1.334 0.946 6.159 1.00 0.00 H ATOM 2058 HB3 ASP B 32 0.305 1.302 4.752 1.00 0.00 H ATOM 2059 H ASP B 32 2.006 -0.406 3.348 1.00 0.00 H ATOM 2060 N THR B 33 -0.857 -2.504 4.356 1.00 38.39 N ATOM 2061 CA THR B 33 -1.971 -3.052 3.577 1.00 37.99 C ATOM 2062 C THR B 33 -3.281 -2.420 4.021 1.00 37.69 C ATOM 2063 O THR B 33 -4.285 -2.544 3.338 1.00 38.38 O ATOM 2064 CB THR B 33 -2.071 -4.553 3.738 1.00 38.13 C ATOM 2065 OG1 THR B 33 -2.121 -4.852 5.137 1.00 37.77 O ATOM 2066 CG2 THR B 33 -0.832 -5.234 3.125 1.00 38.24 C ATOM 2067 HA THR B 33 -1.782 -2.823 2.528 1.00 0.00 H ATOM 2068 HB THR B 33 -2.965 -4.918 3.232 1.00 0.00 H ATOM 2069 HG1 THR B 33 -2.912 -4.413 5.539 1.00 0.00 H ATOM 2070 HG23 THR B 33 -0.787 -5.011 2.059 1.00 0.00 H ATOM 2071 HG21 THR B 33 0.067 -4.859 3.615 1.00 0.00 H ATOM 2072 HG22 THR B 33 -0.903 -6.312 3.269 1.00 0.00 H ATOM 2073 H THR B 33 -0.368 -3.108 5.047 1.00 0.00 H ATOM 2074 N GLY B 34 -3.258 -1.749 5.172 1.00 37.47 N ATOM 2075 CA GLY B 34 -4.430 -1.030 5.679 1.00 38.20 C ATOM 2076 C GLY B 34 -4.583 0.372 5.111 1.00 38.03 C ATOM 2077 O GLY B 34 -5.555 1.057 5.417 1.00 38.08 O ATOM 2078 HA3 GLY B 34 -4.345 -0.955 6.763 1.00 0.00 H ATOM 2079 HA2 GLY B 34 -5.322 -1.603 5.425 1.00 0.00 H ATOM 2080 H GLY B 34 -2.380 -1.735 5.729 1.00 0.00 H ATOM 2081 N ALA B 35 -3.626 0.812 4.288 1.00 37.63 N ATOM 2082 CA ALA B 35 -3.706 2.133 3.668 1.00 36.42 C ATOM 2083 C ALA B 35 -4.281 2.041 2.271 1.00 36.86 C ATOM 2084 O ALA B 35 -3.706 1.398 1.403 1.00 37.52 O ATOM 2085 CB ALA B 35 -2.347 2.810 3.628 1.00 36.50 C ATOM 2086 HA ALA B 35 -4.372 2.740 4.282 1.00 0.00 H ATOM 2087 HB1 ALA B 35 -1.971 2.927 4.644 1.00 0.00 H ATOM 2088 HB2 ALA B 35 -1.654 2.198 3.051 1.00 0.00 H ATOM 2089 HB3 ALA B 35 -2.444 3.790 3.161 1.00 0.00 H ATOM 2090 H ALA B 35 -2.808 0.202 4.085 1.00 0.00 H ATOM 2091 N GLN B 36 -5.407 2.706 2.051 1.00 36.76 N ATOM 2092 CA GLN B 36 -6.039 2.762 0.715 1.00 37.25 C ATOM 2093 C GLN B 36 -5.160 3.479 -0.324 1.00 36.69 C ATOM 2094 O GLN B 36 -5.098 3.067 -1.475 1.00 37.35 O ATOM 2095 CB GLN B 36 -7.409 3.435 0.821 1.00 37.40 C ATOM 2096 CG GLN B 36 -8.243 3.470 -0.465 1.00 38.94 C ATOM 2097 CD GLN B 36 -9.639 4.062 -0.219 1.00 42.14 C ATOM 2098 OE1 GLN B 36 -10.107 4.135 0.923 1.00 42.16 O ATOM 2099 NE2 GLN B 36 -10.306 4.475 -1.290 1.00 42.02 N ATOM 2100 HA GLN B 36 -6.161 1.737 0.364 1.00 0.00 H ATOM 2101 HB2 GLN B 36 -7.985 2.902 1.578 1.00 0.00 H ATOM 2102 HB3 GLN B 36 -7.251 4.464 1.144 1.00 0.00 H ATOM 2103 HG2 GLN B 36 -7.726 4.080 -1.206 1.00 0.00 H ATOM 2104 HG3 GLN B 36 -8.351 2.454 -0.844 1.00 0.00 H ATOM 2105 HE22 GLN B 36 -9.875 4.396 -2.233 1.00 0.00 H ATOM 2106 HE21 GLN B 36 -11.259 4.878 -1.186 1.00 0.00 H ATOM 2107 H GLN B 36 -5.860 3.204 2.843 1.00 0.00 H ATOM 2108 N HIS B 37 -4.472 4.540 0.095 1.00 35.09 N ATOM 2109 CA HIS B 37 -3.534 5.234 -0.774 1.00 34.85 C ATOM 2110 C HIS B 37 -2.237 5.510 -0.020 1.00 33.82 C ATOM 2111 O HIS B 37 -2.219 5.521 1.212 1.00 33.86 O ATOM 2112 CB HIS B 37 -4.060 6.581 -1.293 1.00 34.76 C ATOM 2113 CG HIS B 37 -3.567 6.921 -2.670 1.00 34.25 C ATOM 2114 ND1 HIS B 37 -4.117 6.376 -3.815 1.00 32.50 N ATOM 2115 CD2 HIS B 37 -2.561 7.729 -3.084 1.00 32.32 C ATOM 2116 CE1 HIS B 37 -3.480 6.845 -4.873 1.00 32.26 C ATOM 2117 NE2 HIS B 37 -2.533 7.671 -4.458 1.00 32.79 N ATOM 2118 HA HIS B 37 -3.379 4.576 -1.629 1.00 0.00 H ATOM 2119 HB2 HIS B 37 -5.149 6.542 -1.315 1.00 0.00 H ATOM 2120 HB3 HIS B 37 -3.740 7.365 -0.607 1.00 0.00 H ATOM 2121 HD2 HIS B 37 -1.898 8.315 -2.447 1.00 0.00 H ATOM 2122 HE1 HIS B 37 -3.697 6.594 -5.911 1.00 0.00 H ATOM 2123 H HIS B 37 -4.609 4.881 1.068 1.00 0.00 H ATOM 2124 N SER B 38 -1.171 5.771 -0.777 1.00 31.59 N ATOM 2125 CA SER B 38 0.143 6.007 -0.212 1.00 31.31 C ATOM 2126 C SER B 38 0.333 7.431 0.319 1.00 30.65 C ATOM 2127 O SER B 38 -0.309 8.368 -0.136 1.00 31.09 O ATOM 2128 CB SER B 38 1.218 5.646 -1.235 1.00 30.25 C ATOM 2129 OG SER B 38 1.223 4.245 -1.426 1.00 32.66 O ATOM 2130 HA SER B 38 0.239 5.359 0.659 1.00 0.00 H ATOM 2131 HB2 SER B 38 2.193 5.968 -0.870 1.00 0.00 H ATOM 2132 HB3 SER B 38 1.004 6.143 -2.181 1.00 0.00 H ATOM 2133 HG SER B 38 0.336 3.955 -1.757 1.00 0.00 H ATOM 2134 H SER B 38 -1.286 5.807 -1.810 1.00 0.00 H ATOM 2135 N VAL B 39 1.216 7.559 1.309 1.00 30.66 N ATOM 2136 CA VAL B 39 1.291 8.746 2.147 1.00 31.08 C ATOM 2137 C VAL B 39 2.743 9.198 2.303 1.00 31.03 C ATOM 2138 O VAL B 39 3.630 8.375 2.549 1.00 30.92 O ATOM 2139 CB VAL B 39 0.664 8.450 3.552 1.00 32.26 C ATOM 2140 CG1 VAL B 39 1.095 9.491 4.606 1.00 29.88 C ATOM 2141 CG2 VAL B 39 -0.893 8.324 3.472 1.00 30.99 C ATOM 2142 HA VAL B 39 0.728 9.548 1.669 1.00 0.00 H ATOM 2143 HB VAL B 39 1.053 7.485 3.878 1.00 0.00 H ATOM 2144 HG11 VAL B 39 2.180 9.477 4.706 1.00 0.00 H ATOM 2145 HG12 VAL B 39 0.771 10.482 4.289 1.00 0.00 H ATOM 2146 HG13 VAL B 39 0.637 9.247 5.564 1.00 0.00 H ATOM 2147 HG21 VAL B 39 -1.313 9.257 3.097 1.00 0.00 H ATOM 2148 HG22 VAL B 39 -1.156 7.509 2.798 1.00 0.00 H ATOM 2149 HG23 VAL B 39 -1.291 8.119 4.466 1.00 0.00 H ATOM 2150 H VAL B 39 1.879 6.778 1.490 1.00 0.00 H ATOM 2151 N LEU B 40 2.988 10.496 2.113 1.00 31.09 N ATOM 2152 CA LEU B 40 4.244 11.130 2.510 1.00 32.18 C ATOM 2153 C LEU B 40 3.961 12.013 3.735 1.00 33.01 C ATOM 2154 O LEU B 40 2.807 12.398 3.965 1.00 32.66 O ATOM 2155 CB LEU B 40 4.811 11.981 1.367 1.00 32.64 C ATOM 2156 CG LEU B 40 5.280 11.253 0.102 1.00 34.41 C ATOM 2157 CD1 LEU B 40 5.675 12.260 -1.005 1.00 35.41 C ATOM 2158 CD2 LEU B 40 6.454 10.337 0.435 1.00 35.37 C ATOM 2159 HA LEU B 40 4.983 10.366 2.751 1.00 0.00 H ATOM 2160 HB2 LEU B 40 4.034 12.685 1.069 1.00 0.00 H ATOM 2161 HB3 LEU B 40 5.665 12.530 1.763 1.00 0.00 H ATOM 2162 HG LEU B 40 4.454 10.650 -0.275 1.00 0.00 H ATOM 2163 HD21 LEU B 40 7.276 10.932 0.834 1.00 0.00 H ATOM 2164 HD22 LEU B 40 6.141 9.603 1.178 1.00 0.00 H ATOM 2165 HD23 LEU B 40 6.781 9.824 -0.469 1.00 0.00 H ATOM 2166 HD11 LEU B 40 4.813 12.878 -1.257 1.00 0.00 H ATOM 2167 HD12 LEU B 40 6.486 12.894 -0.645 1.00 0.00 H ATOM 2168 HD13 LEU B 40 6.003 11.715 -1.890 1.00 0.00 H ATOM 2169 H LEU B 40 2.255 11.081 1.664 1.00 0.00 H ATOM 2170 N THR B 41 4.978 12.304 4.543 1.00 33.31 N ATOM 2171 CA THR B 41 4.710 13.057 5.772 1.00 35.59 C ATOM 2172 C THR B 41 5.506 14.352 5.941 1.00 36.44 C ATOM 2173 O THR B 41 5.110 15.208 6.728 1.00 36.51 O ATOM 2174 CB THR B 41 4.924 12.191 7.028 1.00 36.14 C ATOM 2175 OG1 THR B 41 6.329 12.060 7.272 1.00 38.40 O ATOM 2176 CG2 THR B 41 4.295 10.792 6.841 1.00 34.93 C ATOM 2177 HA THR B 41 3.663 13.342 5.663 1.00 0.00 H ATOM 2178 HB THR B 41 4.441 12.673 7.878 1.00 0.00 H ATOM 2179 HG1 THR B 41 6.472 11.504 8.079 1.00 0.00 H ATOM 2180 HG23 THR B 41 3.226 10.897 6.656 1.00 0.00 H ATOM 2181 HG21 THR B 41 4.765 10.294 5.993 1.00 0.00 H ATOM 2182 HG22 THR B 41 4.452 10.201 7.743 1.00 0.00 H ATOM 2183 H THR B 41 5.945 12.003 4.307 1.00 0.00 H ATOM 2184 N GLN B 42 6.600 14.515 5.198 1.00 36.55 N ATOM 2185 CA GLN B 42 7.520 15.624 5.476 1.00 38.32 C ATOM 2186 C GLN B 42 8.146 16.223 4.221 1.00 38.17 C ATOM 2187 O GLN B 42 8.651 15.481 3.396 1.00 38.10 O ATOM 2188 CB GLN B 42 8.635 15.111 6.407 1.00 38.86 C ATOM 2189 CG GLN B 42 9.732 16.134 6.717 1.00 41.46 C ATOM 2190 CD GLN B 42 10.749 15.596 7.716 1.00 42.97 C ATOM 2191 OE1 GLN B 42 10.866 14.382 7.902 1.00 43.22 O ATOM 2192 NE2 GLN B 42 11.489 16.498 8.364 1.00 42.74 N ATOM 2193 HA GLN B 42 6.940 16.420 5.943 1.00 0.00 H ATOM 2194 HB2 GLN B 42 8.178 14.807 7.349 1.00 0.00 H ATOM 2195 HB3 GLN B 42 9.101 14.246 5.935 1.00 0.00 H ATOM 2196 HG2 GLN B 42 10.248 16.388 5.791 1.00 0.00 H ATOM 2197 HG3 GLN B 42 9.271 17.030 7.132 1.00 0.00 H ATOM 2198 HE22 GLN B 42 11.356 17.512 8.175 1.00 0.00 H ATOM 2199 HE21 GLN B 42 12.199 16.187 9.058 1.00 0.00 H ATOM 2200 H GLN B 42 6.802 13.855 4.420 1.00 0.00 H ATOM 2201 N ASN B 43 8.146 17.554 4.110 1.00 38.36 N ATOM 2202 CA ASN B 43 8.700 18.271 2.942 1.00 39.69 C ATOM 2203 C ASN B 43 8.363 17.560 1.607 1.00 40.12 C ATOM 2204 O ASN B 43 9.251 17.157 0.860 1.00 40.66 O ATOM 2205 CB ASN B 43 10.218 18.517 3.124 1.00 40.16 C ATOM 2206 CG ASN B 43 10.530 19.323 4.385 1.00 41.75 C ATOM 2207 OD1 ASN B 43 9.963 20.389 4.599 1.00 44.02 O ATOM 2208 ND2 ASN B 43 11.420 18.810 5.227 1.00 39.73 N ATOM 2209 HA ASN B 43 8.218 19.247 2.885 1.00 0.00 H ATOM 2210 HB2 ASN B 43 10.724 17.554 3.190 1.00 0.00 H ATOM 2211 HB3 ASN B 43 10.591 19.063 2.258 1.00 0.00 H ATOM 2212 HD22 ASN B 43 11.879 17.903 5.009 1.00 0.00 H ATOM 2213 HD21 ASN B 43 11.658 19.316 6.104 1.00 0.00 H ATOM 2214 H ASN B 43 7.736 18.114 4.884 1.00 0.00 H ATOM 2215 N PRO B 44 7.063 17.398 1.319 1.00 39.94 N ATOM 2216 CA PRO B 44 6.621 16.524 0.224 1.00 40.71 C ATOM 2217 C PRO B 44 6.801 17.087 -1.192 1.00 40.24 C ATOM 2218 O PRO B 44 6.535 16.385 -2.168 1.00 40.25 O ATOM 2219 CB PRO B 44 5.136 16.324 0.525 1.00 39.69 C ATOM 2220 CG PRO B 44 4.744 17.605 1.158 1.00 40.08 C ATOM 2221 CD PRO B 44 5.919 18.011 2.016 1.00 40.52 C ATOM 2222 HA PRO B 44 7.225 15.617 0.203 1.00 0.00 H ATOM 2223 HD3 PRO B 44 6.019 19.096 2.056 1.00 0.00 H ATOM 2224 HD2 PRO B 44 5.820 17.619 3.028 1.00 0.00 H ATOM 2225 HG3 PRO B 44 3.853 17.470 1.772 1.00 0.00 H ATOM 2226 HG2 PRO B 44 4.548 18.361 0.398 1.00 0.00 H ATOM 2227 HB2 PRO B 44 4.571 16.151 -0.391 1.00 0.00 H ATOM 2228 HB3 PRO B 44 4.984 15.488 1.207 1.00 0.00 H ATOM 2229 N GLY B 45 7.242 18.330 -1.300 1.00 40.68 N ATOM 2230 CA GLY B 45 7.341 18.990 -2.594 1.00 41.38 C ATOM 2231 C GLY B 45 6.010 19.618 -2.977 1.00 42.23 C ATOM 2232 O GLY B 45 5.106 19.699 -2.145 1.00 41.48 O ATOM 2233 HA3 GLY B 45 7.622 18.257 -3.350 1.00 0.00 H ATOM 2234 HA2 GLY B 45 8.103 19.768 -2.543 1.00 0.00 H ATOM 2235 H GLY B 45 7.524 18.846 -0.442 1.00 0.00 H ATOM 2236 N PRO B 46 5.873 20.041 -4.245 1.00 42.74 N ATOM 2237 CA PRO B 46 4.668 20.720 -4.765 1.00 43.19 C ATOM 2238 C PRO B 46 3.346 19.980 -4.493 1.00 41.87 C ATOM 2239 O PRO B 46 3.241 18.769 -4.719 1.00 40.46 O ATOM 2240 CB PRO B 46 4.934 20.800 -6.272 1.00 43.79 C ATOM 2241 CG PRO B 46 6.447 20.789 -6.378 1.00 44.60 C ATOM 2242 CD PRO B 46 6.888 19.845 -5.295 1.00 43.36 C ATOM 2243 HA PRO B 46 4.527 21.682 -4.272 1.00 0.00 H ATOM 2244 HD3 PRO B 46 6.889 18.815 -5.651 1.00 0.00 H ATOM 2245 HD2 PRO B 46 7.882 20.104 -4.931 1.00 0.00 H ATOM 2246 HG3 PRO B 46 6.853 21.786 -6.210 1.00 0.00 H ATOM 2247 HG2 PRO B 46 6.763 20.429 -7.357 1.00 0.00 H ATOM 2248 HB2 PRO B 46 4.503 19.942 -6.788 1.00 0.00 H ATOM 2249 HB3 PRO B 46 4.523 21.719 -6.690 1.00 0.00 H ATOM 2250 N LEU B 47 2.358 20.722 -4.002 1.00 41.60 N ATOM 2251 CA LEU B 47 1.068 20.145 -3.659 1.00 41.94 C ATOM 2252 C LEU B 47 0.029 20.542 -4.672 1.00 42.73 C ATOM 2253 O LEU B 47 0.054 21.663 -5.197 1.00 43.34 O ATOM 2254 CB LEU B 47 0.617 20.592 -2.264 1.00 41.80 C ATOM 2255 CG LEU B 47 1.505 20.203 -1.072 1.00 41.73 C ATOM 2256 CD1 LEU B 47 0.903 20.707 0.264 1.00 38.51 C ATOM 2257 CD2 LEU B 47 1.713 18.698 -1.046 1.00 37.23 C ATOM 2258 HA LEU B 47 1.179 19.061 -3.660 1.00 0.00 H ATOM 2259 HB2 LEU B 47 0.545 21.680 -2.277 1.00 0.00 H ATOM 2260 HB3 LEU B 47 -0.371 20.166 -2.088 1.00 0.00 H ATOM 2261 HG LEU B 47 2.475 20.685 -1.193 1.00 0.00 H ATOM 2262 HD21 LEU B 47 0.748 18.201 -0.951 1.00 0.00 H ATOM 2263 HD22 LEU B 47 2.196 18.383 -1.971 1.00 0.00 H ATOM 2264 HD23 LEU B 47 2.344 18.434 -0.197 1.00 0.00 H ATOM 2265 HD11 LEU B 47 0.816 21.793 0.235 1.00 0.00 H ATOM 2266 HD12 LEU B 47 -0.083 20.266 0.406 1.00 0.00 H ATOM 2267 HD13 LEU B 47 1.555 20.416 1.088 1.00 0.00 H ATOM 2268 H LEU B 47 2.512 21.741 -3.860 1.00 0.00 H ATOM 2269 N SER B 48 -0.880 19.617 -4.942 1.00 42.50 N ATOM 2270 CA SER B 48 -2.041 19.885 -5.768 1.00 44.27 C ATOM 2271 C SER B 48 -2.950 20.882 -5.050 1.00 45.06 C ATOM 2272 O SER B 48 -2.829 21.085 -3.842 1.00 44.36 O ATOM 2273 CB SER B 48 -2.795 18.564 -6.012 1.00 44.07 C ATOM 2274 OG SER B 48 -4.101 18.787 -6.485 1.00 47.58 O ATOM 2275 HA SER B 48 -1.733 20.308 -6.724 1.00 0.00 H ATOM 2276 HB2 SER B 48 -2.849 18.010 -5.075 1.00 0.00 H ATOM 2277 HB3 SER B 48 -2.248 17.976 -6.749 1.00 0.00 H ATOM 2278 HG SER B 48 -4.552 17.917 -6.629 1.00 0.00 H ATOM 2279 H SER B 48 -0.756 18.663 -4.547 1.00 0.00 H ATOM 2280 N ASP B 49 -3.864 21.498 -5.791 1.00 46.30 N ATOM 2281 CA ASP B 49 -4.920 22.269 -5.157 1.00 47.93 C ATOM 2282 C ASP B 49 -5.986 21.335 -4.562 1.00 46.84 C ATOM 2283 O ASP B 49 -6.803 21.756 -3.756 1.00 46.53 O ATOM 2284 CB ASP B 49 -5.526 23.311 -6.120 1.00 50.17 C ATOM 2285 CG ASP B 49 -4.566 24.453 -6.419 1.00 51.27 C ATOM 2286 OD1 ASP B 49 -4.073 25.087 -5.461 1.00 53.86 O ATOM 2287 OD2 ASP B 49 -4.303 24.718 -7.610 1.00 53.94 O ATOM 2288 HA ASP B 49 -4.481 22.834 -4.335 1.00 0.00 H ATOM 2289 HB2 ASP B 49 -5.783 22.815 -7.056 1.00 0.00 H ATOM 2290 HB3 ASP B 49 -6.429 23.722 -5.668 1.00 0.00 H ATOM 2291 H ASP B 49 -3.824 21.428 -6.828 1.00 0.00 H ATOM 2292 N LYS B 50 -5.938 20.059 -4.936 1.00 45.22 N ATOM 2293 CA LYS B 50 -6.940 19.103 -4.487 1.00 44.77 C ATOM 2294 C LYS B 50 -6.582 18.428 -3.160 1.00 42.85 C ATOM 2295 O LYS B 50 -5.418 18.272 -2.799 1.00 40.78 O ATOM 2296 CB LYS B 50 -7.241 18.041 -5.556 1.00 45.82 C ATOM 2297 CG LYS B 50 -7.635 18.577 -6.947 1.00 49.38 C ATOM 2298 CD LYS B 50 -8.939 19.354 -6.945 1.00 54.01 C ATOM 2299 CE LYS B 50 -9.202 19.901 -8.350 1.00 59.53 C ATOM 2300 NZ LYS B 50 -10.389 20.811 -8.442 1.00 61.36 N ATOM 2301 HA LYS B 50 -7.841 19.693 -4.316 1.00 0.00 H ATOM 2302 HB2 LYS B 50 -6.350 17.425 -5.675 1.00 0.00 H ATOM 2303 HB3 LYS B 50 -8.062 17.423 -5.191 1.00 0.00 H ATOM 2304 HG2 LYS B 50 -6.841 19.234 -7.302 1.00 0.00 H ATOM 2305 HG3 LYS B 50 -7.737 17.732 -7.627 1.00 0.00 H ATOM 2306 HD2 LYS B 50 -9.756 18.695 -6.651 1.00 0.00 H ATOM 2307 HD3 LYS B 50 -8.870 20.181 -6.239 1.00 0.00 H ATOM 2308 HE2 LYS B 50 -9.365 19.057 -9.021 1.00 0.00 H ATOM 2309 HE3 LYS B 50 -8.320 20.455 -8.672 1.00 0.00 H ATOM 2310 HZ1 LYS B 50 -11.243 20.295 -8.150 1.00 0.00 H ATOM 2311 HZ2 LYS B 50 -10.246 21.630 -7.817 1.00 0.00 H ATOM 2312 HZ3 LYS B 50 -10.499 21.138 -9.423 1.00 0.00 H ATOM 2313 H LYS B 50 -5.171 19.739 -5.561 1.00 0.00 H ATOM 2314 N SER B 51 -7.617 18.018 -2.448 1.00 42.10 N ATOM 2315 CA SER B 51 -7.443 17.362 -1.171 1.00 40.09 C ATOM 2316 C SER B 51 -8.357 16.125 -1.099 1.00 39.71 C ATOM 2317 O SER B 51 -9.308 16.005 -1.885 1.00 38.23 O ATOM 2318 CB SER B 51 -7.734 18.367 -0.039 1.00 40.59 C ATOM 2319 OG SER B 51 -9.116 18.709 0.014 1.00 40.77 O ATOM 2320 HA SER B 51 -6.415 17.018 -1.055 1.00 0.00 H ATOM 2321 HB2 SER B 51 -7.151 19.272 -0.210 1.00 0.00 H ATOM 2322 HB3 SER B 51 -7.442 17.923 0.913 1.00 0.00 H ATOM 2323 HG SER B 51 -9.267 19.354 0.750 1.00 0.00 H ATOM 2324 H SER B 51 -8.578 18.171 -2.814 1.00 0.00 H ATOM 2325 N ALA B 52 -8.039 15.211 -0.164 1.00 37.78 N ATOM 2326 CA ALA B 52 -8.890 14.083 0.181 1.00 38.14 C ATOM 2327 C ALA B 52 -9.341 14.115 1.657 1.00 38.28 C ATOM 2328 O ALA B 52 -8.636 14.620 2.529 1.00 38.84 O ATOM 2329 CB ALA B 52 -8.137 12.789 -0.099 1.00 36.90 C ATOM 2330 HA ALA B 52 -9.790 14.144 -0.431 1.00 0.00 H ATOM 2331 HB1 ALA B 52 -7.876 12.743 -1.156 1.00 0.00 H ATOM 2332 HB2 ALA B 52 -7.228 12.762 0.502 1.00 0.00 H ATOM 2333 HB3 ALA B 52 -8.770 11.939 0.158 1.00 0.00 H ATOM 2334 H ALA B 52 -7.135 15.317 0.340 1.00 0.00 H ATOM 2335 N TRP B 53 -10.509 13.566 1.936 1.00 37.73 N ATOM 2336 CA TRP B 53 -10.861 13.244 3.308 1.00 38.49 C ATOM 2337 C TRP B 53 -10.152 11.940 3.668 1.00 37.50 C ATOM 2338 O TRP B 53 -10.317 10.951 2.977 1.00 37.40 O ATOM 2339 CB TRP B 53 -12.344 13.033 3.453 1.00 39.30 C ATOM 2340 CG TRP B 53 -12.720 12.752 4.877 1.00 42.46 C ATOM 2341 CD1 TRP B 53 -12.813 11.520 5.486 1.00 43.84 C ATOM 2342 CD2 TRP B 53 -13.052 13.722 5.874 1.00 44.04 C ATOM 2343 NE1 TRP B 53 -13.195 11.673 6.799 1.00 42.38 N ATOM 2344 CE2 TRP B 53 -13.348 13.013 7.065 1.00 44.52 C ATOM 2345 CE3 TRP B 53 -13.152 15.123 5.872 1.00 45.62 C ATOM 2346 CZ2 TRP B 53 -13.727 13.664 8.254 1.00 46.81 C ATOM 2347 CZ3 TRP B 53 -13.524 15.772 7.057 1.00 48.89 C ATOM 2348 CH2 TRP B 53 -13.808 15.033 8.234 1.00 46.46 C ATOM 2349 HA TRP B 53 -10.564 14.066 3.960 1.00 0.00 H ATOM 2350 HB2 TRP B 53 -12.865 13.931 3.119 1.00 0.00 H ATOM 2351 HB3 TRP B 53 -12.645 12.188 2.833 1.00 0.00 H ATOM 2352 HE1 TRP B 53 -13.344 10.901 7.479 1.00 0.00 H ATOM 2353 HD1 TRP B 53 -12.613 10.565 5.000 1.00 0.00 H ATOM 2354 HZ2 TRP B 53 -13.949 13.099 9.160 1.00 0.00 H ATOM 2355 HH2 TRP B 53 -14.097 15.564 9.141 1.00 0.00 H ATOM 2356 HZ3 TRP B 53 -13.596 16.859 7.075 1.00 0.00 H ATOM 2357 HE3 TRP B 53 -12.944 15.694 4.967 1.00 0.00 H ATOM 2358 H TRP B 53 -11.181 13.363 1.169 1.00 0.00 H ATOM 2359 N VAL B 54 -9.345 11.959 4.722 1.00 36.91 N ATOM 2360 CA VAL B 54 -8.636 10.763 5.173 1.00 36.64 C ATOM 2361 C VAL B 54 -9.266 10.330 6.495 1.00 38.20 C ATOM 2362 O VAL B 54 -9.291 11.102 7.443 1.00 38.76 O ATOM 2363 CB VAL B 54 -7.144 11.043 5.382 1.00 35.65 C ATOM 2364 CG1 VAL B 54 -6.448 9.854 6.075 1.00 36.20 C ATOM 2365 CG2 VAL B 54 -6.465 11.377 4.042 1.00 34.95 C ATOM 2366 HA VAL B 54 -8.719 9.982 4.418 1.00 0.00 H ATOM 2367 HB VAL B 54 -7.049 11.909 6.037 1.00 0.00 H ATOM 2368 HG11 VAL B 54 -6.910 9.680 7.047 1.00 0.00 H ATOM 2369 HG12 VAL B 54 -6.553 8.963 5.457 1.00 0.00 H ATOM 2370 HG13 VAL B 54 -5.391 10.082 6.210 1.00 0.00 H ATOM 2371 HG21 VAL B 54 -6.575 10.534 3.360 1.00 0.00 H ATOM 2372 HG22 VAL B 54 -6.934 12.260 3.609 1.00 0.00 H ATOM 2373 HG23 VAL B 54 -5.406 11.573 4.211 1.00 0.00 H ATOM 2374 H VAL B 54 -9.214 12.850 5.242 1.00 0.00 H ATOM 2375 N GLN B 55 -9.807 9.119 6.538 1.00 38.96 N ATOM 2376 CA GLN B 55 -10.336 8.558 7.777 1.00 41.55 C ATOM 2377 C GLN B 55 -9.275 7.625 8.347 1.00 41.28 C ATOM 2378 O GLN B 55 -8.921 6.623 7.717 1.00 40.82 O ATOM 2379 CB GLN B 55 -11.635 7.785 7.514 1.00 42.59 C ATOM 2380 CG GLN B 55 -12.413 7.405 8.774 1.00 48.65 C ATOM 2381 CD GLN B 55 -13.216 8.581 9.323 1.00 56.95 C ATOM 2382 OE1 GLN B 55 -13.196 8.856 10.526 1.00 58.96 O ATOM 2383 NE2 GLN B 55 -13.914 9.294 8.435 1.00 57.89 N ATOM 2384 HA GLN B 55 -10.568 9.356 8.482 1.00 0.00 H ATOM 2385 HB2 GLN B 55 -12.279 8.404 6.889 1.00 0.00 H ATOM 2386 HB3 GLN B 55 -11.384 6.869 6.979 1.00 0.00 H ATOM 2387 HG2 GLN B 55 -13.098 6.592 8.534 1.00 0.00 H ATOM 2388 HG3 GLN B 55 -11.709 7.072 9.536 1.00 0.00 H ATOM 2389 HE22 GLN B 55 -13.903 9.027 7.430 1.00 0.00 H ATOM 2390 HE21 GLN B 55 -14.468 10.116 8.749 1.00 0.00 H ATOM 2391 H GLN B 55 -9.855 8.555 5.666 1.00 0.00 H ATOM 2392 N GLY B 56 -8.752 7.975 9.520 1.00 41.14 N ATOM 2393 CA GLY B 56 -7.762 7.150 10.214 1.00 40.64 C ATOM 2394 C GLY B 56 -8.436 6.332 11.304 1.00 41.92 C ATOM 2395 O GLY B 56 -9.662 6.300 11.397 1.00 40.86 O ATOM 2396 HA3 GLY B 56 -7.005 7.794 10.662 1.00 0.00 H ATOM 2397 HA2 GLY B 56 -7.288 6.478 9.499 1.00 0.00 H ATOM 2398 H GLY B 56 -9.058 8.867 9.959 1.00 0.00 H ATOM 2399 N ALA B 57 -7.637 5.679 12.141 1.00 42.42 N ATOM 2400 CA ALA B 57 -8.197 4.848 13.191 1.00 43.02 C ATOM 2401 C ALA B 57 -8.951 5.661 14.244 1.00 44.30 C ATOM 2402 O ALA B 57 -9.902 5.159 14.832 1.00 44.79 O ATOM 2403 CB ALA B 57 -7.124 4.009 13.836 1.00 43.82 C ATOM 2404 HA ALA B 57 -8.925 4.189 12.718 1.00 0.00 H ATOM 2405 HB1 ALA B 57 -6.666 3.366 13.084 1.00 0.00 H ATOM 2406 HB2 ALA B 57 -6.366 4.661 14.269 1.00 0.00 H ATOM 2407 HB3 ALA B 57 -7.567 3.395 14.620 1.00 0.00 H ATOM 2408 H ALA B 57 -6.605 5.764 12.043 1.00 0.00 H ATOM 2409 N THR B 58 -8.547 6.913 14.468 1.00 44.16 N ATOM 2410 CA THR B 58 -9.067 7.689 15.594 1.00 45.81 C ATOM 2411 C THR B 58 -9.986 8.856 15.195 1.00 46.74 C ATOM 2412 O THR B 58 -10.584 9.502 16.056 1.00 48.55 O ATOM 2413 CB THR B 58 -7.911 8.225 16.489 1.00 46.38 C ATOM 2414 OG1 THR B 58 -7.147 9.199 15.762 1.00 46.82 O ATOM 2415 CG2 THR B 58 -6.987 7.084 16.919 1.00 45.17 C ATOM 2416 HA THR B 58 -9.683 6.984 16.153 1.00 0.00 H ATOM 2417 HB THR B 58 -8.348 8.682 17.377 1.00 0.00 H ATOM 2418 HG1 THR B 58 -6.766 8.779 14.950 1.00 0.00 H ATOM 2419 HG23 THR B 58 -7.562 6.341 17.472 1.00 0.00 H ATOM 2420 HG21 THR B 58 -6.548 6.621 16.035 1.00 0.00 H ATOM 2421 HG22 THR B 58 -6.195 7.479 17.555 1.00 0.00 H ATOM 2422 H THR B 58 -7.849 7.345 13.830 1.00 0.00 H ATOM 2423 N GLY B 59 -10.080 9.128 13.897 1.00 46.19 N ATOM 2424 CA GLY B 59 -10.873 10.242 13.387 1.00 45.43 C ATOM 2425 C GLY B 59 -10.445 10.585 11.964 1.00 44.76 C ATOM 2426 O GLY B 59 -9.599 9.907 11.371 1.00 43.84 O ATOM 2427 HA3 GLY B 59 -10.726 11.112 14.027 1.00 0.00 H ATOM 2428 HA2 GLY B 59 -11.927 9.965 13.389 1.00 0.00 H ATOM 2429 H GLY B 59 -9.570 8.525 13.220 1.00 0.00 H ATOM 2430 N GLY B 60 -11.034 11.632 11.401 1.00 44.37 N ATOM 2431 CA GLY B 60 -10.721 12.029 10.032 1.00 43.24 C ATOM 2432 C GLY B 60 -10.572 13.527 9.865 1.00 43.28 C ATOM 2433 O GLY B 60 -11.022 14.304 10.711 1.00 43.80 O ATOM 2434 HA3 GLY B 60 -11.523 11.685 9.379 1.00 0.00 H ATOM 2435 HA2 GLY B 60 -9.786 11.553 9.738 1.00 0.00 H ATOM 2436 H GLY B 60 -11.731 12.180 11.945 1.00 0.00 H ATOM 2437 N LYS B 61 -9.896 13.917 8.787 1.00 41.76 N ATOM 2438 CA LYS B 61 -9.845 15.295 8.306 1.00 41.93 C ATOM 2439 C LYS B 61 -9.208 15.279 6.922 1.00 39.59 C ATOM 2440 O LYS B 61 -8.820 14.212 6.421 1.00 37.94 O ATOM 2441 CB LYS B 61 -9.101 16.242 9.280 1.00 43.80 C ATOM 2442 CG LYS B 61 -7.607 16.026 9.414 1.00 45.96 C ATOM 2443 CD LYS B 61 -7.028 16.971 10.487 1.00 53.53 C ATOM 2444 CE LYS B 61 -5.683 17.583 10.073 1.00 55.13 C ATOM 2445 NZ LYS B 61 -5.836 18.493 8.896 1.00 57.96 N ATOM 2446 HA LYS B 61 -10.857 15.696 8.248 1.00 0.00 H ATOM 2447 HB2 LYS B 61 -9.260 17.264 8.937 1.00 0.00 H ATOM 2448 HB3 LYS B 61 -9.545 16.119 10.268 1.00 0.00 H ATOM 2449 HG2 LYS B 61 -7.417 14.992 9.703 1.00 0.00 H ATOM 2450 HG3 LYS B 61 -7.126 16.229 8.457 1.00 0.00 H ATOM 2451 HD2 LYS B 61 -7.740 17.778 10.662 1.00 0.00 H ATOM 2452 HD3 LYS B 61 -6.886 16.407 11.409 1.00 0.00 H ATOM 2453 HE2 LYS B 61 -4.993 16.780 9.814 1.00 0.00 H ATOM 2454 HE3 LYS B 61 -5.279 18.151 10.911 1.00 0.00 H ATOM 2455 HZ1 LYS B 61 -6.216 17.956 8.091 1.00 0.00 H ATOM 2456 HZ2 LYS B 61 -6.489 19.265 9.139 1.00 0.00 H ATOM 2457 HZ3 LYS B 61 -4.908 18.889 8.643 1.00 0.00 H ATOM 2458 H LYS B 61 -9.371 13.195 8.254 1.00 0.00 H ATOM 2459 N ARG B 62 -9.112 16.449 6.302 1.00 38.48 N ATOM 2460 CA ARG B 62 -8.657 16.534 4.916 1.00 37.71 C ATOM 2461 C ARG B 62 -7.173 16.765 4.802 1.00 36.49 C ATOM 2462 O ARG B 62 -6.578 17.462 5.628 1.00 36.27 O ATOM 2463 CB ARG B 62 -9.432 17.614 4.134 1.00 38.29 C ATOM 2464 CG ARG B 62 -10.952 17.464 4.226 1.00 39.00 C ATOM 2465 CD ARG B 62 -11.666 18.420 3.264 1.00 37.08 C ATOM 2466 NE ARG B 62 -11.317 18.090 1.892 1.00 39.13 N ATOM 2467 CZ ARG B 62 -11.956 17.178 1.166 1.00 39.03 C ATOM 2468 NH1 ARG B 62 -12.993 16.514 1.676 1.00 40.09 N ATOM 2469 NH2 ARG B 62 -11.572 16.947 -0.081 1.00 40.50 N ATOM 2470 HA ARG B 62 -8.866 15.562 4.469 1.00 0.00 H ATOM 2471 HB2 ARG B 62 -9.157 18.591 4.531 1.00 0.00 H ATOM 2472 HB3 ARG B 62 -9.142 17.555 3.085 1.00 0.00 H ATOM 2473 HG2 ARG B 62 -11.224 16.439 3.975 1.00 0.00 H ATOM 2474 HG3 ARG B 62 -11.270 17.683 5.245 1.00 0.00 H ATOM 2475 HD2 ARG B 62 -11.361 19.444 3.479 1.00 0.00 H ATOM 2476 HD3 ARG B 62 -12.744 18.328 3.396 1.00 0.00 H ATOM 2477 HE ARG B 62 -10.522 18.597 1.453 1.00 0.00 H ATOM 2478 HH12 ARG B 62 -13.488 15.802 1.102 1.00 0.00 H ATOM 2479 HH11 ARG B 62 -13.307 16.708 2.648 1.00 0.00 H ATOM 2480 HH22 ARG B 62 -12.068 16.235 -0.654 1.00 0.00 H ATOM 2481 HH21 ARG B 62 -10.775 17.478 -0.486 1.00 0.00 H ATOM 2482 H ARG B 62 -9.365 17.320 6.811 1.00 0.00 H ATOM 2483 N TYR B 63 -6.581 16.173 3.771 1.00 35.57 N ATOM 2484 CA TYR B 63 -5.175 16.350 3.491 1.00 35.19 C ATOM 2485 C TYR B 63 -4.967 16.574 2.010 1.00 36.25 C ATOM 2486 O TYR B 63 -5.734 16.080 1.178 1.00 36.49 O ATOM 2487 CB TYR B 63 -4.389 15.133 3.952 1.00 34.21 C ATOM 2488 CG TYR B 63 -4.400 14.970 5.450 1.00 35.09 C ATOM 2489 CD1 TYR B 63 -3.514 15.686 6.256 1.00 34.56 C ATOM 2490 CD2 TYR B 63 -5.331 14.137 6.065 1.00 35.95 C ATOM 2491 CE1 TYR B 63 -3.519 15.533 7.640 1.00 38.09 C ATOM 2492 CE2 TYR B 63 -5.343 13.971 7.440 1.00 36.93 C ATOM 2493 CZ TYR B 63 -4.438 14.661 8.219 1.00 38.60 C ATOM 2494 OH TYR B 63 -4.470 14.499 9.581 1.00 40.45 O ATOM 2495 HA TYR B 63 -4.816 17.224 4.035 1.00 0.00 H ATOM 2496 HB3 TYR B 63 -3.356 15.237 3.619 1.00 0.00 H ATOM 2497 HB2 TYR B 63 -4.827 14.243 3.500 1.00 0.00 H ATOM 2498 HD2 TYR B 63 -6.062 13.607 5.454 1.00 0.00 H ATOM 2499 HE2 TYR B 63 -6.064 13.298 7.904 1.00 0.00 H ATOM 2500 HE1 TYR B 63 -2.815 16.087 8.261 1.00 0.00 H ATOM 2501 HD1 TYR B 63 -2.807 16.376 5.795 1.00 0.00 H ATOM 2502 HH TYR B 63 -3.764 15.056 9.995 1.00 0.00 H ATOM 2503 H TYR B 63 -7.147 15.564 3.146 1.00 0.00 H ATOM 2504 N ARG B 64 -3.923 17.313 1.680 1.00 36.94 N ATOM 2505 CA ARG B 64 -3.662 17.642 0.285 1.00 38.21 C ATOM 2506 C ARG B 64 -3.005 16.490 -0.498 1.00 37.50 C ATOM 2507 O ARG B 64 -2.192 15.734 0.057 1.00 36.40 O ATOM 2508 CB ARG B 64 -2.761 18.882 0.236 1.00 38.58 C ATOM 2509 CG ARG B 64 -2.879 19.648 -1.062 1.00 44.00 C ATOM 2510 CD ARG B 64 -3.938 20.755 -0.975 1.00 46.05 C ATOM 2511 NE ARG B 64 -3.468 21.822 -0.106 1.00 48.66 N ATOM 2512 CZ ARG B 64 -2.667 22.823 -0.479 1.00 51.09 C ATOM 2513 NH1 ARG B 64 -2.246 22.956 -1.741 1.00 51.07 N ATOM 2514 NH2 ARG B 64 -2.304 23.720 0.424 1.00 51.34 N ATOM 2515 HA ARG B 64 -4.622 17.832 -0.195 1.00 0.00 H ATOM 2516 HB2 ARG B 64 -3.036 19.544 1.057 1.00 0.00 H ATOM 2517 HB3 ARG B 64 -1.726 18.564 0.359 1.00 0.00 H ATOM 2518 HG2 ARG B 64 -1.915 20.099 -1.295 1.00 0.00 H ATOM 2519 HG3 ARG B 64 -3.156 18.956 -1.857 1.00 0.00 H ATOM 2520 HD2 ARG B 64 -4.862 20.341 -0.572 1.00 0.00 H ATOM 2521 HD3 ARG B 64 -4.125 21.156 -1.971 1.00 0.00 H ATOM 2522 HE ARG B 64 -3.781 21.804 0.886 1.00 0.00 H ATOM 2523 HH12 ARG B 64 -1.622 23.747 -2.001 1.00 0.00 H ATOM 2524 HH11 ARG B 64 -2.542 22.269 -2.463 1.00 0.00 H ATOM 2525 HH22 ARG B 64 -1.681 24.507 0.154 1.00 0.00 H ATOM 2526 HH21 ARG B 64 -2.642 23.638 1.404 1.00 0.00 H ATOM 2527 H ARG B 64 -3.283 17.662 2.421 1.00 0.00 H ATOM 2528 N TRP B 65 -3.366 16.370 -1.778 1.00 36.75 N ATOM 2529 CA TRP B 65 -2.645 15.543 -2.753 1.00 36.73 C ATOM 2530 C TRP B 65 -1.372 16.250 -3.205 1.00 36.59 C ATOM 2531 O TRP B 65 -1.373 17.462 -3.392 1.00 37.36 O ATOM 2532 CB TRP B 65 -3.510 15.272 -4.002 1.00 37.12 C ATOM 2533 CG TRP B 65 -4.643 14.338 -3.737 1.00 37.89 C ATOM 2534 CD1 TRP B 65 -5.978 14.662 -3.598 1.00 37.99 C ATOM 2535 CD2 TRP B 65 -4.552 12.925 -3.556 1.00 37.67 C ATOM 2536 NE1 TRP B 65 -6.713 13.529 -3.358 1.00 39.96 N ATOM 2537 CE2 TRP B 65 -5.862 12.450 -3.308 1.00 37.80 C ATOM 2538 CE3 TRP B 65 -3.484 12.006 -3.576 1.00 37.14 C ATOM 2539 CZ2 TRP B 65 -6.136 11.091 -3.080 1.00 38.94 C ATOM 2540 CZ3 TRP B 65 -3.760 10.653 -3.342 1.00 37.74 C ATOM 2541 CH2 TRP B 65 -5.072 10.212 -3.094 1.00 37.42 C ATOM 2542 HA TRP B 65 -2.405 14.599 -2.264 1.00 0.00 H ATOM 2543 HB2 TRP B 65 -3.916 16.220 -4.355 1.00 0.00 H ATOM 2544 HB3 TRP B 65 -2.876 14.839 -4.776 1.00 0.00 H ATOM 2545 HE1 TRP B 65 -7.745 13.492 -3.234 1.00 0.00 H ATOM 2546 HD1 TRP B 65 -6.387 15.670 -3.669 1.00 0.00 H ATOM 2547 HZ2 TRP B 65 -7.153 10.743 -2.898 1.00 0.00 H ATOM 2548 HH2 TRP B 65 -5.253 9.153 -2.909 1.00 0.00 H ATOM 2549 HZ3 TRP B 65 -2.944 9.930 -3.352 1.00 0.00 H ATOM 2550 HE3 TRP B 65 -2.465 12.341 -3.769 1.00 0.00 H ATOM 2551 H TRP B 65 -4.205 16.892 -2.102 1.00 0.00 H ATOM 2552 N THR B 66 -0.291 15.504 -3.410 1.00 36.09 N ATOM 2553 CA THR B 66 0.898 16.085 -4.038 1.00 37.21 C ATOM 2554 C THR B 66 0.622 16.144 -5.519 1.00 38.78 C ATOM 2555 O THR B 66 -0.310 15.498 -5.990 1.00 38.03 O ATOM 2556 CB THR B 66 2.185 15.229 -3.825 1.00 37.42 C ATOM 2557 OG1 THR B 66 2.092 13.999 -4.563 1.00 35.87 O ATOM 2558 CG2 THR B 66 2.421 14.934 -2.340 1.00 35.13 C ATOM 2559 HA THR B 66 1.081 17.061 -3.589 1.00 0.00 H ATOM 2560 HB THR B 66 3.034 15.805 -4.193 1.00 0.00 H ATOM 2561 HG1 THR B 66 1.993 14.201 -5.527 1.00 0.00 H ATOM 2562 HG23 THR B 66 2.490 15.873 -1.791 1.00 0.00 H ATOM 2563 HG21 THR B 66 1.591 14.344 -1.952 1.00 0.00 H ATOM 2564 HG22 THR B 66 3.350 14.375 -2.225 1.00 0.00 H ATOM 2565 H THR B 66 -0.289 14.504 -3.123 1.00 0.00 H ATOM 2566 N THR B 67 1.430 16.899 -6.261 1.00 40.22 N ATOM 2567 CA THR B 67 1.437 16.759 -7.717 1.00 41.96 C ATOM 2568 C THR B 67 2.060 15.393 -8.055 1.00 42.81 C ATOM 2569 O THR B 67 2.570 14.705 -7.167 1.00 41.51 O ATOM 2570 CB THR B 67 2.226 17.908 -8.419 1.00 42.90 C ATOM 2571 OG1 THR B 67 3.534 18.016 -7.850 1.00 41.97 O ATOM 2572 CG2 THR B 67 1.520 19.247 -8.247 1.00 46.11 C ATOM 2573 HA THR B 67 0.413 16.822 -8.086 1.00 0.00 H ATOM 2574 HB THR B 67 2.286 17.667 -9.480 1.00 0.00 H ATOM 2575 HG1 THR B 67 3.457 18.215 -6.883 1.00 0.00 H ATOM 2576 HG23 THR B 67 0.519 19.186 -8.675 1.00 0.00 H ATOM 2577 HG21 THR B 67 1.449 19.485 -7.186 1.00 0.00 H ATOM 2578 HG22 THR B 67 2.088 20.024 -8.758 1.00 0.00 H ATOM 2579 H THR B 67 2.058 17.590 -5.804 1.00 0.00 H ATOM 2580 N ASP B 68 2.019 14.999 -9.325 1.00 44.11 N ATOM 2581 CA ASP B 68 2.619 13.736 -9.757 1.00 46.55 C ATOM 2582 C ASP B 68 4.097 13.620 -9.402 1.00 45.76 C ATOM 2583 O ASP B 68 4.824 14.613 -9.409 1.00 45.63 O ATOM 2584 CB ASP B 68 2.451 13.576 -11.254 1.00 48.66 C ATOM 2585 CG ASP B 68 1.006 13.337 -11.642 1.00 54.85 C ATOM 2586 OD1 ASP B 68 0.380 12.416 -11.059 1.00 58.92 O ATOM 2587 OD2 ASP B 68 0.500 14.073 -12.519 1.00 61.78 O ATOM 2588 HA ASP B 68 2.097 12.943 -9.221 1.00 0.00 H ATOM 2589 HB2 ASP B 68 2.802 14.483 -11.747 1.00 0.00 H ATOM 2590 HB3 ASP B 68 3.050 12.728 -11.587 1.00 0.00 H ATOM 2591 H ASP B 68 1.549 15.604 -10.028 1.00 0.00 H ATOM 2592 N ARG B 69 4.522 12.403 -9.084 1.00 45.12 N ATOM 2593 CA ARG B 69 5.913 12.119 -8.771 1.00 45.22 C ATOM 2594 C ARG B 69 6.377 10.944 -9.599 1.00 47.09 C ATOM 2595 O ARG B 69 5.607 10.012 -9.859 1.00 47.19 O ATOM 2596 CB ARG B 69 6.075 11.752 -7.296 1.00 44.02 C ATOM 2597 CG ARG B 69 5.845 12.873 -6.314 1.00 41.78 C ATOM 2598 CD ARG B 69 7.025 13.883 -6.236 1.00 41.01 C ATOM 2599 NE ARG B 69 6.635 14.950 -5.312 1.00 41.99 N ATOM 2600 CZ ARG B 69 5.869 15.996 -5.635 1.00 41.92 C ATOM 2601 NH1 ARG B 69 5.456 16.175 -6.887 1.00 40.07 N ATOM 2602 NH2 ARG B 69 5.533 16.882 -4.707 1.00 41.01 N ATOM 2603 HA ARG B 69 6.502 13.010 -8.989 1.00 0.00 H ATOM 2604 HB2 ARG B 69 5.365 10.956 -7.069 1.00 0.00 H ATOM 2605 HB3 ARG B 69 7.091 11.383 -7.152 1.00 0.00 H ATOM 2606 HG2 ARG B 69 4.947 13.414 -6.612 1.00 0.00 H ATOM 2607 HG3 ARG B 69 5.695 12.440 -5.325 1.00 0.00 H ATOM 2608 HD2 ARG B 69 7.223 14.300 -7.223 1.00 0.00 H ATOM 2609 HD3 ARG B 69 7.920 13.381 -5.868 1.00 0.00 H ATOM 2610 HE ARG B 69 6.979 14.889 -4.333 1.00 0.00 H ATOM 2611 HH12 ARG B 69 4.860 16.993 -7.126 1.00 0.00 H ATOM 2612 HH11 ARG B 69 5.729 15.497 -7.627 1.00 0.00 H ATOM 2613 HH22 ARG B 69 4.937 17.697 -4.957 1.00 0.00 H ATOM 2614 HH21 ARG B 69 5.866 16.762 -3.729 1.00 0.00 H ATOM 2615 H ARG B 69 3.834 11.624 -9.058 1.00 0.00 H ATOM 2616 N LYS B 70 7.642 10.979 -10.002 1.00 48.24 N ATOM 2617 CA LYS B 70 8.281 9.810 -10.583 1.00 49.55 C ATOM 2618 C LYS B 70 8.678 8.888 -9.429 1.00 48.80 C ATOM 2619 O LYS B 70 9.386 9.306 -8.504 1.00 48.06 O ATOM 2620 CB LYS B 70 9.491 10.215 -11.447 1.00 50.97 C ATOM 2621 CG LYS B 70 9.159 11.312 -12.475 1.00 54.49 C ATOM 2622 CD LYS B 70 10.124 11.362 -13.677 1.00 62.97 C ATOM 2623 CE LYS B 70 9.448 12.030 -14.895 1.00 66.09 C ATOM 2624 NZ LYS B 70 10.368 12.323 -16.047 1.00 69.79 N ATOM 2625 HA LYS B 70 7.599 9.286 -11.252 1.00 0.00 H ATOM 2626 HB2 LYS B 70 10.279 10.582 -10.790 1.00 0.00 H ATOM 2627 HB3 LYS B 70 9.846 9.334 -11.982 1.00 0.00 H ATOM 2628 HG2 LYS B 70 8.152 11.135 -12.852 1.00 0.00 H ATOM 2629 HG3 LYS B 70 9.192 12.277 -11.969 1.00 0.00 H ATOM 2630 HD2 LYS B 70 11.010 11.934 -13.401 1.00 0.00 H ATOM 2631 HD3 LYS B 70 10.417 10.346 -13.943 1.00 0.00 H ATOM 2632 HE2 LYS B 70 9.008 12.971 -14.565 1.00 0.00 H ATOM 2633 HE3 LYS B 70 8.660 11.367 -15.251 1.00 0.00 H ATOM 2634 HZ1 LYS B 70 11.122 12.967 -15.732 1.00 0.00 H ATOM 2635 HZ2 LYS B 70 10.789 11.435 -16.388 1.00 0.00 H ATOM 2636 HZ3 LYS B 70 9.828 12.769 -16.816 1.00 0.00 H ATOM 2637 H LYS B 70 8.186 11.860 -9.900 1.00 0.00 H ATOM 2638 N VAL B 71 8.175 7.654 -9.467 1.00 48.74 N ATOM 2639 CA VAL B 71 8.476 6.635 -8.464 1.00 49.13 C ATOM 2640 C VAL B 71 9.137 5.454 -9.166 1.00 52.14 C ATOM 2641 O VAL B 71 8.600 4.928 -10.145 1.00 52.46 O ATOM 2642 CB VAL B 71 7.194 6.144 -7.734 1.00 48.12 C ATOM 2643 CG1 VAL B 71 7.541 5.134 -6.647 1.00 44.93 C ATOM 2644 CG2 VAL B 71 6.406 7.323 -7.147 1.00 45.78 C ATOM 2645 HA VAL B 71 9.137 7.070 -7.714 1.00 0.00 H ATOM 2646 HB VAL B 71 6.561 5.649 -8.470 1.00 0.00 H ATOM 2647 HG11 VAL B 71 8.040 4.275 -7.096 1.00 0.00 H ATOM 2648 HG12 VAL B 71 8.204 5.600 -5.918 1.00 0.00 H ATOM 2649 HG13 VAL B 71 6.627 4.807 -6.152 1.00 0.00 H ATOM 2650 HG21 VAL B 71 7.032 7.857 -6.432 1.00 0.00 H ATOM 2651 HG22 VAL B 71 6.113 7.999 -7.951 1.00 0.00 H ATOM 2652 HG23 VAL B 71 5.515 6.948 -6.643 1.00 0.00 H ATOM 2653 H VAL B 71 7.537 7.404 -10.249 1.00 0.00 H ATOM 2654 N HIS B 72 10.305 5.048 -8.673 1.00 54.68 N ATOM 2655 CA HIS B 72 11.042 3.926 -9.254 1.00 58.70 C ATOM 2656 C HIS B 72 10.650 2.603 -8.603 1.00 59.67 C ATOM 2657 O HIS B 72 11.065 2.307 -7.486 1.00 59.76 O ATOM 2658 CB HIS B 72 12.552 4.133 -9.111 1.00 59.91 C ATOM 2659 CG HIS B 72 13.140 5.062 -10.124 1.00 63.87 C ATOM 2660 ND1 HIS B 72 12.998 6.434 -10.052 1.00 66.26 N ATOM 2661 CD2 HIS B 72 13.891 4.818 -11.225 1.00 68.38 C ATOM 2662 CE1 HIS B 72 13.627 6.992 -11.071 1.00 68.42 C ATOM 2663 NE2 HIS B 72 14.178 6.034 -11.798 1.00 69.90 N ATOM 2664 HA HIS B 72 10.782 3.885 -10.312 1.00 0.00 H ATOM 2665 HB2 HIS B 72 12.750 4.539 -8.119 1.00 0.00 H ATOM 2666 HB3 HIS B 72 13.041 3.164 -9.210 1.00 0.00 H ATOM 2667 HD2 HIS B 72 14.208 3.841 -11.588 1.00 0.00 H ATOM 2668 HE1 HIS B 72 13.683 8.061 -11.278 1.00 0.00 H ATOM 2669 H HIS B 72 10.705 5.543 -7.851 1.00 0.00 H ATOM 2670 N LEU B 73 9.857 1.814 -9.314 1.00 61.86 N ATOM 2671 CA LEU B 73 9.484 0.473 -8.866 1.00 63.78 C ATOM 2672 C LEU B 73 10.439 -0.560 -9.465 1.00 67.12 C ATOM 2673 O LEU B 73 11.320 -0.197 -10.250 1.00 68.59 O ATOM 2674 CB LEU B 73 8.042 0.160 -9.271 1.00 62.85 C ATOM 2675 CG LEU B 73 6.938 1.179 -8.956 1.00 61.20 C ATOM 2676 CD1 LEU B 73 5.577 0.631 -9.388 1.00 61.36 C ATOM 2677 CD2 LEU B 73 6.909 1.563 -7.487 1.00 59.04 C ATOM 2678 HA LEU B 73 9.555 0.431 -7.779 1.00 0.00 H ATOM 2679 HB2 LEU B 73 8.039 0.011 -10.351 1.00 0.00 H ATOM 2680 HB3 LEU B 73 7.767 -0.771 -8.776 1.00 0.00 H ATOM 2681 HG LEU B 73 7.161 2.084 -9.520 1.00 0.00 H ATOM 2682 HD21 LEU B 73 6.730 0.673 -6.884 1.00 0.00 H ATOM 2683 HD22 LEU B 73 7.866 2.005 -7.209 1.00 0.00 H ATOM 2684 HD23 LEU B 73 6.111 2.286 -7.317 1.00 0.00 H ATOM 2685 HD11 LEU B 73 5.589 0.436 -10.460 1.00 0.00 H ATOM 2686 HD12 LEU B 73 5.373 -0.295 -8.851 1.00 0.00 H ATOM 2687 HD13 LEU B 73 4.803 1.363 -9.159 1.00 0.00 H ATOM 2688 H LEU B 73 9.487 2.161 -10.222 1.00 0.00 H ATOM 2689 N ALA B 74 10.248 -1.833 -9.102 1.00 69.70 N ATOM 2690 CA ALA B 74 11.111 -2.957 -9.528 1.00 73.01 C ATOM 2691 C ALA B 74 11.285 -3.055 -11.040 1.00 75.70 C ATOM 2692 O ALA B 74 12.413 -3.053 -11.543 1.00 77.71 O ATOM 2693 CB ALA B 74 10.588 -4.280 -8.970 1.00 72.91 C ATOM 2694 HA ALA B 74 12.099 -2.750 -9.116 1.00 0.00 H ATOM 2695 HB1 ALA B 74 10.578 -4.235 -7.881 1.00 0.00 H ATOM 2696 HB2 ALA B 74 9.576 -4.453 -9.337 1.00 0.00 H ATOM 2697 HB3 ALA B 74 11.238 -5.092 -9.296 1.00 0.00 H ATOM 2698 H ALA B 74 9.442 -2.046 -8.481 1.00 0.00 H ATOM 2699 N THR B 75 10.166 -3.160 -11.754 1.00 77.13 N ATOM 2700 CA THR B 75 10.162 -3.054 -13.211 1.00 79.09 C ATOM 2701 C THR B 75 9.384 -1.795 -13.584 1.00 78.70 C ATOM 2702 O THR B 75 8.148 -1.747 -13.453 1.00 78.43 O ATOM 2703 CB THR B 75 9.535 -4.300 -13.916 1.00 80.59 C ATOM 2704 OG1 THR B 75 10.096 -5.506 -13.376 1.00 81.43 O ATOM 2705 CG2 THR B 75 9.780 -4.257 -15.437 1.00 81.84 C ATOM 2706 HA THR B 75 11.195 -3.003 -13.554 1.00 0.00 H ATOM 2707 HB THR B 75 8.460 -4.283 -13.736 1.00 0.00 H ATOM 2708 HG1 THR B 75 9.692 -6.288 -13.829 1.00 0.00 H ATOM 2709 HG23 THR B 75 9.354 -3.341 -15.847 1.00 0.00 H ATOM 2710 HG21 THR B 75 10.852 -4.279 -15.632 1.00 0.00 H ATOM 2711 HG22 THR B 75 9.307 -5.120 -15.905 1.00 0.00 H ATOM 2712 H THR B 75 9.266 -3.323 -11.259 1.00 0.00 H ATOM 2713 N GLY B 76 10.124 -0.773 -14.016 1.00 78.42 N ATOM 2714 CA GLY B 76 9.540 0.456 -14.536 1.00 77.05 C ATOM 2715 C GLY B 76 9.453 1.591 -13.534 1.00 74.76 C ATOM 2716 O GLY B 76 9.423 1.372 -12.323 1.00 74.24 O ATOM 2717 HA3 GLY B 76 8.532 0.232 -14.884 1.00 0.00 H ATOM 2718 HA2 GLY B 76 10.147 0.791 -15.377 1.00 0.00 H ATOM 2719 H GLY B 76 11.160 -0.857 -13.980 1.00 0.00 H ATOM 2720 N LYS B 77 9.438 2.809 -14.065 1.00 73.43 N ATOM 2721 CA LYS B 77 9.110 4.007 -13.318 1.00 70.68 C ATOM 2722 C LYS B 77 7.614 4.205 -13.508 1.00 68.68 C ATOM 2723 O LYS B 77 7.069 3.877 -14.562 1.00 69.28 O ATOM 2724 CB LYS B 77 9.859 5.223 -13.887 1.00 71.73 C ATOM 2725 CG LYS B 77 11.390 5.253 -13.674 1.00 74.64 C ATOM 2726 CD LYS B 77 12.137 4.016 -14.238 1.00 79.79 C ATOM 2727 CE LYS B 77 12.320 4.045 -15.771 1.00 82.43 C ATOM 2728 NZ LYS B 77 13.695 4.441 -16.205 1.00 83.31 N ATOM 2729 HA LYS B 77 9.390 3.909 -12.269 1.00 0.00 H ATOM 2730 HB2 LYS B 77 9.673 5.254 -14.961 1.00 0.00 H ATOM 2731 HB3 LYS B 77 9.442 6.116 -13.422 1.00 0.00 H ATOM 2732 HG2 LYS B 77 11.786 6.143 -14.163 1.00 0.00 H ATOM 2733 HG3 LYS B 77 11.585 5.311 -12.603 1.00 0.00 H ATOM 2734 HD2 LYS B 77 13.122 3.968 -13.775 1.00 0.00 H ATOM 2735 HD3 LYS B 77 11.570 3.123 -13.976 1.00 0.00 H ATOM 2736 HE2 LYS B 77 11.608 4.757 -16.189 1.00 0.00 H ATOM 2737 HE3 LYS B 77 12.109 3.050 -16.162 1.00 0.00 H ATOM 2738 HZ1 LYS B 77 13.908 5.395 -15.849 1.00 0.00 H ATOM 2739 HZ2 LYS B 77 14.386 3.764 -15.823 1.00 0.00 H ATOM 2740 HZ3 LYS B 77 13.743 4.439 -17.244 1.00 0.00 H ATOM 2741 H LYS B 77 9.675 2.908 -15.073 1.00 0.00 H ATOM 2742 N VAL B 78 6.945 4.717 -12.485 1.00 65.21 N ATOM 2743 CA VAL B 78 5.561 5.148 -12.624 1.00 62.74 C ATOM 2744 C VAL B 78 5.435 6.588 -12.136 1.00 60.51 C ATOM 2745 O VAL B 78 6.298 7.081 -11.403 1.00 59.03 O ATOM 2746 CB VAL B 78 4.585 4.228 -11.858 1.00 62.27 C ATOM 2747 CG1 VAL B 78 4.666 2.807 -12.391 1.00 63.84 C ATOM 2748 CG2 VAL B 78 4.863 4.253 -10.356 1.00 61.13 C ATOM 2749 HA VAL B 78 5.288 5.088 -13.678 1.00 0.00 H ATOM 2750 HB VAL B 78 3.574 4.604 -12.017 1.00 0.00 H ATOM 2751 HG11 VAL B 78 4.403 2.802 -13.449 1.00 0.00 H ATOM 2752 HG12 VAL B 78 5.681 2.431 -12.266 1.00 0.00 H ATOM 2753 HG13 VAL B 78 3.972 2.173 -11.839 1.00 0.00 H ATOM 2754 HG21 VAL B 78 5.881 3.911 -10.170 1.00 0.00 H ATOM 2755 HG22 VAL B 78 4.747 5.271 -9.983 1.00 0.00 H ATOM 2756 HG23 VAL B 78 4.159 3.595 -9.846 1.00 0.00 H ATOM 2757 H VAL B 78 7.418 4.813 -11.564 1.00 0.00 H ATOM 2758 N THR B 79 4.382 7.269 -12.570 1.00 58.80 N ATOM 2759 CA THR B 79 4.068 8.566 -12.003 1.00 57.29 C ATOM 2760 C THR B 79 2.879 8.385 -11.081 1.00 54.67 C ATOM 2761 O THR B 79 1.848 7.836 -11.476 1.00 55.74 O ATOM 2762 CB THR B 79 3.791 9.651 -13.061 1.00 58.21 C ATOM 2763 OG1 THR B 79 2.605 9.317 -13.780 1.00 61.60 O ATOM 2764 CG2 THR B 79 4.973 9.788 -14.035 1.00 59.98 C ATOM 2765 HA THR B 79 4.939 8.927 -11.456 1.00 0.00 H ATOM 2766 HB THR B 79 3.659 10.607 -12.554 1.00 0.00 H ATOM 2767 HG1 THR B 79 1.843 9.265 -13.151 1.00 0.00 H ATOM 2768 HG23 THR B 79 5.874 10.043 -13.477 1.00 0.00 H ATOM 2769 HG21 THR B 79 5.123 8.843 -14.558 1.00 0.00 H ATOM 2770 HG22 THR B 79 4.757 10.574 -14.758 1.00 0.00 H ATOM 2771 H THR B 79 3.780 6.871 -13.319 1.00 0.00 H ATOM 2772 N HIS B 80 3.041 8.831 -9.844 1.00 51.13 N ATOM 2773 CA HIS B 80 2.059 8.579 -8.811 1.00 47.96 C ATOM 2774 C HIS B 80 1.939 9.817 -7.943 1.00 45.92 C ATOM 2775 O HIS B 80 2.916 10.545 -7.736 1.00 45.43 O ATOM 2776 CB HIS B 80 2.521 7.375 -7.982 1.00 47.15 C ATOM 2777 CG HIS B 80 1.456 6.771 -7.119 1.00 46.09 C ATOM 2778 ND1 HIS B 80 0.399 6.048 -7.630 1.00 46.89 N ATOM 2779 CD2 HIS B 80 1.298 6.765 -5.773 1.00 43.14 C ATOM 2780 CE1 HIS B 80 -0.368 5.628 -6.637 1.00 44.56 C ATOM 2781 NE2 HIS B 80 0.157 6.050 -5.500 1.00 44.01 N ATOM 2782 HA HIS B 80 1.083 8.357 -9.244 1.00 0.00 H ATOM 2783 HB2 HIS B 80 2.881 6.607 -8.667 1.00 0.00 H ATOM 2784 HB3 HIS B 80 3.339 7.698 -7.338 1.00 0.00 H ATOM 2785 HD2 HIS B 80 1.954 7.239 -5.043 1.00 0.00 H ATOM 2786 HE1 HIS B 80 -1.277 5.035 -6.739 1.00 0.00 H ATOM 2787 H HIS B 80 3.895 9.376 -9.609 1.00 0.00 H ATOM 2788 N SER B 81 0.747 10.060 -7.421 1.00 43.26 N ATOM 2789 CA SER B 81 0.579 11.140 -6.459 1.00 42.16 C ATOM 2790 C SER B 81 0.307 10.560 -5.074 1.00 39.16 C ATOM 2791 O SER B 81 -0.329 9.519 -4.947 1.00 38.76 O ATOM 2792 CB SER B 81 -0.552 12.068 -6.887 1.00 42.64 C ATOM 2793 OG SER B 81 -1.695 11.287 -7.155 1.00 49.34 O ATOM 2794 HA SER B 81 1.498 11.726 -6.420 1.00 0.00 H ATOM 2795 HB2 SER B 81 -0.261 12.614 -7.784 1.00 0.00 H ATOM 2796 HB3 SER B 81 -0.769 12.776 -6.087 1.00 0.00 H ATOM 2797 HG SER B 81 -1.492 10.645 -7.880 1.00 0.00 H ATOM 2798 H SER B 81 -0.070 9.479 -7.698 1.00 0.00 H ATOM 2799 N PHE B 82 0.796 11.250 -4.051 1.00 37.25 N ATOM 2800 CA PHE B 82 0.681 10.823 -2.669 1.00 35.69 C ATOM 2801 C PHE B 82 -0.191 11.769 -1.878 1.00 35.37 C ATOM 2802 O PHE B 82 -0.337 12.930 -2.246 1.00 36.30 O ATOM 2803 CB PHE B 82 2.073 10.797 -2.039 1.00 35.29 C ATOM 2804 CG PHE B 82 3.003 9.801 -2.675 1.00 33.79 C ATOM 2805 CD1 PHE B 82 3.269 8.589 -2.045 1.00 33.27 C ATOM 2806 CD2 PHE B 82 3.607 10.069 -3.903 1.00 34.38 C ATOM 2807 CE1 PHE B 82 4.129 7.641 -2.622 1.00 34.86 C ATOM 2808 CE2 PHE B 82 4.462 9.127 -4.511 1.00 34.25 C ATOM 2809 CZ PHE B 82 4.734 7.907 -3.860 1.00 35.08 C ATOM 2810 HA PHE B 82 0.228 9.832 -2.651 1.00 0.00 H ATOM 2811 HB2 PHE B 82 2.513 11.790 -2.134 1.00 0.00 H ATOM 2812 HB3 PHE B 82 1.969 10.547 -0.983 1.00 0.00 H ATOM 2813 HD2 PHE B 82 3.415 11.020 -4.400 1.00 0.00 H ATOM 2814 HE2 PHE B 82 4.911 9.342 -5.481 1.00 0.00 H ATOM 2815 HZ PHE B 82 5.407 7.178 -4.313 1.00 0.00 H ATOM 2816 HE1 PHE B 82 4.326 6.700 -2.109 1.00 0.00 H ATOM 2817 HD1 PHE B 82 2.801 8.371 -1.085 1.00 0.00 H ATOM 2818 H PHE B 82 1.288 12.144 -4.251 1.00 0.00 H ATOM 2819 N LEU B 83 -0.779 11.277 -0.790 1.00 35.26 N ATOM 2820 CA LEU B 83 -1.350 12.168 0.212 1.00 33.66 C ATOM 2821 C LEU B 83 -0.225 12.692 1.080 1.00 33.60 C ATOM 2822 O LEU B 83 0.709 11.955 1.421 1.00 33.14 O ATOM 2823 CB LEU B 83 -2.349 11.425 1.096 1.00 34.41 C ATOM 2824 CG LEU B 83 -3.645 10.955 0.424 1.00 36.08 C ATOM 2825 CD1 LEU B 83 -4.319 9.892 1.301 1.00 39.49 C ATOM 2826 CD2 LEU B 83 -4.549 12.138 0.169 1.00 33.92 C ATOM 2827 HA LEU B 83 -1.870 12.983 -0.291 1.00 0.00 H ATOM 2828 HB2 LEU B 83 -1.846 10.545 1.496 1.00 0.00 H ATOM 2829 HB3 LEU B 83 -2.623 12.089 1.916 1.00 0.00 H ATOM 2830 HG LEU B 83 -3.424 10.500 -0.541 1.00 0.00 H ATOM 2831 HD21 LEU B 83 -4.789 12.621 1.116 1.00 0.00 H ATOM 2832 HD22 LEU B 83 -4.041 12.848 -0.484 1.00 0.00 H ATOM 2833 HD23 LEU B 83 -5.467 11.796 -0.308 1.00 0.00 H ATOM 2834 HD11 LEU B 83 -3.645 9.044 1.425 1.00 0.00 H ATOM 2835 HD12 LEU B 83 -4.549 10.320 2.276 1.00 0.00 H ATOM 2836 HD13 LEU B 83 -5.240 9.559 0.823 1.00 0.00 H ATOM 2837 H LEU B 83 -0.831 10.247 -0.654 1.00 0.00 H ATOM 2838 N HIS B 84 -0.314 13.967 1.445 1.00 32.73 N ATOM 2839 CA HIS B 84 0.613 14.537 2.393 1.00 33.57 C ATOM 2840 C HIS B 84 -0.111 14.604 3.729 1.00 33.42 C ATOM 2841 O HIS B 84 -1.037 15.404 3.894 1.00 35.47 O ATOM 2842 CB HIS B 84 1.066 15.930 1.947 1.00 32.66 C ATOM 2843 CG HIS B 84 1.870 16.655 2.976 1.00 35.49 C ATOM 2844 ND1 HIS B 84 2.928 16.069 3.635 1.00 35.59 N ATOM 2845 CD2 HIS B 84 1.768 17.913 3.470 1.00 36.68 C ATOM 2846 CE1 HIS B 84 3.451 16.936 4.487 1.00 39.14 C ATOM 2847 NE2 HIS B 84 2.757 18.058 4.415 1.00 39.64 N ATOM 2848 HA HIS B 84 1.512 13.926 2.469 1.00 0.00 H ATOM 2849 HB2 HIS B 84 1.672 15.824 1.047 1.00 0.00 H ATOM 2850 HB3 HIS B 84 0.181 16.524 1.719 1.00 0.00 H ATOM 2851 HD2 HIS B 84 1.039 18.668 3.174 1.00 0.00 H ATOM 2852 HE1 HIS B 84 4.307 16.755 5.137 1.00 0.00 H ATOM 2853 H HIS B 84 -1.064 14.564 1.041 1.00 0.00 H ATOM 2854 N VAL B 85 0.291 13.735 4.656 1.00 33.37 N ATOM 2855 CA VAL B 85 -0.349 13.610 5.965 1.00 33.46 C ATOM 2856 C VAL B 85 0.727 13.845 7.029 1.00 34.31 C ATOM 2857 O VAL B 85 1.375 12.894 7.475 1.00 34.10 O ATOM 2858 CB VAL B 85 -0.986 12.199 6.175 1.00 32.79 C ATOM 2859 CG1 VAL B 85 -1.879 12.200 7.400 1.00 33.56 C ATOM 2860 CG2 VAL B 85 -1.793 11.781 4.967 1.00 33.18 C ATOM 2861 HA VAL B 85 -1.155 14.341 6.037 1.00 0.00 H ATOM 2862 HB VAL B 85 -0.174 11.486 6.317 1.00 0.00 H ATOM 2863 HG11 VAL B 85 -1.288 12.458 8.279 1.00 0.00 H ATOM 2864 HG12 VAL B 85 -2.674 12.933 7.268 1.00 0.00 H ATOM 2865 HG13 VAL B 85 -2.314 11.209 7.531 1.00 0.00 H ATOM 2866 HG21 VAL B 85 -2.592 12.503 4.798 1.00 0.00 H ATOM 2867 HG22 VAL B 85 -1.143 11.744 4.093 1.00 0.00 H ATOM 2868 HG23 VAL B 85 -2.224 10.795 5.143 1.00 0.00 H ATOM 2869 H VAL B 85 1.098 13.116 4.438 1.00 0.00 H ATOM 2870 N PRO B 86 0.933 15.110 7.430 1.00 35.98 N ATOM 2871 CA PRO B 86 1.968 15.424 8.412 1.00 36.52 C ATOM 2872 C PRO B 86 1.647 14.921 9.820 1.00 37.18 C ATOM 2873 O PRO B 86 2.548 14.837 10.646 1.00 38.23 O ATOM 2874 CB PRO B 86 2.036 16.956 8.371 1.00 37.98 C ATOM 2875 CG PRO B 86 0.694 17.385 7.875 1.00 38.04 C ATOM 2876 CD PRO B 86 0.317 16.330 6.873 1.00 36.38 C ATOM 2877 HA PRO B 86 2.911 14.933 8.173 1.00 0.00 H ATOM 2878 HD3 PRO B 86 -0.766 16.225 6.802 1.00 0.00 H ATOM 2879 HD2 PRO B 86 0.724 16.561 5.888 1.00 0.00 H ATOM 2880 HG3 PRO B 86 0.752 18.365 7.402 1.00 0.00 H ATOM 2881 HG2 PRO B 86 -0.028 17.419 8.691 1.00 0.00 H ATOM 2882 HB2 PRO B 86 2.225 17.359 9.366 1.00 0.00 H ATOM 2883 HB3 PRO B 86 2.821 17.288 7.691 1.00 0.00 H ATOM 2884 N ASP B 87 0.396 14.541 10.084 1.00 37.49 N ATOM 2885 CA ASP B 87 0.050 13.903 11.371 1.00 39.15 C ATOM 2886 C ASP B 87 0.467 12.429 11.470 1.00 38.75 C ATOM 2887 O ASP B 87 0.391 11.827 12.532 1.00 38.80 O ATOM 2888 CB ASP B 87 -1.443 14.024 11.653 1.00 40.11 C ATOM 2889 CG ASP B 87 -1.900 15.475 11.760 1.00 43.32 C ATOM 2890 OD1 ASP B 87 -1.444 16.167 12.693 1.00 48.18 O ATOM 2891 OD2 ASP B 87 -2.717 15.912 10.918 1.00 45.05 O ATOM 2892 HA ASP B 87 0.623 14.446 12.123 1.00 0.00 H ATOM 2893 HB2 ASP B 87 -1.992 13.543 10.844 1.00 0.00 H ATOM 2894 HB3 ASP B 87 -1.664 13.517 12.592 1.00 0.00 H ATOM 2895 H ASP B 87 -0.347 14.696 9.373 1.00 0.00 H ATOM 2896 N CYS B 88 0.897 11.853 10.353 1.00 38.32 N ATOM 2897 CA CYS B 88 1.264 10.442 10.295 1.00 37.65 C ATOM 2898 C CYS B 88 2.743 10.277 10.648 1.00 37.15 C ATOM 2899 O CYS B 88 3.586 11.016 10.145 1.00 36.34 O ATOM 2900 CB CYS B 88 0.958 9.915 8.892 1.00 36.93 C ATOM 2901 SG CYS B 88 0.976 8.135 8.734 1.00 40.94 S ATOM 2902 HA CYS B 88 0.687 9.866 11.019 1.00 0.00 H ATOM 2903 HB2 CYS B 88 1.702 10.323 8.207 1.00 0.00 H ATOM 2904 HB3 CYS B 88 -0.032 10.270 8.605 1.00 0.00 H ATOM 2905 HG CYS B 88 2.225 7.657 9.073 1.00 0.00 H ATOM 2906 H CYS B 88 0.975 12.428 9.490 1.00 0.00 H ATOM 2907 N PRO B 89 3.072 9.299 11.509 1.00 37.10 N ATOM 2908 CA PRO B 89 4.460 9.175 11.961 1.00 37.41 C ATOM 2909 C PRO B 89 5.444 8.692 10.890 1.00 37.96 C ATOM 2910 O PRO B 89 6.617 9.015 10.984 1.00 38.51 O ATOM 2911 CB PRO B 89 4.372 8.136 13.085 1.00 38.72 C ATOM 2912 CG PRO B 89 3.093 7.379 12.829 1.00 37.65 C ATOM 2913 CD PRO B 89 2.165 8.405 12.253 1.00 37.08 C ATOM 2914 HA PRO B 89 4.849 10.150 12.255 1.00 0.00 H ATOM 2915 HD3 PRO B 89 1.437 7.943 11.586 1.00 0.00 H ATOM 2916 HD2 PRO B 89 1.642 8.946 13.041 1.00 0.00 H ATOM 2917 HG3 PRO B 89 2.692 6.973 13.758 1.00 0.00 H ATOM 2918 HG2 PRO B 89 3.259 6.567 12.121 1.00 0.00 H ATOM 2919 HB2 PRO B 89 5.228 7.462 13.050 1.00 0.00 H ATOM 2920 HB3 PRO B 89 4.337 8.627 14.057 1.00 0.00 H ATOM 2921 N TYR B 90 4.974 7.931 9.894 1.00 37.10 N ATOM 2922 CA TYR B 90 5.847 7.403 8.841 1.00 37.44 C ATOM 2923 C TYR B 90 5.197 7.492 7.485 1.00 35.19 C ATOM 2924 O TYR B 90 3.983 7.410 7.390 1.00 34.16 O ATOM 2925 CB TYR B 90 6.157 5.903 9.047 1.00 38.27 C ATOM 2926 CG TYR B 90 6.380 5.451 10.462 1.00 42.73 C ATOM 2927 CD1 TYR B 90 7.582 5.684 11.105 1.00 44.58 C ATOM 2928 CD2 TYR B 90 5.387 4.760 11.143 1.00 45.08 C ATOM 2929 CE1 TYR B 90 7.786 5.262 12.408 1.00 49.71 C ATOM 2930 CE2 TYR B 90 5.578 4.340 12.438 1.00 48.56 C ATOM 2931 CZ TYR B 90 6.776 4.592 13.064 1.00 50.71 C ATOM 2932 OH TYR B 90 6.961 4.150 14.353 1.00 56.95 O ATOM 2933 HA TYR B 90 6.753 8.007 8.894 1.00 0.00 H ATOM 2934 HB3 TYR B 90 7.058 5.670 8.479 1.00 0.00 H ATOM 2935 HB2 TYR B 90 5.319 5.334 8.646 1.00 0.00 H ATOM 2936 HD2 TYR B 90 4.442 4.547 10.643 1.00 0.00 H ATOM 2937 HE2 TYR B 90 4.785 3.810 12.965 1.00 0.00 H ATOM 2938 HE1 TYR B 90 8.734 5.457 12.909 1.00 0.00 H ATOM 2939 HD1 TYR B 90 8.380 6.207 10.579 1.00 0.00 H ATOM 2940 HH TYR B 90 7.866 4.406 14.662 1.00 0.00 H ATOM 2941 H TYR B 90 3.959 7.707 9.866 1.00 0.00 H ATOM 2942 N PRO B 91 6.012 7.603 6.418 1.00 34.81 N ATOM 2943 CA PRO B 91 5.419 7.444 5.078 1.00 33.70 C ATOM 2944 C PRO B 91 4.847 6.036 4.948 1.00 32.78 C ATOM 2945 O PRO B 91 5.403 5.106 5.514 1.00 32.93 O ATOM 2946 CB PRO B 91 6.606 7.610 4.112 1.00 33.29 C ATOM 2947 CG PRO B 91 7.788 8.021 4.935 1.00 35.86 C ATOM 2948 CD PRO B 91 7.475 7.818 6.390 1.00 35.03 C ATOM 2949 HA PRO B 91 4.617 8.155 4.881 1.00 0.00 H ATOM 2950 HD3 PRO B 91 8.002 6.948 6.782 1.00 0.00 H ATOM 2951 HD2 PRO B 91 7.748 8.699 6.971 1.00 0.00 H ATOM 2952 HG3 PRO B 91 8.011 9.072 4.753 1.00 0.00 H ATOM 2953 HG2 PRO B 91 8.652 7.415 4.660 1.00 0.00 H ATOM 2954 HB2 PRO B 91 6.812 6.667 3.606 1.00 0.00 H ATOM 2955 HB3 PRO B 91 6.381 8.377 3.371 1.00 0.00 H ATOM 2956 N LEU B 92 3.756 5.878 4.204 1.00 31.94 N ATOM 2957 CA LEU B 92 3.077 4.590 4.129 1.00 32.12 C ATOM 2958 C LEU B 92 2.983 4.187 2.688 1.00 32.83 C ATOM 2959 O LEU B 92 2.611 4.988 1.842 1.00 31.50 O ATOM 2960 CB LEU B 92 1.656 4.684 4.697 1.00 31.46 C ATOM 2961 CG LEU B 92 1.475 5.304 6.074 1.00 33.71 C ATOM 2962 CD1 LEU B 92 -0.003 5.310 6.417 1.00 34.16 C ATOM 2963 CD2 LEU B 92 2.271 4.531 7.127 1.00 33.31 C ATOM 2964 HA LEU B 92 3.642 3.861 4.710 1.00 0.00 H ATOM 2965 HB2 LEU B 92 1.065 5.274 3.996 1.00 0.00 H ATOM 2966 HB3 LEU B 92 1.258 3.670 4.743 1.00 0.00 H ATOM 2967 HG LEU B 92 1.852 6.327 6.064 1.00 0.00 H ATOM 2968 HD21 LEU B 92 1.923 3.498 7.158 1.00 0.00 H ATOM 2969 HD22 LEU B 92 3.330 4.552 6.868 1.00 0.00 H ATOM 2970 HD23 LEU B 92 2.125 4.994 8.103 1.00 0.00 H ATOM 2971 HD11 LEU B 92 -0.545 5.895 5.674 1.00 0.00 H ATOM 2972 HD12 LEU B 92 -0.378 4.287 6.420 1.00 0.00 H ATOM 2973 HD13 LEU B 92 -0.144 5.753 7.403 1.00 0.00 H ATOM 2974 H LEU B 92 3.381 6.686 3.667 1.00 0.00 H ATOM 2975 N LEU B 93 3.336 2.941 2.411 1.00 33.74 N ATOM 2976 CA LEU B 93 3.159 2.379 1.098 1.00 35.54 C ATOM 2977 C LEU B 93 1.881 1.546 1.151 1.00 36.17 C ATOM 2978 O LEU B 93 1.843 0.446 1.757 1.00 36.76 O ATOM 2979 CB LEU B 93 4.377 1.523 0.749 1.00 36.79 C ATOM 2980 CG LEU B 93 4.728 1.178 -0.696 1.00 40.69 C ATOM 2981 CD1 LEU B 93 3.792 0.174 -1.283 1.00 45.94 C ATOM 2982 CD2 LEU B 93 4.790 2.448 -1.537 1.00 46.73 C ATOM 2983 HA LEU B 93 3.071 3.145 0.328 1.00 0.00 H ATOM 2984 HB2 LEU B 93 5.244 2.041 1.160 1.00 0.00 H ATOM 2985 HB3 LEU B 93 4.243 0.573 1.267 1.00 0.00 H ATOM 2986 HG LEU B 93 5.713 0.711 -0.698 1.00 0.00 H ATOM 2987 HD21 LEU B 93 3.821 2.946 -1.513 1.00 0.00 H ATOM 2988 HD22 LEU B 93 5.552 3.114 -1.132 1.00 0.00 H ATOM 2989 HD23 LEU B 93 5.041 2.189 -2.566 1.00 0.00 H ATOM 2990 HD11 LEU B 93 3.832 -0.744 -0.697 1.00 0.00 H ATOM 2991 HD12 LEU B 93 2.778 0.572 -1.268 1.00 0.00 H ATOM 2992 HD13 LEU B 93 4.085 -0.037 -2.311 1.00 0.00 H ATOM 2993 H LEU B 93 3.752 2.353 3.162 1.00 0.00 H ATOM 2994 N GLY B 94 0.831 2.079 0.537 1.00 35.64 N ATOM 2995 CA GLY B 94 -0.489 1.496 0.646 1.00 35.28 C ATOM 2996 C GLY B 94 -0.842 0.573 -0.502 1.00 36.20 C ATOM 2997 O GLY B 94 0.002 0.245 -1.353 1.00 35.94 O ATOM 2998 HA3 GLY B 94 -1.221 2.303 0.677 1.00 0.00 H ATOM 2999 HA2 GLY B 94 -0.539 0.926 1.574 1.00 0.00 H ATOM 3000 H GLY B 94 0.961 2.937 -0.037 1.00 0.00 H ATOM 3001 N ARG B 95 -2.111 0.177 -0.540 1.00 36.82 N ATOM 3002 CA ARG B 95 -2.583 -0.828 -1.486 1.00 37.74 C ATOM 3003 C ARG B 95 -2.467 -0.395 -2.947 1.00 38.91 C ATOM 3004 O ARG B 95 -2.344 -1.253 -3.827 1.00 40.10 O ATOM 3005 CB ARG B 95 -4.018 -1.250 -1.165 1.00 38.47 C ATOM 3006 CG ARG B 95 -4.140 -2.007 0.155 1.00 37.51 C ATOM 3007 CD ARG B 95 -5.509 -2.657 0.295 1.00 40.42 C ATOM 3008 NE ARG B 95 -6.637 -1.725 0.169 1.00 41.36 N ATOM 3009 CZ ARG B 95 -7.111 -0.959 1.148 1.00 40.26 C ATOM 3010 NH1 ARG B 95 -6.564 -0.964 2.363 1.00 38.55 N ATOM 3011 NH2 ARG B 95 -8.137 -0.162 0.909 1.00 40.18 N ATOM 3012 HA ARG B 95 -1.920 -1.685 -1.366 1.00 0.00 H ATOM 3013 HB2 ARG B 95 -4.639 -0.356 -1.111 1.00 0.00 H ATOM 3014 HB3 ARG B 95 -4.379 -1.893 -1.968 1.00 0.00 H ATOM 3015 HG2 ARG B 95 -3.373 -2.781 0.193 1.00 0.00 H ATOM 3016 HG3 ARG B 95 -3.992 -1.310 0.980 1.00 0.00 H ATOM 3017 HD2 ARG B 95 -5.564 -3.129 1.276 1.00 0.00 H ATOM 3018 HD3 ARG B 95 -5.607 -3.418 -0.479 1.00 0.00 H ATOM 3019 HE ARG B 95 -7.102 -1.659 -0.759 1.00 0.00 H ATOM 3020 HH12 ARG B 95 -6.954 -0.356 3.111 1.00 0.00 H ATOM 3021 HH11 ARG B 95 -5.748 -1.576 2.563 1.00 0.00 H ATOM 3022 HH22 ARG B 95 -8.515 0.441 1.668 1.00 0.00 H ATOM 3023 HH21 ARG B 95 -8.567 -0.137 -0.038 1.00 0.00 H ATOM 3024 H ARG B 95 -2.789 0.598 0.127 1.00 0.00 H ATOM 3025 N ASP B 96 -2.496 0.918 -3.193 1.00 37.70 N ATOM 3026 CA ASP B 96 -2.301 1.479 -4.529 1.00 38.80 C ATOM 3027 C ASP B 96 -0.980 1.082 -5.187 1.00 39.86 C ATOM 3028 O ASP B 96 -0.967 0.683 -6.346 1.00 40.84 O ATOM 3029 CB ASP B 96 -2.436 3.014 -4.523 1.00 38.39 C ATOM 3030 CG ASP B 96 -1.528 3.695 -3.489 1.00 39.39 C ATOM 3031 OD1 ASP B 96 -0.976 3.002 -2.594 1.00 39.10 O ATOM 3032 OD2 ASP B 96 -1.376 4.934 -3.569 1.00 38.33 O ATOM 3033 HA ASP B 96 -3.097 1.043 -5.132 1.00 0.00 H ATOM 3034 HB2 ASP B 96 -2.177 3.389 -5.513 1.00 0.00 H ATOM 3035 HB3 ASP B 96 -3.471 3.271 -4.298 1.00 0.00 H ATOM 3036 H ASP B 96 -2.665 1.569 -2.400 1.00 0.00 H ATOM 3037 N LEU B 97 0.130 1.216 -4.462 1.00 38.89 N ATOM 3038 CA LEU B 97 1.444 0.878 -5.025 1.00 39.22 C ATOM 3039 C LEU B 97 1.805 -0.601 -4.846 1.00 39.63 C ATOM 3040 O LEU B 97 2.525 -1.184 -5.677 1.00 40.96 O ATOM 3041 CB LEU B 97 2.531 1.776 -4.441 1.00 38.86 C ATOM 3042 CG LEU B 97 2.511 3.196 -5.001 1.00 40.64 C ATOM 3043 CD1 LEU B 97 3.429 4.066 -4.196 1.00 42.97 C ATOM 3044 CD2 LEU B 97 2.923 3.217 -6.476 1.00 43.14 C ATOM 3045 HA LEU B 97 1.379 1.056 -6.098 1.00 0.00 H ATOM 3046 HB2 LEU B 97 2.393 1.828 -3.361 1.00 0.00 H ATOM 3047 HB3 LEU B 97 3.502 1.331 -4.661 1.00 0.00 H ATOM 3048 HG LEU B 97 1.493 3.579 -4.934 1.00 0.00 H ATOM 3049 HD21 LEU B 97 3.932 2.818 -6.576 1.00 0.00 H ATOM 3050 HD22 LEU B 97 2.230 2.605 -7.054 1.00 0.00 H ATOM 3051 HD23 LEU B 97 2.898 4.243 -6.844 1.00 0.00 H ATOM 3052 HD11 LEU B 97 3.097 4.080 -3.158 1.00 0.00 H ATOM 3053 HD12 LEU B 97 4.443 3.669 -4.249 1.00 0.00 H ATOM 3054 HD13 LEU B 97 3.413 5.079 -4.598 1.00 0.00 H ATOM 3055 H LEU B 97 0.065 1.565 -3.484 1.00 0.00 H ATOM 3056 N LEU B 98 1.301 -1.209 -3.774 1.00 38.71 N ATOM 3057 CA LEU B 98 1.417 -2.645 -3.581 1.00 39.78 C ATOM 3058 C LEU B 98 0.842 -3.407 -4.787 1.00 42.29 C ATOM 3059 O LEU B 98 1.441 -4.380 -5.252 1.00 43.01 O ATOM 3060 CB LEU B 98 0.739 -3.064 -2.276 1.00 39.13 C ATOM 3061 CG LEU B 98 1.538 -2.674 -1.030 1.00 37.92 C ATOM 3062 CD1 LEU B 98 0.704 -2.873 0.237 1.00 38.84 C ATOM 3063 CD2 LEU B 98 2.871 -3.425 -0.959 1.00 39.94 C ATOM 3064 HA LEU B 98 2.474 -2.902 -3.506 1.00 0.00 H ATOM 3065 HB2 LEU B 98 -0.239 -2.586 -2.224 1.00 0.00 H ATOM 3066 HB3 LEU B 98 0.613 -4.147 -2.283 1.00 0.00 H ATOM 3067 HG LEU B 98 1.777 -1.613 -1.103 1.00 0.00 H ATOM 3068 HD21 LEU B 98 2.681 -4.498 -0.925 1.00 0.00 H ATOM 3069 HD22 LEU B 98 3.468 -3.188 -1.840 1.00 0.00 H ATOM 3070 HD23 LEU B 98 3.410 -3.122 -0.061 1.00 0.00 H ATOM 3071 HD11 LEU B 98 -0.189 -2.251 0.184 1.00 0.00 H ATOM 3072 HD12 LEU B 98 0.415 -3.921 0.319 1.00 0.00 H ATOM 3073 HD13 LEU B 98 1.295 -2.589 1.108 1.00 0.00 H ATOM 3074 H LEU B 98 0.811 -0.640 -3.054 1.00 0.00 H ATOM 3075 N THR B 99 -0.303 -2.956 -5.295 1.00 43.50 N ATOM 3076 CA THR B 99 -0.865 -3.524 -6.519 1.00 47.35 C ATOM 3077 C THR B 99 0.082 -3.329 -7.699 1.00 49.24 C ATOM 3078 O THR B 99 0.343 -4.279 -8.440 1.00 50.75 O ATOM 3079 CB THR B 99 -2.219 -2.926 -6.870 1.00 46.74 C ATOM 3080 OG1 THR B 99 -3.150 -3.245 -5.830 1.00 48.22 O ATOM 3081 CG2 THR B 99 -2.725 -3.531 -8.168 1.00 51.52 C ATOM 3082 HA THR B 99 -1.000 -4.588 -6.324 1.00 0.00 H ATOM 3083 HB THR B 99 -2.120 -1.846 -6.979 1.00 0.00 H ATOM 3084 HG1 THR B 99 -2.828 -2.867 -4.973 1.00 0.00 H ATOM 3085 HG23 THR B 99 -2.027 -3.298 -8.972 1.00 0.00 H ATOM 3086 HG21 THR B 99 -2.805 -4.612 -8.057 1.00 0.00 H ATOM 3087 HG22 THR B 99 -3.705 -3.116 -8.403 1.00 0.00 H ATOM 3088 H THR B 99 -0.807 -2.185 -4.812 1.00 0.00 H ATOM 3089 N LYS B 100 0.610 -2.112 -7.853 1.00 50.01 N ATOM 3090 CA LYS B 100 1.509 -1.806 -8.970 1.00 52.40 C ATOM 3091 C LYS B 100 2.810 -2.598 -8.893 1.00 52.90 C ATOM 3092 O LYS B 100 3.361 -2.993 -9.916 1.00 54.36 O ATOM 3093 CB LYS B 100 1.805 -0.306 -9.061 1.00 52.35 C ATOM 3094 CG LYS B 100 0.693 0.547 -9.671 1.00 54.77 C ATOM 3095 CD LYS B 100 1.180 2.007 -9.830 1.00 58.43 C ATOM 3096 CE LYS B 100 0.100 2.941 -10.391 1.00 62.06 C ATOM 3097 NZ LYS B 100 0.475 4.404 -10.297 1.00 63.27 N ATOM 3098 HA LYS B 100 0.987 -2.109 -9.878 1.00 0.00 H ATOM 3099 HB2 LYS B 100 1.996 0.061 -8.053 1.00 0.00 H ATOM 3100 HB3 LYS B 100 2.700 -0.176 -9.669 1.00 0.00 H ATOM 3101 HG2 LYS B 100 0.424 0.146 -10.648 1.00 0.00 H ATOM 3102 HG3 LYS B 100 -0.180 0.525 -9.018 1.00 0.00 H ATOM 3103 HD2 LYS B 100 1.488 2.379 -8.853 1.00 0.00 H ATOM 3104 HD3 LYS B 100 2.034 2.017 -10.507 1.00 0.00 H ATOM 3105 HE2 LYS B 100 -0.822 2.782 -9.831 1.00 0.00 H ATOM 3106 HE3 LYS B 100 -0.065 2.691 -11.439 1.00 0.00 H ATOM 3107 HZ1 LYS B 100 0.626 4.658 -9.300 1.00 0.00 H ATOM 3108 HZ2 LYS B 100 1.349 4.572 -10.835 1.00 0.00 H ATOM 3109 HZ3 LYS B 100 -0.293 4.984 -10.691 1.00 0.00 H ATOM 3110 H LYS B 100 0.379 -1.366 -7.166 1.00 0.00 H ATOM 3111 N LEU B 101 3.299 -2.826 -7.680 1.00 52.21 N ATOM 3112 CA LEU B 101 4.500 -3.619 -7.482 1.00 53.29 C ATOM 3113 C LEU B 101 4.225 -5.116 -7.548 1.00 54.21 C ATOM 3114 O LEU B 101 5.165 -5.904 -7.600 1.00 55.22 O ATOM 3115 CB LEU B 101 5.114 -3.325 -6.123 1.00 52.54 C ATOM 3116 CG LEU B 101 5.970 -2.081 -5.961 1.00 53.24 C ATOM 3117 CD1 LEU B 101 6.103 -1.797 -4.472 1.00 54.54 C ATOM 3118 CD2 LEU B 101 7.332 -2.285 -6.609 1.00 55.15 C ATOM 3119 HA LEU B 101 5.181 -3.345 -8.288 1.00 0.00 H ATOM 3120 HB2 LEU B 101 4.293 -3.244 -5.411 1.00 0.00 H ATOM 3121 HB3 LEU B 101 5.738 -4.180 -5.861 1.00 0.00 H ATOM 3122 HG LEU B 101 5.505 -1.229 -6.457 1.00 0.00 H ATOM 3123 HD21 LEU B 101 7.836 -3.127 -6.135 1.00 0.00 H ATOM 3124 HD22 LEU B 101 7.200 -2.490 -7.671 1.00 0.00 H ATOM 3125 HD23 LEU B 101 7.932 -1.383 -6.483 1.00 0.00 H ATOM 3126 HD11 LEU B 101 5.114 -1.634 -4.045 1.00 0.00 H ATOM 3127 HD12 LEU B 101 6.576 -2.648 -3.982 1.00 0.00 H ATOM 3128 HD13 LEU B 101 6.714 -0.906 -4.326 1.00 0.00 H ATOM 3129 H LEU B 101 2.811 -2.428 -6.852 1.00 0.00 H ATOM 3130 N LYS B 102 2.946 -5.498 -7.524 1.00 54.15 N ATOM 3131 CA LYS B 102 2.543 -6.903 -7.384 1.00 55.03 C ATOM 3132 C LYS B 102 3.290 -7.554 -6.219 1.00 53.72 C ATOM 3133 O LYS B 102 3.791 -8.679 -6.343 1.00 54.93 O ATOM 3134 CB LYS B 102 2.802 -7.681 -8.689 1.00 57.25 C ATOM 3135 CG LYS B 102 2.098 -7.118 -9.925 1.00 60.39 C ATOM 3136 CD LYS B 102 0.638 -7.546 -9.980 1.00 67.05 C ATOM 3137 CE LYS B 102 -0.082 -6.936 -11.182 1.00 71.36 C ATOM 3138 NZ LYS B 102 -0.600 -5.573 -10.867 1.00 71.66 N ATOM 3139 HA LYS B 102 1.473 -6.933 -7.177 1.00 0.00 H ATOM 3140 HB2 LYS B 102 3.875 -7.677 -8.879 1.00 0.00 H ATOM 3141 HB3 LYS B 102 2.464 -8.707 -8.545 1.00 0.00 H ATOM 3142 HG2 LYS B 102 2.147 -6.030 -9.896 1.00 0.00 H ATOM 3143 HG3 LYS B 102 2.607 -7.480 -10.818 1.00 0.00 H ATOM 3144 HD2 LYS B 102 0.590 -8.633 -10.053 1.00 0.00 H ATOM 3145 HD3 LYS B 102 0.139 -7.222 -9.067 1.00 0.00 H ATOM 3146 HE2 LYS B 102 -0.917 -7.579 -11.460 1.00 0.00 H ATOM 3147 HE3 LYS B 102 0.615 -6.867 -12.017 1.00 0.00 H ATOM 3148 HZ1 LYS B 102 -1.270 -5.633 -10.074 1.00 0.00 H ATOM 3149 HZ2 LYS B 102 0.194 -4.954 -10.606 1.00 0.00 H ATOM 3150 HZ3 LYS B 102 -1.083 -5.186 -11.702 1.00 0.00 H ATOM 3151 H LYS B 102 2.206 -4.772 -7.608 1.00 0.00 H ATOM 3152 N ALA B 103 3.363 -6.848 -5.092 1.00 50.60 N ATOM 3153 CA ALA B 103 4.200 -7.273 -3.986 1.00 49.18 C ATOM 3154 C ALA B 103 3.617 -8.448 -3.209 1.00 48.93 C ATOM 3155 O ALA B 103 2.418 -8.722 -3.287 1.00 48.04 O ATOM 3156 CB ALA B 103 4.482 -6.118 -3.057 1.00 48.31 C ATOM 3157 HA ALA B 103 5.135 -7.621 -4.425 1.00 0.00 H ATOM 3158 HB1 ALA B 103 4.996 -5.329 -3.606 1.00 0.00 H ATOM 3159 HB2 ALA B 103 3.542 -5.734 -2.661 1.00 0.00 H ATOM 3160 HB3 ALA B 103 5.111 -6.460 -2.235 1.00 0.00 H ATOM 3161 H ALA B 103 2.808 -5.973 -5.003 1.00 0.00 H ATOM 3162 N GLN B 104 4.495 -9.149 -2.493 1.00 48.54 N ATOM 3163 CA GLN B 104 4.100 -10.133 -1.493 1.00 49.72 C ATOM 3164 C GLN B 104 4.722 -9.744 -0.168 1.00 48.28 C ATOM 3165 O GLN B 104 5.870 -9.313 -0.129 1.00 48.57 O ATOM 3166 CB GLN B 104 4.599 -11.532 -1.840 1.00 50.79 C ATOM 3167 CG GLN B 104 4.176 -12.084 -3.181 1.00 54.70 C ATOM 3168 CD GLN B 104 4.869 -13.410 -3.476 1.00 59.81 C ATOM 3169 OE1 GLN B 104 5.294 -14.123 -2.563 1.00 59.59 O ATOM 3170 NE2 GLN B 104 4.991 -13.741 -4.754 1.00 62.95 N ATOM 3171 HA GLN B 104 3.011 -10.149 -1.451 1.00 0.00 H ATOM 3172 HB2 GLN B 104 5.689 -11.510 -1.819 1.00 0.00 H ATOM 3173 HB3 GLN B 104 4.236 -12.214 -1.071 1.00 0.00 H ATOM 3174 HG2 GLN B 104 3.097 -12.240 -3.177 1.00 0.00 H ATOM 3175 HG3 GLN B 104 4.436 -11.366 -3.959 1.00 0.00 H ATOM 3176 HE22 GLN B 104 4.618 -13.111 -5.492 1.00 0.00 H ATOM 3177 HE21 GLN B 104 5.459 -14.631 -5.018 1.00 0.00 H ATOM 3178 H GLN B 104 5.509 -8.987 -2.655 1.00 0.00 H ATOM 3179 N ILE B 105 3.973 -9.916 0.917 1.00 47.84 N ATOM 3180 CA ILE B 105 4.492 -9.643 2.252 1.00 47.22 C ATOM 3181 C ILE B 105 4.532 -10.947 3.046 1.00 48.66 C ATOM 3182 O ILE B 105 3.526 -11.643 3.156 1.00 49.12 O ATOM 3183 CB ILE B 105 3.640 -8.573 2.981 1.00 46.53 C ATOM 3184 CG1 ILE B 105 3.662 -7.258 2.196 1.00 45.33 C ATOM 3185 CG2 ILE B 105 4.157 -8.335 4.391 1.00 44.35 C ATOM 3186 CD1 ILE B 105 2.397 -6.454 2.345 1.00 46.29 C ATOM 3187 HA ILE B 105 5.501 -9.241 2.166 1.00 0.00 H ATOM 3188 HB ILE B 105 2.616 -8.941 3.044 1.00 0.00 H ATOM 3189 HG12 ILE B 105 4.499 -6.656 2.552 1.00 0.00 H ATOM 3190 HG13 ILE B 105 3.804 -7.487 1.140 1.00 0.00 H ATOM 3191 HD11 ILE B 105 1.551 -7.039 1.983 1.00 0.00 H ATOM 3192 HD12 ILE B 105 2.247 -6.207 3.396 1.00 0.00 H ATOM 3193 HD13 ILE B 105 2.481 -5.536 1.763 1.00 0.00 H ATOM 3194 HG21 ILE B 105 4.109 -9.266 4.956 1.00 0.00 H ATOM 3195 HG22 ILE B 105 5.190 -7.989 4.344 1.00 0.00 H ATOM 3196 HG23 ILE B 105 3.541 -7.580 4.880 1.00 0.00 H ATOM 3197 H ILE B 105 2.995 -10.253 0.811 1.00 0.00 H ATOM 3198 N HIS B 106 5.697 -11.276 3.590 1.00 49.31 N ATOM 3199 CA HIS B 106 5.865 -12.519 4.325 1.00 51.74 C ATOM 3200 C HIS B 106 6.179 -12.246 5.791 1.00 52.41 C ATOM 3201 O HIS B 106 7.115 -11.509 6.098 1.00 52.38 O ATOM 3202 CB HIS B 106 6.992 -13.346 3.691 1.00 52.92 C ATOM 3203 CG HIS B 106 6.698 -13.788 2.297 1.00 55.03 C ATOM 3204 ND1 HIS B 106 6.664 -15.113 1.931 1.00 59.71 N ATOM 3205 CD2 HIS B 106 6.402 -13.082 1.179 1.00 57.86 C ATOM 3206 CE1 HIS B 106 6.372 -15.204 0.645 1.00 61.62 C ATOM 3207 NE2 HIS B 106 6.206 -13.986 0.166 1.00 58.17 N ATOM 3208 HA HIS B 106 4.932 -13.080 4.276 1.00 0.00 H ATOM 3209 HB2 HIS B 106 7.898 -12.740 3.677 1.00 0.00 H ATOM 3210 HB3 HIS B 106 7.158 -14.231 4.305 1.00 0.00 H ATOM 3211 HD2 HIS B 106 6.333 -11.997 1.099 1.00 0.00 H ATOM 3212 HE1 HIS B 106 6.283 -16.130 0.076 1.00 0.00 H ATOM 3213 H HIS B 106 6.507 -10.631 3.488 1.00 0.00 H ATOM 3214 N PHE B 107 5.390 -12.822 6.692 1.00 53.60 N ATOM 3215 CA PHE B 107 5.711 -12.780 8.118 1.00 55.47 C ATOM 3216 C PHE B 107 6.461 -14.053 8.515 1.00 59.50 C ATOM 3217 O PHE B 107 5.985 -15.158 8.281 1.00 60.00 O ATOM 3218 CB PHE B 107 4.451 -12.571 8.962 1.00 53.70 C ATOM 3219 CG PHE B 107 3.944 -11.159 8.937 1.00 49.90 C ATOM 3220 CD1 PHE B 107 4.211 -10.295 9.998 1.00 46.04 C ATOM 3221 CD2 PHE B 107 3.219 -10.683 7.843 1.00 44.05 C ATOM 3222 CE1 PHE B 107 3.757 -8.975 9.977 1.00 44.80 C ATOM 3223 CE2 PHE B 107 2.761 -9.368 7.807 1.00 43.78 C ATOM 3224 CZ PHE B 107 3.032 -8.509 8.876 1.00 42.84 C ATOM 3225 HA PHE B 107 6.361 -11.927 8.312 1.00 0.00 H ATOM 3226 HB2 PHE B 107 3.668 -13.226 8.582 1.00 0.00 H ATOM 3227 HB3 PHE B 107 4.678 -12.839 9.994 1.00 0.00 H ATOM 3228 HD2 PHE B 107 3.009 -11.349 7.006 1.00 0.00 H ATOM 3229 HE2 PHE B 107 2.193 -9.010 6.948 1.00 0.00 H ATOM 3230 HZ PHE B 107 2.679 -7.478 8.851 1.00 0.00 H ATOM 3231 HE1 PHE B 107 3.967 -8.311 10.815 1.00 0.00 H ATOM 3232 HD1 PHE B 107 4.781 -10.655 10.855 1.00 0.00 H ATOM 3233 H PHE B 107 4.528 -13.312 6.377 1.00 0.00 H ATOM 3234 N GLU B 108 7.652 -13.881 9.080 1.00 63.73 N ATOM 3235 CA GLU B 108 8.574 -14.990 9.366 1.00 68.77 C ATOM 3236 C GLU B 108 9.363 -14.647 10.625 1.00 70.68 C ATOM 3237 O GLU B 108 9.852 -13.508 10.772 1.00 71.31 O ATOM 3238 CB GLU B 108 9.547 -15.226 8.201 1.00 69.67 C ATOM 3239 CG GLU B 108 8.953 -15.880 6.945 1.00 73.68 C ATOM 3240 CD GLU B 108 9.904 -15.812 5.739 1.00 79.84 C ATOM 3241 OE1 GLU B 108 9.694 -14.938 4.860 1.00 81.45 O ATOM 3242 OE2 GLU B 108 10.867 -16.618 5.669 1.00 82.63 O ATOM 3243 HA GLU B 108 7.995 -15.903 9.507 1.00 0.00 H ATOM 3244 HB2 GLU B 108 9.959 -14.260 7.910 1.00 0.00 H ATOM 3245 HB3 GLU B 108 10.350 -15.868 8.563 1.00 0.00 H ATOM 3246 HG2 GLU B 108 8.739 -16.926 7.163 1.00 0.00 H ATOM 3247 HG3 GLU B 108 8.026 -15.367 6.689 1.00 0.00 H ATOM 3248 H GLU B 108 7.946 -12.916 9.332 1.00 0.00 H ATOM 3249 N GLY B 109 9.509 -15.633 11.514 1.00 72.79 N ATOM 3250 CA GLY B 109 10.001 -15.388 12.870 1.00 73.83 C ATOM 3251 C GLY B 109 9.139 -14.294 13.480 1.00 73.58 C ATOM 3252 O GLY B 109 7.909 -14.433 13.564 1.00 73.44 O ATOM 3253 HA3 GLY B 109 11.042 -15.066 12.836 1.00 0.00 H ATOM 3254 HA2 GLY B 109 9.923 -16.298 13.464 1.00 0.00 H ATOM 3255 H GLY B 109 9.266 -16.605 11.234 1.00 0.00 H ATOM 3256 N SER B 110 9.788 -13.202 13.882 1.00 73.13 N ATOM 3257 CA SER B 110 9.095 -12.000 14.339 1.00 72.17 C ATOM 3258 C SER B 110 9.288 -10.860 13.340 1.00 70.58 C ATOM 3259 O SER B 110 8.735 -9.771 13.522 1.00 70.65 O ATOM 3260 CB SER B 110 9.603 -11.573 15.715 1.00 73.00 C ATOM 3261 OG SER B 110 10.998 -11.339 15.661 1.00 74.72 O ATOM 3262 HA SER B 110 8.032 -12.231 14.414 1.00 0.00 H ATOM 3263 HB2 SER B 110 9.396 -12.362 16.438 1.00 0.00 H ATOM 3264 HB3 SER B 110 9.094 -10.659 16.021 1.00 0.00 H ATOM 3265 HG SER B 110 11.320 -11.063 16.556 1.00 0.00 H ATOM 3266 H SER B 110 10.828 -13.206 13.870 1.00 0.00 H ATOM 3267 N GLY B 111 10.077 -11.108 12.293 1.00 69.43 N ATOM 3268 CA GLY B 111 10.258 -10.124 11.222 1.00 66.75 C ATOM 3269 C GLY B 111 9.131 -10.117 10.194 1.00 64.07 C ATOM 3270 O GLY B 111 8.170 -10.884 10.296 1.00 64.32 O ATOM 3271 HA3 GLY B 111 11.192 -10.345 10.706 1.00 0.00 H ATOM 3272 HA2 GLY B 111 10.319 -9.133 11.672 1.00 0.00 H ATOM 3273 H GLY B 111 10.574 -12.020 12.236 1.00 0.00 H ATOM 3274 N ALA B 112 9.253 -9.239 9.206 1.00 61.40 N ATOM 3275 CA ALA B 112 8.377 -9.248 8.044 1.00 59.48 C ATOM 3276 C ALA B 112 9.165 -8.733 6.856 1.00 58.83 C ATOM 3277 O ALA B 112 9.899 -7.755 6.977 1.00 58.52 O ATOM 3278 CB ALA B 112 7.145 -8.399 8.285 1.00 58.18 C ATOM 3279 HA ALA B 112 8.031 -10.263 7.849 1.00 0.00 H ATOM 3280 HB1 ALA B 112 6.596 -8.793 9.140 1.00 0.00 H ATOM 3281 HB2 ALA B 112 7.447 -7.371 8.487 1.00 0.00 H ATOM 3282 HB3 ALA B 112 6.509 -8.424 7.400 1.00 0.00 H ATOM 3283 H ALA B 112 10.001 -8.519 9.264 1.00 0.00 H ATOM 3284 N GLN B 113 9.031 -9.399 5.713 1.00 58.92 N ATOM 3285 CA GLN B 113 9.754 -8.985 4.503 1.00 58.93 C ATOM 3286 C GLN B 113 8.821 -8.773 3.311 1.00 57.50 C ATOM 3287 O GLN B 113 7.776 -9.430 3.186 1.00 56.28 O ATOM 3288 CB GLN B 113 10.875 -9.973 4.148 1.00 60.99 C ATOM 3289 CG GLN B 113 12.108 -9.307 3.497 1.00 65.86 C ATOM 3290 CD GLN B 113 12.970 -8.497 4.493 1.00 70.01 C ATOM 3291 OE1 GLN B 113 12.899 -7.262 4.544 1.00 69.92 O ATOM 3292 NE2 GLN B 113 13.779 -9.201 5.284 1.00 71.96 N ATOM 3293 HA GLN B 113 10.210 -8.022 4.732 1.00 0.00 H ATOM 3294 HB2 GLN B 113 11.196 -10.472 5.062 1.00 0.00 H ATOM 3295 HB3 GLN B 113 10.476 -10.712 3.453 1.00 0.00 H ATOM 3296 HG2 GLN B 113 12.730 -10.087 3.057 1.00 0.00 H ATOM 3297 HG3 GLN B 113 11.763 -8.634 2.712 1.00 0.00 H ATOM 3298 HE22 GLN B 113 13.808 -10.238 5.208 1.00 0.00 H ATOM 3299 HE21 GLN B 113 14.382 -8.714 5.977 1.00 0.00 H ATOM 3300 H GLN B 113 8.403 -10.227 5.675 1.00 0.00 H ATOM 3301 N VAL B 114 9.210 -7.841 2.446 1.00 56.25 N ATOM 3302 CA VAL B 114 8.438 -7.515 1.253 1.00 55.80 C ATOM 3303 C VAL B 114 9.195 -8.022 0.053 1.00 56.55 C ATOM 3304 O VAL B 114 10.383 -7.741 -0.090 1.00 56.80 O ATOM 3305 CB VAL B 114 8.250 -5.990 1.077 1.00 55.34 C ATOM 3306 CG1 VAL B 114 7.125 -5.705 0.080 1.00 54.26 C ATOM 3307 CG2 VAL B 114 7.969 -5.329 2.411 1.00 53.64 C ATOM 3308 HA VAL B 114 7.455 -7.975 1.352 1.00 0.00 H ATOM 3309 HB VAL B 114 9.174 -5.570 0.681 1.00 0.00 H ATOM 3310 HG11 VAL B 114 7.375 -6.147 -0.884 1.00 0.00 H ATOM 3311 HG12 VAL B 114 6.196 -6.138 0.449 1.00 0.00 H ATOM 3312 HG13 VAL B 114 7.005 -4.627 -0.033 1.00 0.00 H ATOM 3313 HG21 VAL B 114 7.059 -5.750 2.839 1.00 0.00 H ATOM 3314 HG22 VAL B 114 8.806 -5.506 3.086 1.00 0.00 H ATOM 3315 HG23 VAL B 114 7.840 -4.257 2.264 1.00 0.00 H ATOM 3316 H VAL B 114 10.096 -7.327 2.627 1.00 0.00 H ATOM 3317 N VAL B 115 8.512 -8.769 -0.802 1.00 56.96 N ATOM 3318 CA VAL B 115 9.125 -9.260 -2.033 1.00 58.74 C ATOM 3319 C VAL B 115 8.252 -8.974 -3.248 1.00 59.73 C ATOM 3320 O VAL B 115 7.082 -8.606 -3.111 1.00 58.61 O ATOM 3321 CB VAL B 115 9.504 -10.761 -1.955 1.00 59.25 C ATOM 3322 CG1 VAL B 115 10.642 -10.974 -0.960 1.00 60.16 C ATOM 3323 CG2 VAL B 115 8.312 -11.608 -1.601 1.00 58.18 C ATOM 3324 HA VAL B 115 10.057 -8.707 -2.152 1.00 0.00 H ATOM 3325 HB VAL B 115 9.847 -11.074 -2.941 1.00 0.00 H ATOM 3326 HG11 VAL B 115 11.514 -10.404 -1.280 1.00 0.00 H ATOM 3327 HG12 VAL B 115 10.328 -10.636 0.027 1.00 0.00 H ATOM 3328 HG13 VAL B 115 10.894 -12.034 -0.919 1.00 0.00 H ATOM 3329 HG21 VAL B 115 7.922 -11.297 -0.632 1.00 0.00 H ATOM 3330 HG22 VAL B 115 7.541 -11.483 -2.361 1.00 0.00 H ATOM 3331 HG23 VAL B 115 8.613 -12.655 -1.555 1.00 0.00 H ATOM 3332 H VAL B 115 7.522 -9.010 -0.593 1.00 0.00 H ATOM 3333 N GLY B 116 8.841 -9.143 -4.432 1.00 62.09 N ATOM 3334 CA GLY B 116 8.160 -8.901 -5.698 1.00 64.46 C ATOM 3335 C GLY B 116 7.261 -10.053 -6.098 1.00 67.08 C ATOM 3336 O GLY B 116 7.126 -11.026 -5.350 1.00 66.73 O ATOM 3337 HA3 GLY B 116 8.909 -8.754 -6.476 1.00 0.00 H ATOM 3338 HA2 GLY B 116 7.554 -8.000 -5.604 1.00 0.00 H ATOM 3339 H GLY B 116 9.831 -9.462 -4.453 1.00 0.00 H ATOM 3340 N PRO B 117 6.647 -9.959 -7.293 1.00 69.52 N ATOM 3341 CA PRO B 117 5.655 -10.947 -7.748 1.00 72.10 C ATOM 3342 C PRO B 117 6.169 -12.395 -7.737 1.00 75.62 C ATOM 3343 O PRO B 117 5.367 -13.333 -7.671 1.00 76.03 O ATOM 3344 CB PRO B 117 5.332 -10.499 -9.181 1.00 72.90 C ATOM 3345 CG PRO B 117 6.417 -9.512 -9.552 1.00 71.97 C ATOM 3346 CD PRO B 117 6.864 -8.887 -8.284 1.00 69.40 C ATOM 3347 HA PRO B 117 4.793 -10.969 -7.082 1.00 0.00 H ATOM 3348 HD3 PRO B 117 7.916 -8.606 -8.334 1.00 0.00 H ATOM 3349 HD2 PRO B 117 6.265 -8.007 -8.048 1.00 0.00 H ATOM 3350 HG3 PRO B 117 6.022 -8.754 -10.228 1.00 0.00 H ATOM 3351 HG2 PRO B 117 7.248 -10.028 -10.032 1.00 0.00 H ATOM 3352 HB2 PRO B 117 5.345 -11.352 -9.859 1.00 0.00 H ATOM 3353 HB3 PRO B 117 4.353 -10.021 -9.219 1.00 0.00 H ATOM 3354 N MET B 118 7.491 -12.563 -7.794 1.00 78.43 N ATOM 3355 CA MET B 118 8.123 -13.885 -7.775 1.00 82.41 C ATOM 3356 C MET B 118 9.359 -13.934 -6.876 1.00 83.92 C ATOM 3357 O MET B 118 10.461 -14.260 -7.327 1.00 85.44 O ATOM 3358 CB MET B 118 8.479 -14.328 -9.193 1.00 83.88 C ATOM 3359 CG MET B 118 7.279 -14.774 -10.015 1.00 85.45 C ATOM 3360 SD MET B 118 7.534 -14.501 -11.770 1.00 86.88 S ATOM 3361 CE MET B 118 7.603 -12.705 -11.794 1.00 85.90 C ATOM 3362 HA MET B 118 7.395 -14.578 -7.353 1.00 0.00 H ATOM 3363 HB2 MET B 118 8.956 -13.492 -9.705 1.00 0.00 H ATOM 3364 HB3 MET B 118 9.180 -15.160 -9.128 1.00 0.00 H ATOM 3365 HG2 MET B 118 6.402 -14.211 -9.694 1.00 0.00 H ATOM 3366 HG3 MET B 118 7.109 -15.837 -9.844 1.00 0.00 H ATOM 3367 HE1 MET B 118 6.665 -12.302 -11.413 1.00 0.00 H ATOM 3368 HE2 MET B 118 8.427 -12.366 -11.167 1.00 0.00 H ATOM 3369 HE3 MET B 118 7.758 -12.362 -12.817 1.00 0.00 H ATOM 3370 H MET B 118 8.098 -11.721 -7.854 1.00 0.00 H ATOM 3371 N GLY B 119 9.166 -13.591 -5.606 1.00 84.71 N ATOM 3372 CA GLY B 119 10.184 -13.800 -4.577 1.00 87.18 C ATOM 3373 C GLY B 119 11.436 -12.939 -4.622 1.00 88.89 C ATOM 3374 O GLY B 119 12.299 -13.068 -3.749 1.00 89.43 O ATOM 3375 HA3 GLY B 119 10.504 -14.840 -4.644 1.00 0.00 H ATOM 3376 HA2 GLY B 119 9.708 -13.629 -3.611 1.00 0.00 H ATOM 3377 H GLY B 119 8.260 -13.159 -5.335 1.00 0.00 H ATOM 3378 N GLN B 120 11.555 -12.073 -5.628 1.00 90.48 N ATOM 3379 CA GLN B 120 12.663 -11.110 -5.664 1.00 92.34 C ATOM 3380 C GLN B 120 12.494 -10.032 -4.591 1.00 91.79 C ATOM 3381 O GLN B 120 11.451 -9.378 -4.531 1.00 90.96 O ATOM 3382 CB GLN B 120 12.870 -10.484 -7.060 1.00 93.24 C ATOM 3383 CG GLN B 120 11.857 -10.881 -8.139 1.00 94.80 C ATOM 3384 CD GLN B 120 10.567 -10.083 -8.088 1.00 94.05 C ATOM 3385 OE1 GLN B 120 10.568 -8.875 -7.837 1.00 94.72 O ATOM 3386 NE2 GLN B 120 9.460 -10.753 -8.352 1.00 92.94 N ATOM 3387 HA GLN B 120 13.570 -11.673 -5.443 1.00 0.00 H ATOM 3388 HB2 GLN B 120 12.829 -9.401 -6.948 1.00 0.00 H ATOM 3389 HB3 GLN B 120 13.860 -10.774 -7.411 1.00 0.00 H ATOM 3390 HG2 GLN B 120 12.317 -10.730 -9.116 1.00 0.00 H ATOM 3391 HG3 GLN B 120 11.615 -11.936 -8.012 1.00 0.00 H ATOM 3392 HE22 GLN B 120 9.505 -11.771 -8.558 1.00 0.00 H ATOM 3393 HE21 GLN B 120 8.543 -10.262 -8.354 1.00 0.00 H ATOM 3394 H GLN B 120 10.855 -12.079 -6.397 1.00 0.00 H ATOM 3395 N PRO B 121 13.529 -9.838 -3.750 1.00 92.87 N ATOM 3396 CA PRO B 121 13.439 -8.974 -2.568 1.00 92.36 C ATOM 3397 C PRO B 121 13.335 -7.493 -2.926 1.00 92.04 C ATOM 3398 O PRO B 121 13.707 -7.092 -4.035 1.00 92.74 O ATOM 3399 CB PRO B 121 14.761 -9.240 -1.849 1.00 93.20 C ATOM 3400 CG PRO B 121 15.718 -9.489 -2.969 1.00 94.49 C ATOM 3401 CD PRO B 121 14.922 -10.256 -4.006 1.00 94.45 C ATOM 3402 HA PRO B 121 12.549 -9.188 -1.977 1.00 0.00 H ATOM 3403 HD3 PRO B 121 15.232 -9.984 -5.015 1.00 0.00 H ATOM 3404 HD2 PRO B 121 15.038 -11.331 -3.870 1.00 0.00 H ATOM 3405 HG3 PRO B 121 16.566 -10.080 -2.624 1.00 0.00 H ATOM 3406 HG2 PRO B 121 16.077 -8.547 -3.382 1.00 0.00 H ATOM 3407 HB2 PRO B 121 15.066 -8.375 -1.259 1.00 0.00 H ATOM 3408 HB3 PRO B 121 14.684 -10.112 -1.200 1.00 0.00 H ATOM 3409 N LEU B 122 12.819 -6.700 -1.989 1.00 91.25 N ATOM 3410 CA LEU B 122 12.721 -5.253 -2.150 1.00 90.86 C ATOM 3411 C LEU B 122 12.757 -4.556 -0.788 1.00 90.27 C ATOM 3412 O LEU B 122 13.823 -4.175 -0.297 1.00 90.83 O ATOM 3413 CB LEU B 122 11.446 -4.865 -2.916 1.00 90.29 C ATOM 3414 CG LEU B 122 11.402 -4.964 -4.445 1.00 91.02 C ATOM 3415 CD1 LEU B 122 10.551 -6.137 -4.869 1.00 91.21 C ATOM 3416 CD2 LEU B 122 10.850 -3.681 -5.047 1.00 91.06 C ATOM 3417 HA LEU B 122 13.580 -4.923 -2.734 1.00 0.00 H ATOM 3418 HB2 LEU B 122 10.647 -5.502 -2.537 1.00 0.00 H ATOM 3419 HB3 LEU B 122 11.232 -3.827 -2.663 1.00 0.00 H ATOM 3420 HG LEU B 122 12.419 -5.113 -4.808 1.00 0.00 H ATOM 3421 HD21 LEU B 122 9.840 -3.511 -4.674 1.00 0.00 H ATOM 3422 HD22 LEU B 122 11.489 -2.844 -4.764 1.00 0.00 H ATOM 3423 HD23 LEU B 122 10.827 -3.771 -6.133 1.00 0.00 H ATOM 3424 HD11 LEU B 122 10.974 -7.056 -4.464 1.00 0.00 H ATOM 3425 HD12 LEU B 122 9.537 -6.004 -4.491 1.00 0.00 H ATOM 3426 HD13 LEU B 122 10.529 -6.194 -5.957 1.00 0.00 H ATOM 3427 H LEU B 122 12.472 -7.129 -1.107 1.00 0.00 H TER 3428 LEU B 122 HETATM 3429 O HOH 1 -13.378 -16.362 24.128 1.00 31.10 O HETATM 3430 O HOH 2 -12.021 1.910 23.970 1.00 37.06 O HETATM 3431 O HOH 3 -15.340 -10.200 21.120 1.00 49.99 O HETATM 3432 O HOH 4 -3.946 -6.104 20.364 1.00 48.46 O HETATM 3433 O HOH 5 -8.492 -10.934 0.704 1.00 42.94 O HETATM 3434 O HOH 6 -13.033 9.968 18.660 1.00 54.29 O HETATM 3435 O HOH 7 -14.320 1.396 24.733 1.00 40.96 O HETATM 3436 O HOH 8 -5.893 -24.929 17.725 1.00 48.15 O HETATM 3437 O HOH 9 -20.377 -5.214 23.465 1.00 55.16 O HETATM 3438 O HOH 10 -17.241 -8.514 11.394 1.00 42.57 O HETATM 3439 O HOH 11 5.939 -2.922 15.893 1.00 50.86 O HETATM 3440 O HOH 12 -7.434 -13.518 1.689 1.00 52.63 O HETATM 3441 O HOH 13 -15.650 -5.474 15.652 1.00 39.46 O HETATM 3442 O HOH 14 -6.503 -17.891 9.934 1.00 39.82 O HETATM 3443 O HOH 15 -8.644 13.812 13.066 1.00 54.14 O HETATM 3444 O HOH 16 -4.036 -12.432 29.122 1.00 50.81 O HETATM 3445 O HOH 17 -6.914 -7.582 28.428 1.00 55.15 O HETATM 3446 O HOH 18 -3.570 -6.483 -9.416 1.00 60.46 O HETATM 3447 O HOH 19 -1.487 -19.908 16.098 1.00 35.30 O HETATM 3448 O HOH 20 -6.333 -6.379 -8.932 1.00 48.35 O HETATM 3449 O HOH 21 2.552 0.687 13.041 1.00 47.26 O HETATM 3450 O HOH 22 -5.314 -11.322 31.188 1.00 52.24 O HETATM 3451 O HOH 23 -2.004 -13.039 21.771 1.00 48.28 O HETATM 3452 O HOH 24 -16.696 1.272 13.114 1.00 48.05 O HETATM 3453 O HOH 25 -18.963 -4.259 27.228 1.00 49.83 O HETATM 3454 O HOH 26 -6.472 8.748 13.156 1.00 23.14 O HETATM 3455 O HOH 27 -1.898 17.994 3.621 1.00 31.81 O HETATM 3456 O HOH 28 9.070 13.655 -9.776 1.00 35.69 O HETATM 3457 O HOH 29 7.958 14.186 -2.939 1.00 33.27 O HETATM 3458 O HOH 30 7.802 11.765 3.787 1.00 32.31 O HETATM 3459 O HOH 31 13.137 2.806 -6.279 1.00 44.63 O HETATM 3460 O HOH 32 11.003 -5.465 5.916 1.00 36.67 O HETATM 3461 O HOH 33 -2.046 8.431 -8.096 1.00 44.85 O HETATM 3462 O HOH 34 12.737 16.699 4.541 1.00 34.86 O HETATM 3463 O HOH 35 -0.990 11.103 14.633 1.00 32.38 O HETATM 3464 O HOH 36 8.095 20.445 0.438 1.00 42.88 O HETATM 3465 O HOH 37 -7.955 0.804 4.294 1.00 36.27 O HETATM 3466 O HOH 38 13.481 20.164 3.245 1.00 39.13 O HETATM 3467 O HOH 39 12.704 7.921 4.474 1.00 38.99 O HETATM 3468 O HOH 40 -13.896 20.255 1.331 1.00 23.14 O HETATM 3469 O HOH 41 -11.969 7.433 12.233 1.00 41.07 O HETATM 3470 O HOH 42 7.309 -2.779 -10.874 1.00 51.59 O HETATM 3471 O HOH 43 -5.694 4.424 -5.075 1.00 38.93 O HETATM 3472 O HOH 44 12.186 8.849 -8.485 1.00 40.56 O HETATM 3473 O HOH 45 10.149 -4.206 13.001 1.00 41.92 O HETATM 3474 O HOH 46 4.747 21.209 0.640 1.00 52.12 O HETATM 3475 C ACE A 47 -5.776 3.708 8.203 1.00 0.18 C HETATM 3476 O ACE A 47 -5.992 4.673 8.933 1.00 -0.40 O HETATM 3477 CH3 ACE A 47 -5.748 2.303 8.738 1.00 0.03 C HETATM 3478 H ACE A 47 -4.968 2.219 9.495 1.00 0.05 H HETATM 3479 H ACE A 47 -6.715 2.065 9.182 1.00 0.05 H HETATM 3480 H ACE A 47 -5.541 1.609 7.923 1.00 0.05 H HETATM 3481 N ACE A 47 -5.940 3.774 6.886 1.00 -0.27 N HETATM 3482 CA ACE A 47 -6.088 4.997 6.109 1.00 0.13 C HETATM 3483 C ACE A 47 -7.141 4.759 5.032 1.00 0.20 C HETATM 3484 O ACE A 47 -6.928 3.997 4.092 1.00 -0.39 O HETATM 3485 N ACE A 47 -8.296 5.382 5.196 1.00 -0.26 N HETATM 3486 CA ACE A 47 -9.388 5.248 4.234 1.00 0.13 C HETATM 3487 C ACE A 47 -9.641 6.617 3.616 1.00 0.20 C HETATM 3488 O ACE A 47 -9.459 7.621 4.298 1.00 -0.39 O HETATM 3489 N ACE A 47 -9.716 6.581 2.272 1.00 -0.28 N HETATM 3490 CA ACE A 47 -9.988 7.822 1.552 1.00 0.07 C HETATM 3491 CB ACE A 47 -9.792 7.645 0.051 1.00 -0.03 C HETATM 3492 CG ACE A 47 -8.314 7.697 -0.338 1.00 -0.04 C HETATM 3493 CD1 ACE A 47 -7.651 8.997 0.101 1.00 -0.06 C HETATM 3494 H ACE A 47 -8.157 9.839 -0.371 1.00 0.02 H HETATM 3495 H ACE A 47 -7.721 9.091 1.185 1.00 0.02 H HETATM 3496 H ACE A 47 -6.603 8.988 -0.197 1.00 0.02 H HETATM 3497 CD2 ACE A 47 -8.139 7.516 -1.840 1.00 -0.06 C HETATM 3498 H ACE A 47 -8.546 6.550 -2.138 1.00 0.02 H HETATM 3499 H ACE A 47 -8.668 8.312 -2.365 1.00 0.02 H HETATM 3500 H ACE A 47 -7.079 7.557 -2.088 1.00 0.02 H HETATM 3501 H ACE A 47 -7.825 6.874 0.183 1.00 0.03 H HETATM 3502 H ACE A 47 -10.310 8.456 -0.460 1.00 0.03 H HETATM 3503 H ACE A 47 -10.187 6.670 -0.234 1.00 0.03 H HETATM 3504 CH ACE A 47 -11.409 8.284 1.891 1.00 0.09 C HETATM 3505 OH ACE A 47 -11.672 9.546 1.310 1.00 -0.39 O HETATM 3506 H ACE A 47 -11.045 10.190 1.649 1.00 0.21 H HETATM 3507 CM ACE A 47 -12.472 7.263 1.481 1.00 0.07 C HETATM 3508 C ACE A 47 -13.805 7.670 2.069 1.00 0.18 C HETATM 3509 O ACE A 47 -14.228 7.422 3.386 1.00 -0.40 O HETATM 3510 N ACE A 47 -14.621 7.834 1.035 1.00 -0.30 N HETATM 3511 H ACE A 47 -15.631 7.783 1.169 1.00 0.18 H HETATM 3512 H ACE A 47 -14.238 8.011 0.106 1.00 0.18 H HETATM 3513 H ACE A 47 -12.194 6.277 1.852 1.00 0.05 H HETATM 3514 H ACE A 47 -12.547 7.229 0.394 1.00 0.05 H HETATM 3515 H ACE A 47 -11.465 8.376 2.976 1.00 0.06 H HETATM 3516 H ACE A 47 -9.280 8.590 1.865 1.00 0.06 H HETATM 3517 H ACE A 47 -9.585 5.705 1.767 1.00 0.19 H HETATM 3518 CB ACE A 47 -10.656 4.752 4.948 1.00 -0.01 C HETATM 3519 CG1 ACE A 47 -11.856 4.674 3.984 1.00 -0.06 C HETATM 3520 H ACE A 47 -12.056 5.664 3.574 1.00 0.02 H HETATM 3521 H ACE A 47 -11.625 3.983 3.173 1.00 0.02 H HETATM 3522 H ACE A 47 -12.733 4.319 4.526 1.00 0.02 H HETATM 3523 CG2 ACE A 47 -10.381 3.402 5.580 1.00 -0.06 C HETATM 3524 H ACE A 47 -10.097 2.691 4.805 1.00 0.02 H HETATM 3525 H ACE A 47 -9.570 3.499 6.302 1.00 0.02 H HETATM 3526 H ACE A 47 -11.280 3.050 6.087 1.00 0.02 H HETATM 3527 H ACE A 47 -10.919 5.468 5.727 1.00 0.03 H HETATM 3528 H ACE A 47 -9.125 4.527 3.460 1.00 0.08 H HETATM 3529 H ACE A 47 -8.428 5.973 6.017 1.00 0.19 H HETATM 3530 CB ACE A 47 -4.747 5.411 5.443 1.00 -0.01 C HETATM 3531 CG1 ACE A 47 -4.950 6.579 4.485 1.00 -0.06 C HETATM 3532 H ACE A 47 -5.285 7.452 5.045 1.00 0.02 H HETATM 3533 H ACE A 47 -4.008 6.806 3.986 1.00 0.02 H HETATM 3534 H ACE A 47 -5.701 6.311 3.742 1.00 0.02 H HETATM 3535 CG2 ACE A 47 -3.700 5.755 6.496 1.00 -0.06 C HETATM 3536 H ACE A 47 -2.753 5.978 6.005 1.00 0.02 H HETATM 3537 H ACE A 47 -4.030 6.625 7.064 1.00 0.02 H HETATM 3538 H ACE A 47 -3.571 4.907 7.169 1.00 0.02 H HETATM 3539 H ACE A 47 -4.384 4.560 4.867 1.00 0.03 H HETATM 3540 H ACE A 47 -6.392 5.805 6.775 1.00 0.08 H HETATM 3541 H ACE A 47 -5.964 2.892 6.375 1.00 0.19 H CONECT 1722 1723 1730 1731 1732 CONECT 1730 1722 CONECT 1731 1722 CONECT 1732 1722 CONECT 3475 3476 3477 3481 CONECT 3476 3475 CONECT 3477 3475 3478 3479 3480 CONECT 3478 3477 CONECT 3479 3477 CONECT 3480 3477 CONECT 3481 3475 3482 3541 CONECT 3482 3481 3483 3530 3540 CONECT 3483 3482 3484 3485 CONECT 3484 3483 CONECT 3485 3483 3486 3529 CONECT 3486 3485 3487 3518 3528 CONECT 3487 3486 3488 3489 CONECT 3488 3487 CONECT 3489 3487 3490 3517 CONECT 3490 3489 3491 3504 3516 CONECT 3491 3490 3492 3502 3503 CONECT 3492 3491 3493 3497 3501 CONECT 3493 3492 3494 3495 3496 CONECT 3494 3493 CONECT 3495 3493 CONECT 3496 3493 CONECT 3497 3492 3498 3499 3500 CONECT 3498 3497 CONECT 3499 3497 CONECT 3500 3497 CONECT 3501 3492 CONECT 3502 3491 CONECT 3503 3491 CONECT 3504 3490 3505 3507 3515 CONECT 3505 3504 3506 CONECT 3506 3505 CONECT 3507 3504 3508 3513 3514 CONECT 3508 3507 3509 3510 CONECT 3509 3508 CONECT 3510 3508 3511 3512 CONECT 3511 3510 CONECT 3512 3510 CONECT 3513 3507 CONECT 3514 3507 CONECT 3515 3504 CONECT 3516 3490 CONECT 3517 3489 CONECT 3518 3486 3519 3523 3527 CONECT 3519 3518 3520 3521 3522 CONECT 3520 3519 CONECT 3521 3519 CONECT 3522 3519 CONECT 3523 3518 3524 3525 3526 CONECT 3524 3523 CONECT 3525 3523 CONECT 3526 3523 CONECT 3527 3518 CONECT 3528 3486 CONECT 3529 3485 CONECT 3530 3482 3531 3535 3539 CONECT 3531 3530 3532 3533 3534 CONECT 3532 3531 CONECT 3533 3531 CONECT 3534 3531 CONECT 3535 3530 3536 3537 3538 CONECT 3536 3535 CONECT 3537 3535 CONECT 3538 3535 CONECT 3539 3530 CONECT 3540 3482 CONECT 3541 3481 MASTER 0 0 0 0 0 0 0 0 3539 2 71 18 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
132aa, >3SLZ_1|Chains... *
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3sm2
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6-mer
4ifi
RCSB PDB
PDBbind
6-mer
4ikn
RCSB PDB
PDBbind
6-mer
4j09
RCSB PDB
PDBbind
6-mer
4j77
RCSB PDB
PDBbind
6-mer
4j79
RCSB PDB
PDBbind
6-mer
4j86
RCSB PDB
PDBbind
6-mer
4j8b
RCSB PDB
PDBbind
6-mer
4jj7
RCSB PDB
PDBbind
6-mer
4jj8
RCSB PDB
PDBbind
6-mer
4jje
RCSB PDB
PDBbind
6-mer
4jr0
RCSB PDB
PDBbind
6-mer
4k3o
RCSB PDB
PDBbind
6-mer
4k3p
RCSB PDB
PDBbind
6-mer
4k3q
RCSB PDB
PDBbind
6-mer
4k3r
RCSB PDB
PDBbind
6-mer
4ny3
RCSB PDB
PDBbind
6-mer
4o9w
RCSB PDB
PDBbind
6-mer
4ou3
RCSB PDB
PDBbind
6-mer
4tsz
RCSB PDB
PDBbind
6-mer
4tt2
RCSB PDB
PDBbind
6-mer
4wk2
RCSB PDB
PDBbind
6-mer
4wvt
RCSB PDB
PDBbind
6-mer
4x9r
RCSB PDB
PDBbind
6-mer
4x9v
RCSB PDB
PDBbind
6-mer
4ynl
RCSB PDB
PDBbind
6-mer
5a2i
RCSB PDB
PDBbind
6-mer
5a2j
RCSB PDB
PDBbind
6-mer
5a2k
RCSB PDB
PDBbind
6-mer
5e1b
RCSB PDB
PDBbind
6-mer
5e1d
RCSB PDB
PDBbind
6-mer
5e1m
RCSB PDB
PDBbind
6-mer
5e1o
RCSB PDB
PDBbind
6-mer
5epk
RCSB PDB
PDBbind
6-mer
5epl
RCSB PDB
PDBbind
6-mer
5eq0
RCSB PDB
PDBbind
6-mer
5fot
RCSB PDB
PDBbind
6-mer
5fou
RCSB PDB
PDBbind
6-mer
5fov
RCSB PDB
PDBbind
6-mer
5fow
RCSB PDB
PDBbind
6-mer
5fox
RCSB PDB
PDBbind
6-mer
5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
RCSB PDB
PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
4exh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Putative gag-pro-pol polyprotein
Ligand Name
6-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=712nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Febs J. Vol. 279: pp. 3276-3286
Ligand Properties
Formula
C
2
0
H
3
8
N
4
O
5
Molecular Weight
414.540
Exact Mass
414.284
No. of atoms
67
No. of bonds
66
Polar Surface Area
150.62
LOGP Value
0.95 (
Computed with XLOGP3
)
1.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
Canonical SMILES
CC(C[C@@H]([C@H](CC(=O)N)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C)C
InChI String
InChI=1S/C20H38N4O5/c1-10(2)8-14(15(26)9-16(21)27)23-19(28)18(12(5)6)24-20(29)17(11(3)4)22-13(7)25/h10-12,14-15,17-18,26H,8-9H2,1-7H3,(H2,21,27)(H,22,25)(H,23,28)(H,24,29)/t14-,15-,17-,18-/m0/s1
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):
Q9E7M1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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