Browse entries in the PDBbind-CN Database
HEADER 3GK4_COMPLEX COMPND 3GK4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 A 90 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 A 90 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 A 90 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 A 90 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 A 90 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 A 90 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE GLU SEQRES 1 X 90 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 X 90 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 X 90 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 X 90 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 X 90 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 X 90 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 X 90 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE GLU HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET UNN A 264 46 ATOM 1 N MET A 0 7.725 -8.140 6.860 1.00 52.20 N ATOM 2 CA MET A 0 6.481 -7.498 6.345 1.00 51.28 C ATOM 3 C MET A 0 6.496 -7.531 4.820 1.00 50.23 C ATOM 4 O MET A 0 7.415 -6.978 4.200 1.00 51.02 O ATOM 5 CB MET A 0 6.459 -6.061 6.812 1.00 52.52 C ATOM 6 CG MET A 0 5.117 -5.463 7.077 1.00 52.25 C ATOM 7 SD MET A 0 5.448 -3.710 7.265 1.00 52.21 S ATOM 8 CE MET A 0 3.802 -3.091 7.376 1.00 53.18 C ATOM 9 HA MET A 0 5.601 -8.027 6.711 1.00 0.00 H ATOM 10 HB2 MET A 0 7.034 -6.005 7.736 1.00 0.00 H ATOM 11 HB3 MET A 0 6.945 -5.457 6.046 1.00 0.00 H ATOM 12 HG2 MET A 0 4.683 -5.875 7.988 1.00 0.00 H ATOM 13 HG3 MET A 0 4.441 -5.642 6.241 1.00 0.00 H ATOM 14 HE1 MET A 0 3.258 -3.343 6.465 1.00 0.00 H ATOM 15 HE2 MET A 0 3.303 -3.541 8.234 1.00 0.00 H ATOM 16 HE3 MET A 0 3.830 -2.008 7.497 1.00 0.00 H ATOM 17 HN3 MET A 0 8.554 -7.620 6.507 1.00 0.00 H ATOM 18 HN2 MET A 0 7.766 -9.126 6.531 1.00 0.00 H ATOM 19 HN1 MET A 0 7.719 -8.120 7.900 1.00 0.00 H ATOM 20 N SER A 1 5.475 -8.163 4.228 1.00 48.04 N ATOM 21 CA SER A 1 5.312 -8.278 2.784 1.00 45.59 C ATOM 22 C SER A 1 4.937 -6.921 2.181 1.00 45.36 C ATOM 23 O SER A 1 4.575 -5.990 2.905 1.00 43.87 O ATOM 24 CB SER A 1 4.183 -9.264 2.492 1.00 45.46 C ATOM 25 OG SER A 1 2.899 -8.699 2.816 1.00 45.78 O ATOM 26 HA SER A 1 6.250 -8.621 2.348 1.00 0.00 H ATOM 27 HB2 SER A 1 4.335 -10.165 3.086 1.00 0.00 H ATOM 28 HB3 SER A 1 4.201 -9.522 1.433 1.00 0.00 H ATOM 29 HG SER A 1 2.189 -9.360 2.617 1.00 0.00 H ATOM 30 H SER A 1 4.753 -8.599 4.836 1.00 0.00 H ATOM 31 N GLU A 2 4.990 -6.817 0.856 1.00 44.91 N ATOM 32 CA GLU A 2 4.485 -5.628 0.148 1.00 45.54 C ATOM 33 C GLU A 2 3.047 -5.229 0.468 1.00 45.18 C ATOM 34 O GLU A 2 2.777 -4.041 0.597 1.00 45.28 O ATOM 35 CB GLU A 2 4.637 -5.789 -1.373 1.00 45.77 C ATOM 36 CG GLU A 2 6.072 -6.010 -1.845 1.00 48.17 C ATOM 37 CD GLU A 2 6.978 -4.806 -1.613 1.00 52.06 C ATOM 38 OE1 GLU A 2 6.530 -3.657 -1.813 1.00 53.57 O ATOM 39 OE2 GLU A 2 8.157 -5.010 -1.242 1.00 55.27 O ATOM 40 HA GLU A 2 5.109 -4.816 0.521 1.00 0.00 H ATOM 41 HB2 GLU A 2 4.039 -6.645 -1.687 1.00 0.00 H ATOM 42 HB3 GLU A 2 4.256 -4.887 -1.851 1.00 0.00 H ATOM 43 HG2 GLU A 2 6.486 -6.863 -1.307 1.00 0.00 H ATOM 44 HG3 GLU A 2 6.055 -6.229 -2.913 1.00 0.00 H ATOM 45 H GLU A 2 5.400 -7.597 0.304 1.00 0.00 H ATOM 46 N LEU A 3 2.121 -6.196 0.586 1.00 45.43 N ATOM 47 CA LEU A 3 0.733 -5.905 0.930 1.00 46.27 C ATOM 48 C LEU A 3 0.665 -5.325 2.338 1.00 46.77 C ATOM 49 O LEU A 3 -0.086 -4.362 2.615 1.00 47.20 O ATOM 50 CB LEU A 3 -0.136 -7.173 0.924 1.00 45.62 C ATOM 51 CG LEU A 3 -1.639 -7.145 0.569 1.00 47.57 C ATOM 52 CD1 LEU A 3 -2.380 -8.381 1.075 1.00 45.23 C ATOM 53 CD2 LEU A 3 -2.440 -5.859 0.785 1.00 46.43 C ATOM 54 HA LEU A 3 0.361 -5.203 0.184 1.00 0.00 H ATOM 55 HB2 LEU A 3 0.330 -7.857 0.215 1.00 0.00 H ATOM 56 HB3 LEU A 3 -0.069 -7.591 1.928 1.00 0.00 H ATOM 57 HG LEU A 3 -1.584 -7.165 -0.519 1.00 0.00 H ATOM 58 HD21 LEU A 3 -2.407 -5.585 1.839 1.00 0.00 H ATOM 59 HD22 LEU A 3 -2.007 -5.058 0.186 1.00 0.00 H ATOM 60 HD23 LEU A 3 -3.475 -6.022 0.483 1.00 0.00 H ATOM 61 HD11 LEU A 3 -1.944 -9.274 0.626 1.00 0.00 H ATOM 62 HD12 LEU A 3 -2.291 -8.438 2.160 1.00 0.00 H ATOM 63 HD13 LEU A 3 -3.432 -8.311 0.799 1.00 0.00 H ATOM 64 H LEU A 3 2.403 -7.184 0.427 1.00 0.00 H ATOM 65 N GLU A 4 1.410 -5.926 3.251 1.00 47.01 N ATOM 66 CA GLU A 4 1.395 -5.422 4.622 1.00 46.60 C ATOM 67 C GLU A 4 1.941 -4.003 4.685 1.00 45.79 C ATOM 68 O GLU A 4 1.366 -3.128 5.331 1.00 45.79 O ATOM 69 CB GLU A 4 2.081 -6.375 5.599 1.00 46.81 C ATOM 70 CG GLU A 4 1.222 -7.632 5.864 1.00 45.95 C ATOM 71 CD GLU A 4 2.005 -8.781 6.468 1.00 46.33 C ATOM 72 OE1 GLU A 4 3.201 -8.906 6.166 1.00 48.00 O ATOM 73 OE2 GLU A 4 1.424 -9.576 7.228 1.00 42.76 O ATOM 74 HA GLU A 4 0.356 -5.376 4.949 1.00 0.00 H ATOM 75 HB2 GLU A 4 3.039 -6.683 5.180 1.00 0.00 H ATOM 76 HB3 GLU A 4 2.248 -5.855 6.542 1.00 0.00 H ATOM 77 HG2 GLU A 4 0.418 -7.363 6.550 1.00 0.00 H ATOM 78 HG3 GLU A 4 0.795 -7.964 4.918 1.00 0.00 H ATOM 79 H GLU A 4 1.998 -6.745 2.996 1.00 0.00 H ATOM 80 N LYS A 5 3.015 -3.750 3.956 1.00 45.47 N ATOM 81 CA LYS A 5 3.509 -2.392 3.834 1.00 44.23 C ATOM 82 C LYS A 5 2.445 -1.447 3.319 1.00 44.43 C ATOM 83 O LYS A 5 2.377 -0.271 3.751 1.00 44.13 O ATOM 84 CB LYS A 5 4.746 -2.371 2.946 1.00 45.00 C ATOM 85 CG LYS A 5 5.961 -2.941 3.673 1.00 44.05 C ATOM 86 CD LYS A 5 7.253 -2.649 2.953 1.00 45.27 C ATOM 87 CE LYS A 5 7.496 -3.630 1.819 1.00 48.29 C ATOM 88 NZ LYS A 5 8.944 -3.838 1.538 1.00 49.60 N ATOM 89 HA LYS A 5 3.783 -2.039 4.828 1.00 0.00 H ATOM 90 HB2 LYS A 5 4.553 -2.968 2.054 1.00 0.00 H ATOM 91 HB3 LYS A 5 4.957 -1.342 2.655 1.00 0.00 H ATOM 92 HG2 LYS A 5 6.009 -2.503 4.670 1.00 0.00 H ATOM 93 HG3 LYS A 5 5.844 -4.021 3.757 1.00 0.00 H ATOM 94 HD2 LYS A 5 7.210 -1.639 2.544 1.00 0.00 H ATOM 95 HD3 LYS A 5 8.077 -2.718 3.663 1.00 0.00 H ATOM 96 HE2 LYS A 5 7.017 -3.247 0.918 1.00 0.00 H ATOM 97 HE3 LYS A 5 7.051 -4.589 2.086 1.00 0.00 H ATOM 98 HZ1 LYS A 5 9.378 -2.931 1.273 1.00 0.00 H ATOM 99 HZ2 LYS A 5 9.411 -4.212 2.389 1.00 0.00 H ATOM 100 HZ3 LYS A 5 9.050 -4.516 0.756 1.00 0.00 H ATOM 101 H LYS A 5 3.506 -4.527 3.469 1.00 0.00 H ATOM 102 N ALA A 6 1.642 -1.928 2.364 1.00 43.02 N ATOM 103 CA ALA A 6 0.632 -1.071 1.719 1.00 42.94 C ATOM 104 C ALA A 6 -0.431 -0.739 2.763 1.00 42.81 C ATOM 105 O ALA A 6 -0.820 0.410 2.883 1.00 44.59 O ATOM 106 CB ALA A 6 0.030 -1.763 0.520 1.00 42.24 C ATOM 107 HA ALA A 6 1.090 -0.152 1.353 1.00 0.00 H ATOM 108 HB1 ALA A 6 0.816 -1.986 -0.202 1.00 0.00 H ATOM 109 HB2 ALA A 6 -0.446 -2.690 0.838 1.00 0.00 H ATOM 110 HB3 ALA A 6 -0.713 -1.111 0.061 1.00 0.00 H ATOM 111 H ALA A 6 1.732 -2.922 2.072 1.00 0.00 H ATOM 112 N VAL A 7 -0.869 -1.732 3.537 1.00 43.64 N ATOM 113 CA VAL A 7 -1.804 -1.506 4.660 1.00 43.24 C ATOM 114 C VAL A 7 -1.285 -0.432 5.639 1.00 44.51 C ATOM 115 O VAL A 7 -2.005 0.509 5.982 1.00 44.13 O ATOM 116 CB VAL A 7 -2.131 -2.797 5.404 1.00 42.46 C ATOM 117 CG1 VAL A 7 -2.899 -2.487 6.658 1.00 43.26 C ATOM 118 CG2 VAL A 7 -2.917 -3.767 4.506 1.00 41.62 C ATOM 119 HA VAL A 7 -2.728 -1.135 4.216 1.00 0.00 H ATOM 120 HB VAL A 7 -1.196 -3.285 5.679 1.00 0.00 H ATOM 121 HG11 VAL A 7 -2.298 -1.844 7.301 1.00 0.00 H ATOM 122 HG12 VAL A 7 -3.827 -1.977 6.398 1.00 0.00 H ATOM 123 HG13 VAL A 7 -3.127 -3.415 7.182 1.00 0.00 H ATOM 124 HG21 VAL A 7 -3.850 -3.297 4.194 1.00 0.00 H ATOM 125 HG22 VAL A 7 -2.320 -4.011 3.627 1.00 0.00 H ATOM 126 HG23 VAL A 7 -3.136 -4.678 5.062 1.00 0.00 H ATOM 127 H VAL A 7 -0.541 -2.700 3.344 1.00 0.00 H ATOM 128 N VAL A 8 -0.035 -0.573 6.073 1.00 43.66 N ATOM 129 CA VAL A 8 0.594 0.407 6.975 1.00 43.78 C ATOM 130 C VAL A 8 0.698 1.804 6.402 1.00 44.06 C ATOM 131 O VAL A 8 0.438 2.785 7.107 1.00 44.96 O ATOM 132 CB VAL A 8 1.961 -0.113 7.467 1.00 43.55 C ATOM 133 CG1 VAL A 8 2.752 0.966 8.157 1.00 43.70 C ATOM 134 CG2 VAL A 8 1.726 -1.323 8.406 1.00 42.37 C ATOM 135 HA VAL A 8 -0.076 0.508 7.829 1.00 0.00 H ATOM 136 HB VAL A 8 2.552 -0.428 6.607 1.00 0.00 H ATOM 137 HG11 VAL A 8 2.927 1.787 7.462 1.00 0.00 H ATOM 138 HG12 VAL A 8 2.193 1.330 9.019 1.00 0.00 H ATOM 139 HG13 VAL A 8 3.707 0.559 8.488 1.00 0.00 H ATOM 140 HG21 VAL A 8 1.121 -1.009 9.257 1.00 0.00 H ATOM 141 HG22 VAL A 8 1.206 -2.110 7.860 1.00 0.00 H ATOM 142 HG23 VAL A 8 2.686 -1.699 8.760 1.00 0.00 H ATOM 143 H VAL A 8 0.515 -1.401 5.766 1.00 0.00 H ATOM 144 N ALA A 9 1.073 1.894 5.132 1.00 43.30 N ATOM 145 CA ALA A 9 1.159 3.164 4.433 1.00 44.03 C ATOM 146 C ALA A 9 -0.205 3.865 4.396 1.00 44.53 C ATOM 147 O ALA A 9 -0.276 5.080 4.609 1.00 42.85 O ATOM 148 CB ALA A 9 1.720 2.969 3.020 1.00 42.89 C ATOM 149 HA ALA A 9 1.847 3.807 4.982 1.00 0.00 H ATOM 150 HB1 ALA A 9 2.717 2.533 3.083 1.00 0.00 H ATOM 151 HB2 ALA A 9 1.065 2.302 2.459 1.00 0.00 H ATOM 152 HB3 ALA A 9 1.775 3.934 2.516 1.00 0.00 H ATOM 153 H ALA A 9 1.314 1.023 4.618 1.00 0.00 H ATOM 154 N LEU A 10 -1.276 3.100 4.162 1.00 43.89 N ATOM 155 CA LEU A 10 -2.624 3.687 4.098 1.00 44.37 C ATOM 156 C LEU A 10 -2.995 4.360 5.401 1.00 44.69 C ATOM 157 O LEU A 10 -3.408 5.520 5.416 1.00 45.42 O ATOM 158 CB LEU A 10 -3.674 2.613 3.724 1.00 44.85 C ATOM 159 CG LEU A 10 -3.532 2.094 2.297 1.00 42.66 C ATOM 160 CD1 LEU A 10 -4.478 0.900 2.024 1.00 46.49 C ATOM 161 CD2 LEU A 10 -3.720 3.193 1.262 1.00 40.56 C ATOM 162 HA LEU A 10 -2.615 4.449 3.318 1.00 0.00 H ATOM 163 HB2 LEU A 10 -3.567 1.772 4.409 1.00 0.00 H ATOM 164 HB3 LEU A 10 -4.667 3.048 3.836 1.00 0.00 H ATOM 165 HG LEU A 10 -2.508 1.734 2.199 1.00 0.00 H ATOM 166 HD21 LEU A 10 -4.716 3.624 1.368 1.00 0.00 H ATOM 167 HD22 LEU A 10 -2.969 3.968 1.416 1.00 0.00 H ATOM 168 HD23 LEU A 10 -3.609 2.772 0.263 1.00 0.00 H ATOM 169 HD11 LEU A 10 -4.242 0.087 2.710 1.00 0.00 H ATOM 170 HD12 LEU A 10 -5.511 1.215 2.174 1.00 0.00 H ATOM 171 HD13 LEU A 10 -4.345 0.561 0.997 1.00 0.00 H ATOM 172 H LEU A 10 -1.155 2.076 4.023 1.00 0.00 H ATOM 173 N ILE A 11 -2.812 3.638 6.507 1.00 44.43 N ATOM 174 CA ILE A 11 -3.034 4.180 7.847 1.00 43.58 C ATOM 175 C ILE A 11 -2.128 5.385 8.113 1.00 43.86 C ATOM 176 O ILE A 11 -2.588 6.415 8.613 1.00 42.60 O ATOM 177 CB ILE A 11 -2.840 3.070 8.915 1.00 43.71 C ATOM 178 CG1 ILE A 11 -3.835 1.931 8.646 1.00 44.56 C ATOM 179 CG2 ILE A 11 -2.996 3.624 10.354 1.00 43.85 C ATOM 180 CD1 ILE A 11 -3.622 0.609 9.466 1.00 44.66 C ATOM 181 HA ILE A 11 -4.063 4.534 7.912 1.00 0.00 H ATOM 182 HB ILE A 11 -1.823 2.685 8.839 1.00 0.00 H ATOM 183 HG12 ILE A 11 -4.834 2.303 8.871 1.00 0.00 H ATOM 184 HG13 ILE A 11 -3.772 1.679 7.587 1.00 0.00 H ATOM 185 HD11 ILE A 11 -2.635 0.202 9.247 1.00 0.00 H ATOM 186 HD12 ILE A 11 -3.698 0.827 10.531 1.00 0.00 H ATOM 187 HD13 ILE A 11 -4.386 -0.117 9.187 1.00 0.00 H ATOM 188 HG21 ILE A 11 -2.250 4.400 10.526 1.00 0.00 H ATOM 189 HG22 ILE A 11 -3.994 4.045 10.474 1.00 0.00 H ATOM 190 HG23 ILE A 11 -2.853 2.815 11.071 1.00 0.00 H ATOM 191 H ILE A 11 -2.499 2.651 6.413 1.00 0.00 H ATOM 192 N ASP A 12 -0.862 5.268 7.712 1.00 43.45 N ATOM 193 CA ASP A 12 0.168 6.269 8.033 1.00 44.54 C ATOM 194 C ASP A 12 -0.135 7.568 7.304 1.00 43.66 C ATOM 195 O ASP A 12 -0.103 8.641 7.899 1.00 43.28 O ATOM 196 CB ASP A 12 1.480 5.800 7.471 1.00 44.93 C ATOM 197 CG ASP A 12 2.545 5.811 8.445 1.00 48.78 C ATOM 198 OD1 ASP A 12 3.012 6.924 8.852 1.00 49.54 O ATOM 199 OD2 ASP A 12 2.928 4.665 8.784 1.00 49.87 O ATOM 200 HA ASP A 12 0.194 6.408 9.114 1.00 0.00 H ATOM 201 HB2 ASP A 12 1.356 4.782 7.102 1.00 0.00 H ATOM 202 HB3 ASP A 12 1.758 6.454 6.644 1.00 0.00 H ATOM 203 H ASP A 12 -0.591 4.436 7.150 1.00 0.00 H ATOM 204 N VAL A 13 -0.397 7.467 6.003 1.00 43.46 N ATOM 205 CA VAL A 13 -0.651 8.698 5.232 1.00 43.86 C ATOM 206 C VAL A 13 -1.910 9.381 5.743 1.00 44.14 C ATOM 207 O VAL A 13 -1.924 10.588 5.888 1.00 44.38 O ATOM 208 CB VAL A 13 -0.629 8.545 3.682 1.00 43.99 C ATOM 209 CG1 VAL A 13 -1.869 7.797 3.138 1.00 46.52 C ATOM 210 CG2 VAL A 13 -0.573 9.907 2.996 1.00 41.52 C ATOM 211 HA VAL A 13 0.207 9.345 5.414 1.00 0.00 H ATOM 212 HB VAL A 13 0.265 7.963 3.459 1.00 0.00 H ATOM 213 HG11 VAL A 13 -1.908 6.798 3.572 1.00 0.00 H ATOM 214 HG12 VAL A 13 -2.771 8.347 3.407 1.00 0.00 H ATOM 215 HG13 VAL A 13 -1.799 7.721 2.053 1.00 0.00 H ATOM 216 HG21 VAL A 13 -1.450 10.490 3.277 1.00 0.00 H ATOM 217 HG22 VAL A 13 0.330 10.433 3.308 1.00 0.00 H ATOM 218 HG23 VAL A 13 -0.559 9.768 1.915 1.00 0.00 H ATOM 219 H VAL A 13 -0.422 6.537 5.539 1.00 0.00 H ATOM 220 N PHE A 14 -2.959 8.625 6.016 1.00 44.02 N ATOM 221 CA PHE A 14 -4.211 9.256 6.427 1.00 44.41 C ATOM 222 C PHE A 14 -4.020 10.065 7.720 1.00 45.42 C ATOM 223 O PHE A 14 -4.592 11.133 7.894 1.00 45.41 O ATOM 224 CB PHE A 14 -5.328 8.224 6.618 1.00 44.38 C ATOM 225 CG PHE A 14 -6.619 8.840 7.098 1.00 42.02 C ATOM 226 CD1 PHE A 14 -7.516 9.411 6.187 1.00 41.97 C ATOM 227 CD2 PHE A 14 -6.901 8.920 8.450 1.00 43.85 C ATOM 228 CE1 PHE A 14 -8.707 10.005 6.621 1.00 42.12 C ATOM 229 CE2 PHE A 14 -8.085 9.541 8.895 1.00 42.75 C ATOM 230 CZ PHE A 14 -8.982 10.077 7.971 1.00 42.54 C ATOM 231 HA PHE A 14 -4.506 9.934 5.626 1.00 0.00 H ATOM 232 HB2 PHE A 14 -5.512 7.729 5.664 1.00 0.00 H ATOM 233 HB3 PHE A 14 -5.000 7.487 7.351 1.00 0.00 H ATOM 234 HD2 PHE A 14 -6.204 8.500 9.175 1.00 0.00 H ATOM 235 HE2 PHE A 14 -8.300 9.603 9.962 1.00 0.00 H ATOM 236 HZ PHE A 14 -9.900 10.553 8.316 1.00 0.00 H ATOM 237 HE1 PHE A 14 -9.414 10.409 5.896 1.00 0.00 H ATOM 238 HD1 PHE A 14 -7.283 9.393 5.122 1.00 0.00 H ATOM 239 H PHE A 14 -2.894 7.590 5.939 1.00 0.00 H ATOM 240 N HIS A 15 -3.232 9.516 8.633 1.00 45.98 N ATOM 241 CA HIS A 15 -3.040 10.139 9.903 1.00 46.20 C ATOM 242 C HIS A 15 -2.128 11.334 9.827 1.00 45.93 C ATOM 243 O HIS A 15 -2.374 12.337 10.478 1.00 45.40 O ATOM 244 CB HIS A 15 -2.611 9.110 10.915 1.00 46.96 C ATOM 245 CG HIS A 15 -3.762 8.626 11.728 1.00 49.71 C ATOM 246 ND1 HIS A 15 -4.389 7.422 11.496 1.00 53.19 N ATOM 247 CD2 HIS A 15 -4.477 9.247 12.693 1.00 51.34 C ATOM 248 CE1 HIS A 15 -5.408 7.301 12.326 1.00 52.60 C ATOM 249 NE2 HIS A 15 -5.486 8.397 13.058 1.00 52.95 N ATOM 250 HA HIS A 15 -3.992 10.549 10.240 1.00 0.00 H ATOM 251 HB2 HIS A 15 -2.166 8.263 10.392 1.00 0.00 H ATOM 252 HB3 HIS A 15 -1.870 9.555 11.580 1.00 0.00 H ATOM 253 HD2 HIS A 15 -4.286 10.239 13.103 1.00 0.00 H ATOM 254 HE1 HIS A 15 -6.074 6.441 12.395 1.00 0.00 H ATOM 255 H HIS A 15 -2.748 8.620 8.422 1.00 0.00 H ATOM 256 N GLN A 16 -1.114 11.246 8.981 1.00 45.57 N ATOM 257 CA GLN A 16 -0.226 12.367 8.768 1.00 45.83 C ATOM 258 C GLN A 16 -1.063 13.565 8.400 1.00 45.31 C ATOM 259 O GLN A 16 -0.930 14.619 8.976 1.00 44.93 O ATOM 260 CB GLN A 16 0.749 12.063 7.636 1.00 45.59 C ATOM 261 CG GLN A 16 1.877 11.148 8.043 1.00 51.38 C ATOM 262 CD GLN A 16 2.796 10.789 6.885 1.00 57.54 C ATOM 263 OE1 GLN A 16 2.640 11.295 5.757 1.00 58.83 O ATOM 264 NE2 GLN A 16 3.777 9.923 7.163 1.00 58.23 N ATOM 265 HA GLN A 16 0.347 12.561 9.675 1.00 0.00 H ATOM 266 HB2 GLN A 16 0.198 11.591 6.823 1.00 0.00 H ATOM 267 HB3 GLN A 16 1.176 13.003 7.286 1.00 0.00 H ATOM 268 HG2 GLN A 16 2.466 11.644 8.814 1.00 0.00 H ATOM 269 HG3 GLN A 16 1.451 10.230 8.447 1.00 0.00 H ATOM 270 HE22 GLN A 16 3.866 9.528 8.121 1.00 0.00 H ATOM 271 HE21 GLN A 16 4.451 9.645 6.421 1.00 0.00 H ATOM 272 H GLN A 16 -0.954 10.359 8.463 1.00 0.00 H ATOM 273 N TYR A 17 -1.964 13.379 7.444 1.00 45.05 N ATOM 274 CA TYR A 17 -2.712 14.514 6.936 1.00 44.58 C ATOM 275 C TYR A 17 -3.884 14.895 7.843 1.00 44.54 C ATOM 276 O TYR A 17 -4.085 16.074 8.085 1.00 44.66 O ATOM 277 CB TYR A 17 -3.089 14.292 5.459 1.00 44.45 C ATOM 278 CG TYR A 17 -1.868 14.488 4.536 1.00 45.46 C ATOM 279 CD1 TYR A 17 -0.968 13.449 4.294 1.00 42.01 C ATOM 280 CD2 TYR A 17 -1.610 15.740 3.950 1.00 44.25 C ATOM 281 CE1 TYR A 17 0.195 13.650 3.479 1.00 45.47 C ATOM 282 CE2 TYR A 17 -0.512 15.951 3.158 1.00 45.58 C ATOM 283 CZ TYR A 17 0.393 14.908 2.907 1.00 46.92 C ATOM 284 OH TYR A 17 1.503 15.201 2.116 1.00 44.95 O ATOM 285 HA TYR A 17 -2.069 15.394 6.957 1.00 0.00 H ATOM 286 HB3 TYR A 17 -3.865 15.004 5.179 1.00 0.00 H ATOM 287 HB2 TYR A 17 -3.468 13.277 5.337 1.00 0.00 H ATOM 288 HD2 TYR A 17 -2.301 16.563 4.130 1.00 0.00 H ATOM 289 HE2 TYR A 17 -0.340 16.934 2.720 1.00 0.00 H ATOM 290 HE1 TYR A 17 0.906 12.841 3.311 1.00 0.00 H ATOM 291 HD1 TYR A 17 -1.152 12.468 4.732 1.00 0.00 H ATOM 292 HH TYR A 17 2.059 14.388 2.015 1.00 0.00 H ATOM 293 H TYR A 17 -2.133 12.427 7.062 1.00 0.00 H ATOM 294 N SER A 18 -4.602 13.915 8.408 1.00 44.73 N ATOM 295 CA SER A 18 -5.823 14.215 9.160 1.00 43.55 C ATOM 296 C SER A 18 -5.550 14.912 10.491 1.00 44.25 C ATOM 297 O SER A 18 -6.379 15.725 10.994 1.00 43.97 O ATOM 298 CB SER A 18 -6.662 12.948 9.372 1.00 43.71 C ATOM 299 OG SER A 18 -5.983 12.031 10.207 1.00 44.24 O ATOM 300 HA SER A 18 -6.393 14.918 8.552 1.00 0.00 H ATOM 301 HB2 SER A 18 -6.853 12.479 8.407 1.00 0.00 H ATOM 302 HB3 SER A 18 -7.610 13.220 9.836 1.00 0.00 H ATOM 303 HG SER A 18 -5.123 11.779 9.787 1.00 0.00 H ATOM 304 H SER A 18 -4.288 12.928 8.311 1.00 0.00 H ATOM 305 N GLY A 19 -4.405 14.583 11.076 1.00 43.20 N ATOM 306 CA GLY A 19 -4.017 15.173 12.347 1.00 43.85 C ATOM 307 C GLY A 19 -3.420 16.578 12.248 1.00 44.31 C ATOM 308 O GLY A 19 -2.994 17.132 13.259 1.00 43.44 O ATOM 309 HA3 GLY A 19 -3.276 14.522 12.811 1.00 0.00 H ATOM 310 HA2 GLY A 19 -4.902 15.224 12.981 1.00 0.00 H ATOM 311 H GLY A 19 -3.776 13.893 10.618 1.00 0.00 H ATOM 312 N ARG A 20 -3.368 17.161 11.053 1.00 44.12 N ATOM 313 CA ARG A 20 -2.915 18.559 10.952 1.00 44.75 C ATOM 314 C ARG A 20 -3.835 19.537 11.691 1.00 44.70 C ATOM 315 O ARG A 20 -3.373 20.312 12.536 1.00 44.25 O ATOM 316 CB ARG A 20 -2.747 18.979 9.484 1.00 45.30 C ATOM 317 CG ARG A 20 -1.598 18.259 8.799 1.00 46.52 C ATOM 318 CD ARG A 20 -1.522 18.580 7.331 1.00 45.11 C ATOM 319 NE ARG A 20 -0.300 18.024 6.753 1.00 47.34 N ATOM 320 CZ ARG A 20 0.211 18.415 5.588 1.00 46.34 C ATOM 321 NH1 ARG A 20 -0.407 19.339 4.865 1.00 43.72 N ATOM 322 NH2 ARG A 20 1.343 17.899 5.158 1.00 45.22 N ATOM 323 HA ARG A 20 -1.944 18.605 11.445 1.00 0.00 H ATOM 324 HB2 ARG A 20 -3.669 18.754 8.948 1.00 0.00 H ATOM 325 HB3 ARG A 20 -2.559 20.052 9.447 1.00 0.00 H ATOM 326 HG2 ARG A 20 -0.663 18.558 9.273 1.00 0.00 H ATOM 327 HG3 ARG A 20 -1.736 17.184 8.917 1.00 0.00 H ATOM 328 HD2 ARG A 20 -1.523 19.662 7.199 1.00 0.00 H ATOM 329 HD3 ARG A 20 -2.387 18.152 6.824 1.00 0.00 H ATOM 330 HE ARG A 20 0.199 17.280 7.282 1.00 0.00 H ATOM 331 HH12 ARG A 20 -0.005 19.642 3.955 1.00 0.00 H ATOM 332 HH11 ARG A 20 -1.294 19.760 5.208 1.00 0.00 H ATOM 333 HH22 ARG A 20 1.741 18.205 4.247 1.00 0.00 H ATOM 334 HH21 ARG A 20 1.839 17.185 5.729 1.00 0.00 H ATOM 335 H ARG A 20 -3.644 16.635 10.199 1.00 0.00 H ATOM 336 N GLU A 21 -5.129 19.511 11.386 1.00 44.89 N ATOM 337 CA GLU A 21 -6.034 20.579 11.837 1.00 46.28 C ATOM 338 C GLU A 21 -7.394 20.058 12.231 1.00 46.22 C ATOM 339 O GLU A 21 -7.825 18.980 11.771 1.00 45.21 O ATOM 340 CB GLU A 21 -6.245 21.599 10.712 1.00 47.08 C ATOM 341 CG GLU A 21 -5.044 22.431 10.365 1.00 51.33 C ATOM 342 CD GLU A 21 -5.292 23.297 9.163 1.00 55.99 C ATOM 343 OE1 GLU A 21 -6.275 24.064 9.162 1.00 58.44 O ATOM 344 OE2 GLU A 21 -4.510 23.198 8.208 1.00 59.25 O ATOM 345 HA GLU A 21 -5.561 21.033 12.708 1.00 0.00 H ATOM 346 HB2 GLU A 21 -6.548 21.056 9.817 1.00 0.00 H ATOM 347 HB3 GLU A 21 -7.046 22.274 11.015 1.00 0.00 H ATOM 348 HG2 GLU A 21 -4.799 23.068 11.215 1.00 0.00 H ATOM 349 HG3 GLU A 21 -4.204 21.768 10.155 1.00 0.00 H ATOM 350 H GLU A 21 -5.507 18.724 10.820 1.00 0.00 H ATOM 351 N GLY A 22 -8.096 20.844 13.046 1.00 45.59 N ATOM 352 CA GLY A 22 -9.449 20.515 13.462 1.00 46.11 C ATOM 353 C GLY A 22 -9.523 19.081 13.938 1.00 46.41 C ATOM 354 O GLY A 22 -8.619 18.619 14.642 1.00 45.63 O ATOM 355 HA3 GLY A 22 -10.126 20.649 12.619 1.00 0.00 H ATOM 356 HA2 GLY A 22 -9.746 21.179 14.274 1.00 0.00 H ATOM 357 H GLY A 22 -7.662 21.722 13.396 1.00 0.00 H ATOM 358 N ASP A 23 -10.579 18.371 13.522 1.00 47.12 N ATOM 359 CA ASP A 23 -10.750 16.969 13.873 1.00 47.73 C ATOM 360 C ASP A 23 -9.556 16.198 13.364 1.00 48.05 C ATOM 361 O ASP A 23 -9.256 16.212 12.167 1.00 48.05 O ATOM 362 CB ASP A 23 -12.026 16.371 13.279 1.00 47.84 C ATOM 363 CG ASP A 23 -12.339 14.984 13.849 1.00 49.71 C ATOM 364 OD1 ASP A 23 -11.393 14.195 14.103 1.00 50.97 O ATOM 365 OD2 ASP A 23 -13.533 14.680 14.055 1.00 51.65 O ATOM 366 HA ASP A 23 -10.833 16.900 14.958 1.00 0.00 H ATOM 367 HB2 ASP A 23 -12.861 17.037 13.499 1.00 0.00 H ATOM 368 HB3 ASP A 23 -11.904 16.287 12.199 1.00 0.00 H ATOM 369 H ASP A 23 -11.298 18.835 12.931 1.00 0.00 H ATOM 370 N LYS A 24 -8.888 15.504 14.277 1.00 48.10 N ATOM 371 CA LYS A 24 -7.615 14.894 13.952 1.00 48.39 C ATOM 372 C LYS A 24 -7.730 13.464 13.490 1.00 48.21 C ATOM 373 O LYS A 24 -6.718 12.801 13.247 1.00 48.09 O ATOM 374 CB LYS A 24 -6.649 15.054 15.120 1.00 49.08 C ATOM 375 CG LYS A 24 -6.644 16.487 15.607 1.00 49.98 C ATOM 376 CD LYS A 24 -5.263 17.070 15.651 1.00 53.12 C ATOM 377 CE LYS A 24 -4.525 16.650 16.903 1.00 52.43 C ATOM 378 NZ LYS A 24 -3.090 16.922 16.674 1.00 54.62 N ATOM 379 HA LYS A 24 -7.211 15.426 13.091 1.00 0.00 H ATOM 380 HB2 LYS A 24 -6.958 14.399 15.934 1.00 0.00 H ATOM 381 HB3 LYS A 24 -5.645 14.781 14.796 1.00 0.00 H ATOM 382 HG2 LYS A 24 -7.257 17.088 14.935 1.00 0.00 H ATOM 383 HG3 LYS A 24 -7.070 16.518 16.610 1.00 0.00 H ATOM 384 HD2 LYS A 24 -4.706 16.728 14.779 1.00 0.00 H ATOM 385 HD3 LYS A 24 -5.336 18.157 15.630 1.00 0.00 H ATOM 386 HE2 LYS A 24 -4.679 15.587 17.090 1.00 0.00 H ATOM 387 HE3 LYS A 24 -4.883 17.223 17.758 1.00 0.00 H ATOM 388 HZ1 LYS A 24 -2.761 16.375 15.853 1.00 0.00 H ATOM 389 HZ2 LYS A 24 -2.956 17.937 16.492 1.00 0.00 H ATOM 390 HZ3 LYS A 24 -2.547 16.645 17.517 1.00 0.00 H ATOM 391 H LYS A 24 -9.282 15.397 15.234 1.00 0.00 H ATOM 392 N HIS A 25 -8.968 13.012 13.324 1.00 48.12 N ATOM 393 CA HIS A 25 -9.254 11.730 12.685 1.00 48.17 C ATOM 394 C HIS A 25 -10.031 11.933 11.394 1.00 47.48 C ATOM 395 O HIS A 25 -10.565 10.984 10.847 1.00 48.55 O ATOM 396 CB HIS A 25 -10.080 10.829 13.600 1.00 48.67 C ATOM 397 CG HIS A 25 -9.351 10.362 14.820 1.00 52.02 C ATOM 398 ND1 HIS A 25 -8.267 9.506 14.763 1.00 55.09 N ATOM 399 CD2 HIS A 25 -9.568 10.609 16.134 1.00 51.93 C ATOM 400 CE1 HIS A 25 -7.840 9.264 15.990 1.00 53.37 C ATOM 401 NE2 HIS A 25 -8.609 9.923 16.838 1.00 53.06 N ATOM 402 HA HIS A 25 -8.294 11.258 12.475 1.00 0.00 H ATOM 403 HB2 HIS A 25 -10.963 11.383 13.920 1.00 0.00 H ATOM 404 HB3 HIS A 25 -10.389 9.953 13.030 1.00 0.00 H ATOM 405 HD2 HIS A 25 -10.356 11.235 16.554 1.00 0.00 H ATOM 406 HE1 HIS A 25 -6.996 8.628 16.257 1.00 0.00 H ATOM 407 H HIS A 25 -9.763 13.592 13.661 1.00 0.00 H ATOM 408 N LYS A 26 -10.119 13.162 10.907 1.00 46.27 N ATOM 409 CA LYS A 26 -10.785 13.385 9.638 1.00 44.97 C ATOM 410 C LYS A 26 -9.945 14.339 8.816 1.00 45.16 C ATOM 411 O LYS A 26 -9.244 15.178 9.372 1.00 44.98 O ATOM 412 CB LYS A 26 -12.174 13.984 9.825 1.00 44.92 C ATOM 413 CG LYS A 26 -13.172 13.107 10.569 1.00 44.60 C ATOM 414 CD LYS A 26 -14.513 13.814 10.629 1.00 47.85 C ATOM 415 CE LYS A 26 -15.523 12.975 11.354 1.00 49.56 C ATOM 416 NZ LYS A 26 -16.874 13.516 11.103 1.00 53.44 N ATOM 417 HA LYS A 26 -10.899 12.424 9.136 1.00 0.00 H ATOM 418 HB2 LYS A 26 -12.066 14.916 10.380 1.00 0.00 H ATOM 419 HB3 LYS A 26 -12.584 14.196 8.838 1.00 0.00 H ATOM 420 HG2 LYS A 26 -13.284 12.157 10.046 1.00 0.00 H ATOM 421 HG3 LYS A 26 -12.812 12.923 11.581 1.00 0.00 H ATOM 422 HD2 LYS A 26 -14.394 14.763 11.152 1.00 0.00 H ATOM 423 HD3 LYS A 26 -14.865 14.001 9.614 1.00 0.00 H ATOM 424 HE2 LYS A 26 -15.314 12.996 12.424 1.00 0.00 H ATOM 425 HE3 LYS A 26 -15.469 11.947 10.995 1.00 0.00 H ATOM 426 HZ1 LYS A 26 -16.923 14.496 11.446 1.00 0.00 H ATOM 427 HZ2 LYS A 26 -17.070 13.495 10.082 1.00 0.00 H ATOM 428 HZ3 LYS A 26 -17.577 12.936 11.604 1.00 0.00 H ATOM 429 H LYS A 26 -9.713 13.963 11.432 1.00 0.00 H ATOM 430 N LEU A 27 -10.038 14.206 7.495 1.00 43.08 N ATOM 431 CA LEU A 27 -9.420 15.135 6.575 1.00 43.70 C ATOM 432 C LEU A 27 -10.384 16.271 6.238 1.00 43.83 C ATOM 433 O LEU A 27 -11.449 16.016 5.633 1.00 43.53 O ATOM 434 CB LEU A 27 -9.051 14.402 5.281 1.00 43.57 C ATOM 435 CG LEU A 27 -8.023 13.261 5.428 1.00 44.61 C ATOM 436 CD1 LEU A 27 -8.082 12.421 4.156 1.00 46.94 C ATOM 437 CD2 LEU A 27 -6.610 13.838 5.569 1.00 43.81 C ATOM 438 HA LEU A 27 -8.526 15.547 7.044 1.00 0.00 H ATOM 439 HB2 LEU A 27 -9.964 13.978 4.864 1.00 0.00 H ATOM 440 HB3 LEU A 27 -8.641 15.135 4.586 1.00 0.00 H ATOM 441 HG LEU A 27 -8.252 12.665 6.311 1.00 0.00 H ATOM 442 HD21 LEU A 27 -6.369 14.425 4.683 1.00 0.00 H ATOM 443 HD22 LEU A 27 -6.566 14.475 6.452 1.00 0.00 H ATOM 444 HD23 LEU A 27 -5.894 13.022 5.672 1.00 0.00 H ATOM 445 HD11 LEU A 27 -9.087 12.015 4.036 1.00 0.00 H ATOM 446 HD12 LEU A 27 -7.837 13.046 3.298 1.00 0.00 H ATOM 447 HD13 LEU A 27 -7.365 11.603 4.228 1.00 0.00 H ATOM 448 H LEU A 27 -10.576 13.403 7.110 1.00 0.00 H ATOM 449 N LYS A 28 -10.036 17.508 6.608 1.00 43.16 N ATOM 450 CA LYS A 28 -10.792 18.664 6.109 1.00 44.34 C ATOM 451 C LYS A 28 -10.344 18.953 4.682 1.00 44.12 C ATOM 452 O LYS A 28 -9.419 18.348 4.193 1.00 44.43 O ATOM 453 CB LYS A 28 -10.594 19.923 6.963 1.00 44.69 C ATOM 454 CG LYS A 28 -9.148 20.195 7.381 1.00 45.50 C ATOM 455 CD LYS A 28 -8.898 21.638 7.824 1.00 46.37 C ATOM 456 CE LYS A 28 -10.020 22.212 8.644 1.00 51.98 C ATOM 457 NZ LYS A 28 -10.145 21.518 9.965 1.00 57.61 N ATOM 458 HA LYS A 28 -11.851 18.412 6.155 1.00 0.00 H ATOM 459 HB2 LYS A 28 -10.949 20.780 6.391 1.00 0.00 H ATOM 460 HB3 LYS A 28 -11.194 19.818 7.867 1.00 0.00 H ATOM 461 HG2 LYS A 28 -8.898 19.532 8.209 1.00 0.00 H ATOM 462 HG3 LYS A 28 -8.498 19.977 6.534 1.00 0.00 H ATOM 463 HD2 LYS A 28 -7.986 21.664 8.420 1.00 0.00 H ATOM 464 HD3 LYS A 28 -8.768 22.255 6.935 1.00 0.00 H ATOM 465 HE2 LYS A 28 -10.955 22.099 8.094 1.00 0.00 H ATOM 466 HE3 LYS A 28 -9.827 23.271 8.817 1.00 0.00 H ATOM 467 HZ1 LYS A 28 -10.335 20.508 9.808 1.00 0.00 H ATOM 468 HZ2 LYS A 28 -9.258 21.627 10.498 1.00 0.00 H ATOM 469 HZ3 LYS A 28 -10.928 21.939 10.504 1.00 0.00 H ATOM 470 H LYS A 28 -9.230 17.651 7.249 1.00 0.00 H ATOM 471 N LYS A 29 -10.999 19.883 4.010 1.00 43.84 N ATOM 472 CA LYS A 29 -10.643 20.129 2.619 1.00 44.31 C ATOM 473 C LYS A 29 -9.166 20.468 2.408 1.00 44.50 C ATOM 474 O LYS A 29 -8.567 19.898 1.521 1.00 44.30 O ATOM 475 CB LYS A 29 -11.565 21.158 1.971 1.00 43.14 C ATOM 476 CG LYS A 29 -12.993 20.634 1.827 1.00 42.58 C ATOM 477 CD LYS A 29 -13.890 21.575 1.013 1.00 42.72 C ATOM 478 CE LYS A 29 -14.151 22.814 1.747 1.00 41.11 C ATOM 479 NZ LYS A 29 -15.068 23.773 1.024 1.00 41.30 N ATOM 480 HA LYS A 29 -10.796 19.179 2.106 1.00 0.00 H ATOM 481 HB2 LYS A 29 -11.580 22.056 2.588 1.00 0.00 H ATOM 482 HB3 LYS A 29 -11.178 21.404 0.982 1.00 0.00 H ATOM 483 HG2 LYS A 29 -12.961 19.665 1.329 1.00 0.00 H ATOM 484 HG3 LYS A 29 -13.423 20.515 2.821 1.00 0.00 H ATOM 485 HD2 LYS A 29 -13.395 21.815 0.072 1.00 0.00 H ATOM 486 HD3 LYS A 29 -14.837 21.076 0.807 1.00 0.00 H ATOM 487 HE2 LYS A 29 -13.199 23.316 1.923 1.00 0.00 H ATOM 488 HE3 LYS A 29 -14.607 22.557 2.703 1.00 0.00 H ATOM 489 HZ1 LYS A 29 -14.642 24.038 0.113 1.00 0.00 H ATOM 490 HZ2 LYS A 29 -15.986 23.314 0.858 1.00 0.00 H ATOM 491 HZ3 LYS A 29 -15.205 24.625 1.605 1.00 0.00 H ATOM 492 H LYS A 29 -11.756 20.430 4.467 1.00 0.00 H ATOM 493 N SER A 30 -8.585 21.368 3.211 1.00 44.86 N ATOM 494 CA SER A 30 -7.145 21.717 3.034 1.00 46.13 C ATOM 495 C SER A 30 -6.175 20.535 3.228 1.00 45.86 C ATOM 496 O SER A 30 -5.175 20.385 2.504 1.00 46.65 O ATOM 497 CB SER A 30 -6.751 22.869 3.973 1.00 45.74 C ATOM 498 OG SER A 30 -6.843 22.434 5.322 1.00 46.59 O ATOM 499 HA SER A 30 -7.048 22.023 1.992 1.00 0.00 H ATOM 500 HB2 SER A 30 -7.424 23.712 3.816 1.00 0.00 H ATOM 501 HB3 SER A 30 -5.728 23.178 3.760 1.00 0.00 H ATOM 502 HG SER A 30 -6.589 23.177 5.925 1.00 0.00 H ATOM 503 H SER A 30 -9.140 21.826 3.962 1.00 0.00 H ATOM 504 N GLU A 31 -6.472 19.678 4.195 1.00 45.62 N ATOM 505 CA GLU A 31 -5.666 18.460 4.409 1.00 44.98 C ATOM 506 C GLU A 31 -5.819 17.467 3.248 1.00 46.01 C ATOM 507 O GLU A 31 -4.841 16.846 2.829 1.00 46.52 O ATOM 508 CB GLU A 31 -6.077 17.773 5.716 1.00 43.80 C ATOM 509 CG GLU A 31 -5.837 18.646 6.945 1.00 43.50 C ATOM 510 CD GLU A 31 -6.504 18.069 8.178 1.00 38.94 C ATOM 511 OE1 GLU A 31 -7.493 17.345 8.027 1.00 40.62 O ATOM 512 OE2 GLU A 31 -6.069 18.349 9.303 1.00 42.04 O ATOM 513 HA GLU A 31 -4.622 18.768 4.464 1.00 0.00 H ATOM 514 HB2 GLU A 31 -7.138 17.530 5.663 1.00 0.00 H ATOM 515 HB3 GLU A 31 -5.500 16.854 5.823 1.00 0.00 H ATOM 516 HG2 GLU A 31 -4.764 18.718 7.124 1.00 0.00 H ATOM 517 HG3 GLU A 31 -6.241 19.641 6.757 1.00 0.00 H ATOM 518 H GLU A 31 -7.287 19.867 4.813 1.00 0.00 H ATOM 519 N LEU A 32 -7.039 17.312 2.739 1.00 45.94 N ATOM 520 CA LEU A 32 -7.283 16.385 1.610 1.00 46.08 C ATOM 521 C LEU A 32 -6.533 16.874 0.371 1.00 45.75 C ATOM 522 O LEU A 32 -5.916 16.077 -0.367 1.00 45.59 O ATOM 523 CB LEU A 32 -8.764 16.398 1.284 1.00 46.08 C ATOM 524 CG LEU A 32 -9.523 15.205 0.684 1.00 48.81 C ATOM 525 CD1 LEU A 32 -10.589 15.665 -0.305 1.00 46.02 C ATOM 526 CD2 LEU A 32 -8.706 13.987 0.184 1.00 47.24 C ATOM 527 HA LEU A 32 -6.947 15.386 1.886 1.00 0.00 H ATOM 528 HB2 LEU A 32 -9.271 16.630 2.221 1.00 0.00 H ATOM 529 HB3 LEU A 32 -8.905 17.221 0.583 1.00 0.00 H ATOM 530 HG LEU A 32 -10.007 14.766 1.556 1.00 0.00 H ATOM 531 HD21 LEU A 32 -8.022 14.308 -0.602 1.00 0.00 H ATOM 532 HD22 LEU A 32 -8.137 13.568 1.014 1.00 0.00 H ATOM 533 HD23 LEU A 32 -9.386 13.232 -0.210 1.00 0.00 H ATOM 534 HD11 LEU A 32 -11.304 16.309 0.207 1.00 0.00 H ATOM 535 HD12 LEU A 32 -10.116 16.218 -1.116 1.00 0.00 H ATOM 536 HD13 LEU A 32 -11.106 14.795 -0.710 1.00 0.00 H ATOM 537 H LEU A 32 -7.833 17.850 3.140 1.00 0.00 H ATOM 538 N LYS A 33 -6.632 18.171 0.114 1.00 45.11 N ATOM 539 CA LYS A 33 -5.929 18.799 -1.034 1.00 46.16 C ATOM 540 C LYS A 33 -4.411 18.514 -1.008 1.00 46.91 C ATOM 541 O LYS A 33 -3.830 18.080 -2.017 1.00 47.35 O ATOM 542 CB LYS A 33 -6.197 20.305 -1.058 1.00 45.60 C ATOM 543 CG LYS A 33 -5.346 21.101 -2.049 1.00 44.95 C ATOM 544 CD LYS A 33 -5.655 22.600 -1.943 1.00 48.15 C ATOM 545 CE LYS A 33 -4.401 23.463 -2.120 1.00 52.29 C ATOM 546 NZ LYS A 33 -4.689 24.955 -2.062 1.00 50.77 N ATOM 547 HA LYS A 33 -6.323 18.354 -1.947 1.00 0.00 H ATOM 548 HB2 LYS A 33 -7.245 20.457 -1.315 1.00 0.00 H ATOM 549 HB3 LYS A 33 -6.008 20.698 -0.059 1.00 0.00 H ATOM 550 HG2 LYS A 33 -4.291 20.936 -1.829 1.00 0.00 H ATOM 551 HG3 LYS A 33 -5.563 20.761 -3.062 1.00 0.00 H ATOM 552 HD2 LYS A 33 -6.376 22.866 -2.716 1.00 0.00 H ATOM 553 HD3 LYS A 33 -6.085 22.802 -0.962 1.00 0.00 H ATOM 554 HE2 LYS A 33 -3.955 23.233 -3.088 1.00 0.00 H ATOM 555 HE3 LYS A 33 -3.694 23.215 -1.328 1.00 0.00 H ATOM 556 HZ1 LYS A 33 -5.355 25.208 -2.820 1.00 0.00 H ATOM 557 HZ2 LYS A 33 -5.106 25.191 -1.139 1.00 0.00 H ATOM 558 HZ3 LYS A 33 -3.802 25.483 -2.188 1.00 0.00 H ATOM 559 H LYS A 33 -7.219 18.766 0.734 1.00 0.00 H ATOM 560 N GLU A 34 -3.782 18.753 0.146 1.00 46.78 N ATOM 561 CA GLU A 34 -2.345 18.553 0.295 1.00 47.04 C ATOM 562 C GLU A 34 -1.996 17.079 0.158 1.00 47.19 C ATOM 563 O GLU A 34 -0.984 16.743 -0.468 1.00 47.67 O ATOM 564 CB GLU A 34 -1.824 19.119 1.631 1.00 46.48 C ATOM 565 CG GLU A 34 -2.082 20.641 1.890 1.00 46.95 C ATOM 566 CD GLU A 34 -1.386 21.594 0.929 1.00 51.44 C ATOM 567 OE1 GLU A 34 -0.899 21.163 -0.148 1.00 51.17 O ATOM 568 OE2 GLU A 34 -1.345 22.824 1.247 1.00 53.48 O ATOM 569 HA GLU A 34 -1.850 19.104 -0.504 1.00 0.00 H ATOM 570 HB2 GLU A 34 -2.300 18.560 2.437 1.00 0.00 H ATOM 571 HB3 GLU A 34 -0.747 18.955 1.664 1.00 0.00 H ATOM 572 HG2 GLU A 34 -3.155 20.817 1.820 1.00 0.00 H ATOM 573 HG3 GLU A 34 -1.742 20.873 2.899 1.00 0.00 H ATOM 574 H GLU A 34 -4.332 19.091 0.961 1.00 0.00 H ATOM 575 N LEU A 35 -2.864 16.196 0.677 1.00 47.68 N ATOM 576 CA LEU A 35 -2.641 14.764 0.567 1.00 46.21 C ATOM 577 C LEU A 35 -2.606 14.411 -0.911 1.00 46.40 C ATOM 578 O LEU A 35 -1.676 13.727 -1.370 1.00 47.91 O ATOM 579 CB LEU A 35 -3.735 13.948 1.290 1.00 46.12 C ATOM 580 CG LEU A 35 -3.497 12.426 1.336 1.00 45.81 C ATOM 581 CD1 LEU A 35 -4.071 11.789 2.614 1.00 48.66 C ATOM 582 CD2 LEU A 35 -4.033 11.632 0.101 1.00 45.92 C ATOM 583 HA LEU A 35 -1.697 14.511 1.049 1.00 0.00 H ATOM 584 HB2 LEU A 35 -3.803 14.310 2.316 1.00 0.00 H ATOM 585 HB3 LEU A 35 -4.681 14.126 0.780 1.00 0.00 H ATOM 586 HG LEU A 35 -2.410 12.344 1.323 1.00 0.00 H ATOM 587 HD21 LEU A 35 -5.110 11.776 0.017 1.00 0.00 H ATOM 588 HD22 LEU A 35 -3.545 11.996 -0.803 1.00 0.00 H ATOM 589 HD23 LEU A 35 -3.816 10.572 0.230 1.00 0.00 H ATOM 590 HD11 LEU A 35 -3.593 12.235 3.487 1.00 0.00 H ATOM 591 HD12 LEU A 35 -5.146 11.967 2.656 1.00 0.00 H ATOM 592 HD13 LEU A 35 -3.879 10.716 2.601 1.00 0.00 H ATOM 593 H LEU A 35 -3.713 16.544 1.167 1.00 0.00 H ATOM 594 N ILE A 36 -3.610 14.867 -1.661 1.00 45.17 N ATOM 595 CA ILE A 36 -3.676 14.582 -3.110 1.00 45.12 C ATOM 596 C ILE A 36 -2.494 15.193 -3.867 1.00 44.94 C ATOM 597 O ILE A 36 -1.863 14.542 -4.695 1.00 44.66 O ATOM 598 CB ILE A 36 -5.002 15.088 -3.716 1.00 45.51 C ATOM 599 CG1 ILE A 36 -6.126 14.141 -3.306 1.00 44.20 C ATOM 600 CG2 ILE A 36 -4.923 15.136 -5.294 1.00 46.60 C ATOM 601 CD1 ILE A 36 -7.558 14.743 -3.507 1.00 45.10 C ATOM 602 HA ILE A 36 -3.626 13.499 -3.220 1.00 0.00 H ATOM 603 HB ILE A 36 -5.191 16.096 -3.346 1.00 0.00 H ATOM 604 HG12 ILE A 36 -6.047 13.233 -3.903 1.00 0.00 H ATOM 605 HG13 ILE A 36 -6.001 13.893 -2.252 1.00 0.00 H ATOM 606 HD11 ILE A 36 -7.658 15.647 -2.907 1.00 0.00 H ATOM 607 HD12 ILE A 36 -7.704 14.986 -4.559 1.00 0.00 H ATOM 608 HD13 ILE A 36 -8.305 14.013 -3.194 1.00 0.00 H ATOM 609 HG21 ILE A 36 -4.121 15.809 -5.596 1.00 0.00 H ATOM 610 HG22 ILE A 36 -4.723 14.135 -5.677 1.00 0.00 H ATOM 611 HG23 ILE A 36 -5.871 15.496 -5.693 1.00 0.00 H ATOM 612 H ILE A 36 -4.361 15.434 -1.218 1.00 0.00 H ATOM 613 N ASN A 37 -2.190 16.450 -3.566 1.00 44.25 N ATOM 614 CA ASN A 37 -1.083 17.169 -4.203 1.00 44.55 C ATOM 615 C ASN A 37 0.321 16.568 -3.944 1.00 45.08 C ATOM 616 O ASN A 37 1.142 16.533 -4.850 1.00 45.10 O ATOM 617 CB ASN A 37 -1.131 18.668 -3.820 1.00 43.88 C ATOM 618 CG ASN A 37 -2.204 19.442 -4.589 1.00 44.98 C ATOM 619 OD1 ASN A 37 -2.396 20.679 -4.414 1.00 46.90 O ATOM 620 ND2 ASN A 37 -2.907 18.734 -5.450 1.00 38.12 N ATOM 621 HA ASN A 37 -1.235 17.055 -5.276 1.00 0.00 H ATOM 622 HB2 ASN A 37 -1.340 18.749 -2.753 1.00 0.00 H ATOM 623 HB3 ASN A 37 -0.159 19.114 -4.033 1.00 0.00 H ATOM 624 HD22 ASN A 37 -2.718 17.718 -5.565 1.00 0.00 H ATOM 625 HD21 ASN A 37 -3.651 19.192 -6.015 1.00 0.00 H ATOM 626 H ASN A 37 -2.760 16.944 -2.850 1.00 0.00 H ATOM 627 N ASN A 38 0.599 16.177 -2.703 1.00 45.08 N ATOM 628 CA ASN A 38 1.930 15.685 -2.286 1.00 45.46 C ATOM 629 C ASN A 38 2.134 14.204 -2.514 1.00 45.54 C ATOM 630 O ASN A 38 3.245 13.781 -2.794 1.00 44.94 O ATOM 631 CB ASN A 38 2.191 15.954 -0.782 1.00 44.72 C ATOM 632 CG ASN A 38 2.097 17.425 -0.421 1.00 45.75 C ATOM 633 OD1 ASN A 38 2.227 18.293 -1.289 1.00 43.02 O ATOM 634 ND2 ASN A 38 1.859 17.714 0.859 1.00 41.80 N ATOM 635 HA ASN A 38 2.628 16.238 -2.915 1.00 0.00 H ATOM 636 HB2 ASN A 38 1.454 15.404 -0.197 1.00 0.00 H ATOM 637 HB3 ASN A 38 3.190 15.597 -0.533 1.00 0.00 H ATOM 638 HD22 ASN A 38 1.757 16.948 1.555 1.00 0.00 H ATOM 639 HD21 ASN A 38 1.776 18.706 1.161 1.00 0.00 H ATOM 640 H ASN A 38 -0.157 16.219 -1.991 1.00 0.00 H ATOM 641 N GLU A 39 1.063 13.423 -2.371 1.00 45.96 N ATOM 642 CA GLU A 39 1.149 11.967 -2.304 1.00 45.55 C ATOM 643 C GLU A 39 0.522 11.254 -3.473 1.00 45.30 C ATOM 644 O GLU A 39 0.730 10.044 -3.623 1.00 45.36 O ATOM 645 CB GLU A 39 0.454 11.440 -1.019 1.00 45.94 C ATOM 646 CG GLU A 39 0.855 12.185 0.271 1.00 46.89 C ATOM 647 CD GLU A 39 2.352 12.263 0.519 1.00 48.45 C ATOM 648 OE1 GLU A 39 3.097 11.343 0.116 1.00 47.92 O ATOM 649 OE2 GLU A 39 2.784 13.256 1.158 1.00 47.63 O ATOM 650 HA GLU A 39 2.218 11.753 -2.310 1.00 0.00 H ATOM 651 HB2 GLU A 39 -0.624 11.538 -1.149 1.00 0.00 H ATOM 652 HB3 GLU A 39 0.710 10.387 -0.899 1.00 0.00 H ATOM 653 HG2 GLU A 39 0.467 13.202 0.211 1.00 0.00 H ATOM 654 HG3 GLU A 39 0.397 11.672 1.116 1.00 0.00 H ATOM 655 H GLU A 39 0.126 13.870 -2.304 1.00 0.00 H ATOM 656 N LEU A 40 -0.300 11.959 -4.247 1.00 44.38 N ATOM 657 CA LEU A 40 -0.921 11.348 -5.447 1.00 44.76 C ATOM 658 C LEU A 40 -0.566 12.019 -6.787 1.00 44.28 C ATOM 659 O LEU A 40 -1.329 11.917 -7.772 1.00 44.53 O ATOM 660 CB LEU A 40 -2.444 11.222 -5.279 1.00 44.57 C ATOM 661 CG LEU A 40 -2.864 10.196 -4.215 1.00 44.60 C ATOM 662 CD1 LEU A 40 -4.365 10.277 -3.982 1.00 41.64 C ATOM 663 CD2 LEU A 40 -2.463 8.756 -4.614 1.00 45.62 C ATOM 664 HA LEU A 40 -0.478 10.354 -5.510 1.00 0.00 H ATOM 665 HB2 LEU A 40 -2.841 12.196 -4.994 1.00 0.00 H ATOM 666 HB3 LEU A 40 -2.873 10.922 -6.235 1.00 0.00 H ATOM 667 HG LEU A 40 -2.338 10.439 -3.292 1.00 0.00 H ATOM 668 HD21 LEU A 40 -2.948 8.492 -5.554 1.00 0.00 H ATOM 669 HD22 LEU A 40 -1.381 8.702 -4.734 1.00 0.00 H ATOM 670 HD23 LEU A 40 -2.779 8.063 -3.834 1.00 0.00 H ATOM 671 HD11 LEU A 40 -4.625 11.279 -3.639 1.00 0.00 H ATOM 672 HD12 LEU A 40 -4.888 10.064 -4.914 1.00 0.00 H ATOM 673 HD13 LEU A 40 -4.654 9.546 -3.226 1.00 0.00 H ATOM 674 H LEU A 40 -0.509 12.949 -4.008 1.00 0.00 H ATOM 675 N SER A 41 0.615 12.642 -6.838 1.00 44.12 N ATOM 676 CA SER A 41 0.995 13.475 -7.964 1.00 44.22 C ATOM 677 C SER A 41 1.200 12.713 -9.251 1.00 44.66 C ATOM 678 O SER A 41 1.261 13.335 -10.309 1.00 44.65 O ATOM 679 CB SER A 41 2.271 14.310 -7.672 1.00 44.67 C ATOM 680 OG SER A 41 3.367 13.522 -7.220 1.00 42.92 O ATOM 681 HA SER A 41 0.141 14.139 -8.101 1.00 0.00 H ATOM 682 HB2 SER A 41 2.035 15.047 -6.905 1.00 0.00 H ATOM 683 HB3 SER A 41 2.567 14.822 -8.587 1.00 0.00 H ATOM 684 HG SER A 41 3.115 13.058 -6.383 1.00 0.00 H ATOM 685 H SER A 41 1.281 12.527 -6.048 1.00 0.00 H ATOM 686 N HIS A 42 1.355 11.392 -9.175 1.00 44.34 N ATOM 687 CA HIS A 42 1.518 10.588 -10.391 1.00 45.04 C ATOM 688 C HIS A 42 0.206 10.005 -10.875 1.00 45.06 C ATOM 689 O HIS A 42 0.126 9.474 -11.971 1.00 45.18 O ATOM 690 CB HIS A 42 2.587 9.499 -10.191 1.00 45.59 C ATOM 691 CG HIS A 42 3.915 10.059 -9.787 1.00 46.63 C ATOM 692 ND1 HIS A 42 4.355 10.072 -8.480 1.00 47.25 N ATOM 693 CD2 HIS A 42 4.879 10.678 -10.514 1.00 48.75 C ATOM 694 CE1 HIS A 42 5.548 10.640 -8.422 1.00 46.97 C ATOM 695 NE2 HIS A 42 5.882 11.027 -9.640 1.00 48.42 N ATOM 696 HA HIS A 42 1.866 11.258 -11.178 1.00 0.00 H ATOM 697 HB2 HIS A 42 2.246 8.814 -9.414 1.00 0.00 H ATOM 698 HB3 HIS A 42 2.709 8.953 -11.127 1.00 0.00 H ATOM 699 HD2 HIS A 42 4.862 10.864 -11.588 1.00 0.00 H ATOM 700 HE1 HIS A 42 6.152 10.767 -7.523 1.00 0.00 H ATOM 701 H HIS A 42 1.360 10.927 -8.245 1.00 0.00 H ATOM 702 N PHE A 43 -0.827 10.120 -10.056 1.00 44.31 N ATOM 703 CA PHE A 43 -2.107 9.530 -10.370 1.00 45.50 C ATOM 704 C PHE A 43 -3.180 10.553 -10.635 1.00 45.70 C ATOM 705 O PHE A 43 -4.051 10.309 -11.460 1.00 46.24 O ATOM 706 CB PHE A 43 -2.587 8.580 -9.264 1.00 45.88 C ATOM 707 CG PHE A 43 -1.824 7.280 -9.199 1.00 44.99 C ATOM 708 CD1 PHE A 43 -1.606 6.521 -10.340 1.00 47.07 C ATOM 709 CD2 PHE A 43 -1.345 6.811 -8.009 1.00 46.77 C ATOM 710 CE1 PHE A 43 -0.907 5.325 -10.270 1.00 46.99 C ATOM 711 CE2 PHE A 43 -0.631 5.605 -7.939 1.00 44.84 C ATOM 712 CZ PHE A 43 -0.412 4.880 -9.063 1.00 45.46 C ATOM 713 HA PHE A 43 -1.940 8.965 -11.287 1.00 0.00 H ATOM 714 HB2 PHE A 43 -2.482 9.088 -8.305 1.00 0.00 H ATOM 715 HB3 PHE A 43 -3.638 8.352 -9.439 1.00 0.00 H ATOM 716 HD2 PHE A 43 -1.520 7.383 -7.098 1.00 0.00 H ATOM 717 HE2 PHE A 43 -0.252 5.251 -6.980 1.00 0.00 H ATOM 718 HZ PHE A 43 0.153 3.949 -9.013 1.00 0.00 H ATOM 719 HE1 PHE A 43 -0.749 4.735 -11.173 1.00 0.00 H ATOM 720 HD1 PHE A 43 -1.988 6.868 -11.300 1.00 0.00 H ATOM 721 H PHE A 43 -0.714 10.647 -9.166 1.00 0.00 H ATOM 722 N LEU A 44 -3.126 11.677 -9.927 1.00 45.07 N ATOM 723 CA LEU A 44 -4.169 12.690 -10.016 1.00 45.28 C ATOM 724 C LEU A 44 -3.584 14.046 -10.342 1.00 45.67 C ATOM 725 O LEU A 44 -2.498 14.374 -9.881 1.00 44.46 O ATOM 726 CB LEU A 44 -4.935 12.801 -8.683 1.00 45.27 C ATOM 727 CG LEU A 44 -5.726 11.593 -8.142 1.00 46.21 C ATOM 728 CD1 LEU A 44 -6.333 11.940 -6.753 1.00 47.33 C ATOM 729 CD2 LEU A 44 -6.799 11.051 -9.083 1.00 47.61 C ATOM 730 HA LEU A 44 -4.848 12.384 -10.812 1.00 0.00 H ATOM 731 HB2 LEU A 44 -4.202 13.064 -7.920 1.00 0.00 H ATOM 732 HB3 LEU A 44 -5.648 13.618 -8.797 1.00 0.00 H ATOM 733 HG LEU A 44 -5.004 10.782 -8.050 1.00 0.00 H ATOM 734 HD21 LEU A 44 -7.528 11.835 -9.291 1.00 0.00 H ATOM 735 HD22 LEU A 44 -6.334 10.729 -10.015 1.00 0.00 H ATOM 736 HD23 LEU A 44 -7.299 10.204 -8.613 1.00 0.00 H ATOM 737 HD11 LEU A 44 -5.530 12.186 -6.058 1.00 0.00 H ATOM 738 HD12 LEU A 44 -7.003 12.794 -6.854 1.00 0.00 H ATOM 739 HD13 LEU A 44 -6.890 11.082 -6.377 1.00 0.00 H ATOM 740 H LEU A 44 -2.318 11.837 -9.293 1.00 0.00 H ATOM 741 N GLU A 45 -4.355 14.851 -11.079 1.00 45.82 N ATOM 742 CA GLU A 45 -3.978 16.229 -11.438 1.00 47.58 C ATOM 743 C GLU A 45 -3.807 17.040 -10.166 1.00 46.00 C ATOM 744 O GLU A 45 -4.587 16.886 -9.236 1.00 45.96 O ATOM 745 CB GLU A 45 -5.088 16.842 -12.305 1.00 47.83 C ATOM 746 CG GLU A 45 -4.770 18.168 -12.970 1.00 51.50 C ATOM 747 CD GLU A 45 -5.823 18.568 -14.023 1.00 52.59 C ATOM 748 OE1 GLU A 45 -6.121 17.767 -14.953 1.00 56.82 O ATOM 749 OE2 GLU A 45 -6.340 19.703 -13.923 1.00 60.77 O ATOM 750 HA GLU A 45 -3.042 16.231 -11.997 1.00 0.00 H ATOM 751 HB2 GLU A 45 -5.329 16.126 -13.091 1.00 0.00 H ATOM 752 HB3 GLU A 45 -5.961 16.990 -11.670 1.00 0.00 H ATOM 753 HG2 GLU A 45 -4.729 18.943 -12.204 1.00 0.00 H ATOM 754 HG3 GLU A 45 -3.799 18.090 -13.458 1.00 0.00 H ATOM 755 H GLU A 45 -5.268 14.486 -11.417 1.00 0.00 H ATOM 756 N GLU A 46 -2.757 17.845 -10.095 1.00 44.55 N ATOM 757 CA GLU A 46 -2.581 18.761 -8.990 1.00 43.88 C ATOM 758 C GLU A 46 -3.836 19.616 -8.870 1.00 43.24 C ATOM 759 O GLU A 46 -4.337 20.102 -9.871 1.00 43.60 O ATOM 760 CB GLU A 46 -1.383 19.671 -9.254 1.00 43.64 C ATOM 761 CG GLU A 46 -0.972 20.470 -8.028 1.00 45.15 C ATOM 762 CD GLU A 46 0.080 21.497 -8.322 1.00 45.90 C ATOM 763 OE1 GLU A 46 0.540 21.554 -9.475 1.00 45.87 O ATOM 764 OE2 GLU A 46 0.438 22.260 -7.406 1.00 46.21 O ATOM 765 HA GLU A 46 -2.408 18.200 -8.071 1.00 0.00 H ATOM 766 HB2 GLU A 46 -0.540 19.056 -9.568 1.00 0.00 H ATOM 767 HB3 GLU A 46 -1.642 20.366 -10.053 1.00 0.00 H ATOM 768 HG2 GLU A 46 -1.852 20.977 -7.633 1.00 0.00 H ATOM 769 HG3 GLU A 46 -0.584 19.781 -7.278 1.00 0.00 H ATOM 770 H GLU A 46 -2.043 17.817 -10.851 1.00 0.00 H ATOM 771 N ILE A 47 -4.334 19.792 -7.650 1.00 42.53 N ATOM 772 CA ILE A 47 -5.533 20.583 -7.415 1.00 43.29 C ATOM 773 C ILE A 47 -5.110 22.028 -7.187 1.00 42.50 C ATOM 774 O ILE A 47 -4.384 22.296 -6.235 1.00 42.41 O ATOM 775 CB ILE A 47 -6.319 20.078 -6.165 1.00 43.02 C ATOM 776 CG1 ILE A 47 -6.963 18.712 -6.458 1.00 44.53 C ATOM 777 CG2 ILE A 47 -7.354 21.131 -5.755 1.00 44.49 C ATOM 778 CD1 ILE A 47 -7.594 18.019 -5.259 1.00 44.55 C ATOM 779 HA ILE A 47 -6.189 20.493 -8.281 1.00 0.00 H ATOM 780 HB ILE A 47 -5.636 19.936 -5.328 1.00 0.00 H ATOM 781 HG12 ILE A 47 -7.739 18.860 -7.209 1.00 0.00 H ATOM 782 HG13 ILE A 47 -6.191 18.055 -6.859 1.00 0.00 H ATOM 783 HD11 ILE A 47 -6.832 17.846 -4.499 1.00 0.00 H ATOM 784 HD12 ILE A 47 -8.382 18.651 -4.849 1.00 0.00 H ATOM 785 HD13 ILE A 47 -8.019 17.066 -5.574 1.00 0.00 H ATOM 786 HG21 ILE A 47 -6.845 22.064 -5.513 1.00 0.00 H ATOM 787 HG22 ILE A 47 -8.048 21.297 -6.579 1.00 0.00 H ATOM 788 HG23 ILE A 47 -7.903 20.778 -4.882 1.00 0.00 H ATOM 789 H ILE A 47 -3.853 19.352 -6.840 1.00 0.00 H ATOM 790 N LYS A 48 -5.576 22.956 -8.026 1.00 41.80 N ATOM 791 CA LYS A 48 -5.109 24.352 -7.944 1.00 43.09 C ATOM 792 C LYS A 48 -6.232 25.340 -7.709 1.00 43.60 C ATOM 793 O LYS A 48 -6.019 26.551 -7.820 1.00 44.35 O ATOM 794 CB LYS A 48 -4.412 24.793 -9.245 1.00 41.99 C ATOM 795 CG LYS A 48 -3.129 24.118 -9.535 1.00 42.64 C ATOM 796 CD LYS A 48 -2.403 24.825 -10.683 1.00 48.10 C ATOM 797 CE LYS A 48 -1.441 23.871 -11.363 1.00 49.31 C ATOM 798 NZ LYS A 48 -0.906 24.429 -12.651 1.00 50.06 N ATOM 799 HA LYS A 48 -4.421 24.361 -7.098 1.00 0.00 H ATOM 800 HB2 LYS A 48 -5.091 24.596 -10.075 1.00 0.00 H ATOM 801 HB3 LYS A 48 -4.222 25.864 -9.179 1.00 0.00 H ATOM 802 HG2 LYS A 48 -2.501 24.141 -8.644 1.00 0.00 H ATOM 803 HG3 LYS A 48 -3.323 23.083 -9.815 1.00 0.00 H ATOM 804 HD2 LYS A 48 -3.135 25.177 -11.410 1.00 0.00 H ATOM 805 HD3 LYS A 48 -1.848 25.676 -10.288 1.00 0.00 H ATOM 806 HE2 LYS A 48 -1.962 22.937 -11.574 1.00 0.00 H ATOM 807 HE3 LYS A 48 -0.606 23.675 -10.691 1.00 0.00 H ATOM 808 HZ1 LYS A 48 -1.696 24.612 -13.303 1.00 0.00 H ATOM 809 HZ2 LYS A 48 -0.400 25.317 -12.459 1.00 0.00 H ATOM 810 HZ3 LYS A 48 -0.253 23.743 -13.080 1.00 0.00 H ATOM 811 H LYS A 48 -6.277 22.691 -8.747 1.00 0.00 H ATOM 812 N GLU A 49 -7.421 24.836 -7.435 1.00 43.76 N ATOM 813 CA GLU A 49 -8.599 25.679 -7.428 1.00 44.85 C ATOM 814 C GLU A 49 -9.563 25.265 -6.369 1.00 43.89 C ATOM 815 O GLU A 49 -9.819 24.085 -6.223 1.00 43.88 O ATOM 816 CB GLU A 49 -9.336 25.494 -8.727 1.00 45.17 C ATOM 817 CG GLU A 49 -8.594 25.969 -9.891 1.00 48.85 C ATOM 818 CD GLU A 49 -9.518 26.589 -10.807 1.00 52.93 C ATOM 819 OE1 GLU A 49 -9.612 27.843 -10.769 1.00 56.49 O ATOM 820 OE2 GLU A 49 -10.201 25.809 -11.505 1.00 55.88 O ATOM 821 HA GLU A 49 -8.262 26.703 -7.264 1.00 0.00 H ATOM 822 HB2 GLU A 49 -9.542 24.432 -8.859 1.00 0.00 H ATOM 823 HB3 GLU A 49 -10.277 26.041 -8.671 1.00 0.00 H ATOM 824 HG2 GLU A 49 -7.845 26.696 -9.577 1.00 0.00 H ATOM 825 HG3 GLU A 49 -8.101 25.129 -10.380 1.00 0.00 H ATOM 826 H GLU A 49 -7.513 23.822 -7.222 1.00 0.00 H ATOM 827 N GLN A 50 -10.183 26.237 -5.708 1.00 43.34 N ATOM 828 CA GLN A 50 -11.145 25.908 -4.663 1.00 44.08 C ATOM 829 C GLN A 50 -12.305 25.042 -5.174 1.00 43.49 C ATOM 830 O GLN A 50 -12.767 24.154 -4.469 1.00 43.91 O ATOM 831 CB GLN A 50 -11.695 27.180 -4.018 1.00 43.92 C ATOM 832 CG GLN A 50 -12.509 26.902 -2.749 1.00 44.98 C ATOM 833 CD GLN A 50 -11.665 26.346 -1.609 1.00 44.46 C ATOM 834 OE1 GLN A 50 -10.672 26.950 -1.194 1.00 47.40 O ATOM 835 NE2 GLN A 50 -12.081 25.233 -1.072 1.00 39.48 N ATOM 836 HA GLN A 50 -10.605 25.323 -3.919 1.00 0.00 H ATOM 837 HB2 GLN A 50 -10.858 27.829 -3.760 1.00 0.00 H ATOM 838 HB3 GLN A 50 -12.337 27.686 -4.739 1.00 0.00 H ATOM 839 HG2 GLN A 50 -12.968 27.834 -2.419 1.00 0.00 H ATOM 840 HG3 GLN A 50 -13.289 26.179 -2.988 1.00 0.00 H ATOM 841 HE22 GLN A 50 -12.923 24.755 -1.452 1.00 0.00 H ATOM 842 HE21 GLN A 50 -11.571 24.823 -0.264 1.00 0.00 H ATOM 843 H GLN A 50 -9.982 27.232 -5.936 1.00 0.00 H ATOM 844 N GLU A 51 -12.797 25.302 -6.384 1.00 43.59 N ATOM 845 CA GLU A 51 -13.953 24.543 -6.841 1.00 44.43 C ATOM 846 C GLU A 51 -13.654 23.061 -7.061 1.00 44.49 C ATOM 847 O GLU A 51 -14.530 22.234 -6.871 1.00 45.48 O ATOM 848 CB GLU A 51 -14.681 25.215 -8.011 1.00 45.00 C ATOM 849 CG GLU A 51 -14.200 24.879 -9.367 1.00 47.78 C ATOM 850 CD GLU A 51 -15.071 25.534 -10.430 1.00 49.94 C ATOM 851 OE1 GLU A 51 -14.940 26.758 -10.641 1.00 50.12 O ATOM 852 OE2 GLU A 51 -15.906 24.831 -11.040 1.00 51.74 O ATOM 853 HA GLU A 51 -14.667 24.558 -6.018 1.00 0.00 H ATOM 854 HB2 GLU A 51 -15.732 24.933 -7.953 1.00 0.00 H ATOM 855 HB3 GLU A 51 -14.588 26.294 -7.884 1.00 0.00 H ATOM 856 HG2 GLU A 51 -13.174 25.230 -9.479 1.00 0.00 H ATOM 857 HG3 GLU A 51 -14.229 23.797 -9.498 1.00 0.00 H ATOM 858 H GLU A 51 -12.366 26.030 -6.989 1.00 0.00 H ATOM 859 N VAL A 52 -12.408 22.726 -7.383 1.00 43.79 N ATOM 860 CA VAL A 52 -11.999 21.316 -7.502 1.00 43.98 C ATOM 861 C VAL A 52 -11.851 20.652 -6.113 1.00 45.28 C ATOM 862 O VAL A 52 -12.337 19.539 -5.902 1.00 45.84 O ATOM 863 CB VAL A 52 -10.731 21.173 -8.408 1.00 42.93 C ATOM 864 CG1 VAL A 52 -10.209 19.697 -8.444 1.00 42.64 C ATOM 865 CG2 VAL A 52 -11.048 21.689 -9.826 1.00 42.22 C ATOM 866 HA VAL A 52 -12.792 20.765 -8.007 1.00 0.00 H ATOM 867 HB VAL A 52 -9.931 21.778 -7.982 1.00 0.00 H ATOM 868 HG11 VAL A 52 -9.948 19.381 -7.434 1.00 0.00 H ATOM 869 HG12 VAL A 52 -10.989 19.047 -8.839 1.00 0.00 H ATOM 870 HG13 VAL A 52 -9.328 19.640 -9.083 1.00 0.00 H ATOM 871 HG21 VAL A 52 -11.865 21.105 -10.250 1.00 0.00 H ATOM 872 HG22 VAL A 52 -11.340 22.738 -9.773 1.00 0.00 H ATOM 873 HG23 VAL A 52 -10.163 21.588 -10.454 1.00 0.00 H ATOM 874 H VAL A 52 -11.708 23.475 -7.554 1.00 0.00 H ATOM 875 N VAL A 53 -11.234 21.358 -5.162 1.00 45.96 N ATOM 876 CA VAL A 53 -11.167 20.922 -3.753 1.00 47.23 C ATOM 877 C VAL A 53 -12.610 20.599 -3.267 1.00 46.62 C ATOM 878 O VAL A 53 -12.894 19.503 -2.737 1.00 45.91 O ATOM 879 CB VAL A 53 -10.595 22.101 -2.867 1.00 48.78 C ATOM 880 CG1 VAL A 53 -10.695 21.823 -1.386 1.00 49.47 C ATOM 881 CG2 VAL A 53 -9.139 22.479 -3.250 1.00 51.07 C ATOM 882 HA VAL A 53 -10.525 20.046 -3.667 1.00 0.00 H ATOM 883 HB VAL A 53 -11.232 22.958 -3.084 1.00 0.00 H ATOM 884 HG11 VAL A 53 -11.741 21.679 -1.114 1.00 0.00 H ATOM 885 HG12 VAL A 53 -10.129 20.922 -1.148 1.00 0.00 H ATOM 886 HG13 VAL A 53 -10.287 22.668 -0.831 1.00 0.00 H ATOM 887 HG21 VAL A 53 -8.492 21.612 -3.115 1.00 0.00 H ATOM 888 HG22 VAL A 53 -9.110 22.797 -4.292 1.00 0.00 H ATOM 889 HG23 VAL A 53 -8.796 23.293 -2.611 1.00 0.00 H ATOM 890 H VAL A 53 -10.780 22.256 -5.426 1.00 0.00 H ATOM 891 N ASP A 54 -13.510 21.564 -3.457 1.00 45.26 N ATOM 892 CA ASP A 54 -14.893 21.416 -3.068 1.00 44.40 C ATOM 893 C ASP A 54 -15.544 20.181 -3.702 1.00 44.88 C ATOM 894 O ASP A 54 -16.170 19.399 -3.004 1.00 44.84 O ATOM 895 CB ASP A 54 -15.689 22.686 -3.407 1.00 43.58 C ATOM 896 CG ASP A 54 -15.280 23.905 -2.541 1.00 43.34 C ATOM 897 OD1 ASP A 54 -14.465 23.759 -1.615 1.00 45.10 O ATOM 898 OD2 ASP A 54 -15.761 25.014 -2.799 1.00 37.49 O ATOM 899 HA ASP A 54 -14.911 21.268 -1.988 1.00 0.00 H ATOM 900 HB2 ASP A 54 -15.521 22.932 -4.455 1.00 0.00 H ATOM 901 HB3 ASP A 54 -16.748 22.486 -3.247 1.00 0.00 H ATOM 902 H ASP A 54 -13.206 22.454 -3.901 1.00 0.00 H ATOM 903 N LYS A 55 -15.396 20.009 -5.015 1.00 44.98 N ATOM 904 CA LYS A 55 -16.043 18.889 -5.736 1.00 44.62 C ATOM 905 C LYS A 55 -15.517 17.518 -5.289 1.00 45.25 C ATOM 906 O LYS A 55 -16.288 16.572 -5.145 1.00 42.71 O ATOM 907 CB LYS A 55 -15.875 19.027 -7.261 1.00 45.40 C ATOM 908 CG LYS A 55 -16.831 18.101 -8.084 1.00 45.56 C ATOM 909 CD LYS A 55 -18.265 18.663 -8.027 1.00 47.06 C ATOM 910 CE LYS A 55 -19.326 17.607 -8.316 1.00 49.56 C ATOM 911 NZ LYS A 55 -20.712 18.168 -8.136 1.00 50.26 N ATOM 912 HA LYS A 55 -17.102 18.945 -5.484 1.00 0.00 H ATOM 913 HB2 LYS A 55 -16.075 20.062 -7.538 1.00 0.00 H ATOM 914 HB3 LYS A 55 -14.846 18.776 -7.519 1.00 0.00 H ATOM 915 HG2 LYS A 55 -16.496 18.062 -9.121 1.00 0.00 H ATOM 916 HG3 LYS A 55 -16.817 17.096 -7.661 1.00 0.00 H ATOM 917 HD2 LYS A 55 -18.440 19.070 -7.031 1.00 0.00 H ATOM 918 HD3 LYS A 55 -18.357 19.460 -8.765 1.00 0.00 H ATOM 919 HE2 LYS A 55 -19.190 16.768 -7.633 1.00 0.00 H ATOM 920 HE3 LYS A 55 -19.213 17.260 -9.343 1.00 0.00 H ATOM 921 HZ1 LYS A 55 -20.827 18.497 -7.156 1.00 0.00 H ATOM 922 HZ2 LYS A 55 -20.849 18.966 -8.789 1.00 0.00 H ATOM 923 HZ3 LYS A 55 -21.413 17.428 -8.339 1.00 0.00 H ATOM 924 H LYS A 55 -14.809 20.681 -5.549 1.00 0.00 H ATOM 925 N VAL A 56 -14.196 17.421 -5.110 1.00 45.60 N ATOM 926 CA VAL A 56 -13.585 16.177 -4.656 1.00 46.26 C ATOM 927 C VAL A 56 -14.106 15.810 -3.267 1.00 45.85 C ATOM 928 O VAL A 56 -14.536 14.660 -3.036 1.00 46.07 O ATOM 929 CB VAL A 56 -12.020 16.242 -4.668 1.00 46.42 C ATOM 930 CG1 VAL A 56 -11.421 14.973 -4.056 1.00 47.22 C ATOM 931 CG2 VAL A 56 -11.496 16.379 -6.096 1.00 46.67 C ATOM 932 HA VAL A 56 -13.871 15.396 -5.360 1.00 0.00 H ATOM 933 HB VAL A 56 -11.725 17.111 -4.080 1.00 0.00 H ATOM 934 HG11 VAL A 56 -11.762 14.872 -3.026 1.00 0.00 H ATOM 935 HG12 VAL A 56 -11.743 14.106 -4.633 1.00 0.00 H ATOM 936 HG13 VAL A 56 -10.333 15.041 -4.075 1.00 0.00 H ATOM 937 HG21 VAL A 56 -11.818 15.519 -6.684 1.00 0.00 H ATOM 938 HG22 VAL A 56 -11.890 17.293 -6.540 1.00 0.00 H ATOM 939 HG23 VAL A 56 -10.407 16.422 -6.079 1.00 0.00 H ATOM 940 H VAL A 56 -13.593 18.247 -5.298 1.00 0.00 H ATOM 941 N MET A 57 -14.062 16.766 -2.336 1.00 45.75 N ATOM 942 CA MET A 57 -14.658 16.528 -1.029 1.00 45.62 C ATOM 943 C MET A 57 -16.131 16.145 -1.153 1.00 46.12 C ATOM 944 O MET A 57 -16.568 15.214 -0.491 1.00 46.16 O ATOM 945 CB MET A 57 -14.500 17.734 -0.104 1.00 45.32 C ATOM 946 CG MET A 57 -15.149 17.497 1.268 1.00 45.02 C ATOM 947 SD MET A 57 -14.264 16.169 2.162 1.00 46.19 S ATOM 948 CE MET A 57 -12.833 17.079 2.751 1.00 45.29 C ATOM 949 HA MET A 57 -14.119 15.691 -0.584 1.00 0.00 H ATOM 950 HB2 MET A 57 -13.438 17.932 0.039 1.00 0.00 H ATOM 951 HB3 MET A 57 -14.970 18.600 -0.571 1.00 0.00 H ATOM 952 HG2 MET A 57 -16.190 17.206 1.129 1.00 0.00 H ATOM 953 HG3 MET A 57 -15.105 18.416 1.852 1.00 0.00 H ATOM 954 HE1 MET A 57 -12.283 17.480 1.899 1.00 0.00 H ATOM 955 HE2 MET A 57 -13.163 17.898 3.391 1.00 0.00 H ATOM 956 HE3 MET A 57 -12.187 16.410 3.319 1.00 0.00 H ATOM 957 H MET A 57 -13.604 17.676 -2.543 1.00 0.00 H ATOM 958 N GLU A 58 -16.909 16.870 -1.976 1.00 47.08 N ATOM 959 CA GLU A 58 -18.332 16.524 -2.209 1.00 47.37 C ATOM 960 C GLU A 58 -18.499 15.053 -2.603 1.00 47.10 C ATOM 961 O GLU A 58 -19.398 14.344 -2.138 1.00 46.70 O ATOM 962 CB GLU A 58 -18.946 17.387 -3.330 1.00 47.14 C ATOM 963 CG GLU A 58 -20.413 17.004 -3.600 1.00 48.99 C ATOM 964 CD GLU A 58 -21.110 17.828 -4.687 1.00 49.41 C ATOM 965 OE1 GLU A 58 -21.313 17.295 -5.787 1.00 52.18 O ATOM 966 OE2 GLU A 58 -21.469 18.987 -4.447 1.00 50.73 O ATOM 967 HA GLU A 58 -18.847 16.714 -1.267 1.00 0.00 H ATOM 968 HB2 GLU A 58 -18.902 18.435 -3.034 1.00 0.00 H ATOM 969 HB3 GLU A 58 -18.369 17.244 -4.243 1.00 0.00 H ATOM 970 HG2 GLU A 58 -20.439 15.957 -3.901 1.00 0.00 H ATOM 971 HG3 GLU A 58 -20.971 17.128 -2.672 1.00 0.00 H ATOM 972 H GLU A 58 -16.502 17.695 -2.462 1.00 0.00 H ATOM 973 N THR A 59 -17.614 14.616 -3.479 1.00 47.24 N ATOM 974 CA THR A 59 -17.604 13.246 -3.988 1.00 47.07 C ATOM 975 C THR A 59 -17.269 12.201 -2.902 1.00 46.69 C ATOM 976 O THR A 59 -17.981 11.187 -2.781 1.00 46.35 O ATOM 977 CB THR A 59 -16.635 13.175 -5.165 1.00 47.98 C ATOM 978 OG1 THR A 59 -17.047 14.157 -6.135 1.00 50.26 O ATOM 979 CG2 THR A 59 -16.613 11.790 -5.802 1.00 47.14 C ATOM 980 HA THR A 59 -18.610 12.991 -4.322 1.00 0.00 H ATOM 981 HB THR A 59 -15.625 13.376 -4.808 1.00 0.00 H ATOM 982 HG1 THR A 59 -17.022 15.057 -5.723 1.00 0.00 H ATOM 983 HG23 THR A 59 -16.300 11.055 -5.060 1.00 0.00 H ATOM 984 HG21 THR A 59 -17.611 11.542 -6.163 1.00 0.00 H ATOM 985 HG22 THR A 59 -15.912 11.786 -6.637 1.00 0.00 H ATOM 986 H THR A 59 -16.889 15.278 -3.823 1.00 0.00 H ATOM 987 N LEU A 60 -16.249 12.469 -2.078 1.00 45.66 N ATOM 988 CA LEU A 60 -15.751 11.485 -1.106 1.00 45.21 C ATOM 989 C LEU A 60 -16.573 11.420 0.186 1.00 45.02 C ATOM 990 O LEU A 60 -16.531 10.428 0.923 1.00 43.39 O ATOM 991 CB LEU A 60 -14.274 11.774 -0.766 1.00 45.92 C ATOM 992 CG LEU A 60 -13.301 11.831 -1.936 1.00 45.39 C ATOM 993 CD1 LEU A 60 -11.875 11.937 -1.396 1.00 45.98 C ATOM 994 CD2 LEU A 60 -13.475 10.557 -2.833 1.00 45.42 C ATOM 995 HA LEU A 60 -15.849 10.512 -1.587 1.00 0.00 H ATOM 996 HB2 LEU A 60 -14.234 12.737 -0.256 1.00 0.00 H ATOM 997 HB3 LEU A 60 -13.931 10.991 -0.089 1.00 0.00 H ATOM 998 HG LEU A 60 -13.506 12.706 -2.552 1.00 0.00 H ATOM 999 HD21 LEU A 60 -13.274 9.666 -2.239 1.00 0.00 H ATOM 1000 HD22 LEU A 60 -14.496 10.519 -3.213 1.00 0.00 H ATOM 1001 HD23 LEU A 60 -12.776 10.604 -3.668 1.00 0.00 H ATOM 1002 HD11 LEU A 60 -11.781 12.842 -0.796 1.00 0.00 H ATOM 1003 HD12 LEU A 60 -11.656 11.066 -0.778 1.00 0.00 H ATOM 1004 HD13 LEU A 60 -11.174 11.978 -2.230 1.00 0.00 H ATOM 1005 H LEU A 60 -15.794 13.403 -2.127 1.00 0.00 H ATOM 1006 N ASP A 61 -17.319 12.493 0.436 1.00 44.18 N ATOM 1007 CA ASP A 61 -18.012 12.733 1.695 1.00 44.77 C ATOM 1008 C ASP A 61 -19.375 12.050 1.712 1.00 44.57 C ATOM 1009 O ASP A 61 -20.412 12.712 1.621 1.00 44.23 O ATOM 1010 CB ASP A 61 -18.187 14.246 1.907 1.00 43.59 C ATOM 1011 CG ASP A 61 -18.764 14.596 3.256 1.00 45.96 C ATOM 1012 OD1 ASP A 61 -18.631 13.784 4.194 1.00 46.55 O ATOM 1013 OD2 ASP A 61 -19.345 15.706 3.378 1.00 46.18 O ATOM 1014 HA ASP A 61 -17.411 12.314 2.502 1.00 0.00 H ATOM 1015 HB2 ASP A 61 -17.212 14.724 1.813 1.00 0.00 H ATOM 1016 HB3 ASP A 61 -18.854 14.629 1.135 1.00 0.00 H ATOM 1017 H ASP A 61 -17.413 13.206 -0.315 1.00 0.00 H ATOM 1018 N SER A 62 -19.369 10.727 1.860 1.00 44.98 N ATOM 1019 CA SER A 62 -20.607 9.927 1.845 1.00 44.62 C ATOM 1020 C SER A 62 -21.563 10.247 2.966 1.00 45.43 C ATOM 1021 O SER A 62 -22.790 10.151 2.784 1.00 45.51 O ATOM 1022 CB SER A 62 -20.283 8.431 1.888 1.00 44.44 C ATOM 1023 OG SER A 62 -19.382 8.133 0.856 1.00 44.80 O ATOM 1024 HA SER A 62 -21.105 10.192 0.912 1.00 0.00 H ATOM 1025 HB2 SER A 62 -21.198 7.854 1.754 1.00 0.00 H ATOM 1026 HB3 SER A 62 -19.835 8.181 2.850 1.00 0.00 H ATOM 1027 HG SER A 62 -19.167 7.167 0.876 1.00 0.00 H ATOM 1028 H SER A 62 -18.459 10.241 1.991 1.00 0.00 H ATOM 1029 N ASP A 63 -21.038 10.582 4.142 1.00 45.70 N ATOM 1030 CA ASP A 63 -21.967 10.863 5.253 1.00 46.48 C ATOM 1031 C ASP A 63 -22.336 12.348 5.306 1.00 46.11 C ATOM 1032 O ASP A 63 -23.062 12.768 6.173 1.00 46.32 O ATOM 1033 CB ASP A 63 -21.460 10.316 6.609 1.00 46.52 C ATOM 1034 CG ASP A 63 -20.168 10.975 7.084 1.00 47.90 C ATOM 1035 OD1 ASP A 63 -19.829 12.094 6.638 1.00 48.46 O ATOM 1036 OD2 ASP A 63 -19.479 10.368 7.923 1.00 49.40 O ATOM 1037 HA ASP A 63 -22.888 10.316 5.050 1.00 0.00 H ATOM 1038 HB2 ASP A 63 -22.231 10.486 7.360 1.00 0.00 H ATOM 1039 HB3 ASP A 63 -21.284 9.245 6.506 1.00 0.00 H ATOM 1040 H ASP A 63 -20.008 10.644 4.273 1.00 0.00 H ATOM 1041 N GLY A 64 -21.809 13.144 4.377 1.00 45.94 N ATOM 1042 CA GLY A 64 -22.216 14.554 4.257 1.00 45.78 C ATOM 1043 C GLY A 64 -21.893 15.492 5.414 1.00 45.85 C ATOM 1044 O GLY A 64 -22.588 16.493 5.603 1.00 45.59 O ATOM 1045 HA3 GLY A 64 -23.297 14.569 4.119 1.00 0.00 H ATOM 1046 HA2 GLY A 64 -21.732 14.957 3.368 1.00 0.00 H ATOM 1047 H GLY A 64 -21.096 12.762 3.723 1.00 0.00 H ATOM 1048 N ASP A 65 -20.851 15.181 6.187 1.00 45.59 N ATOM 1049 CA ASP A 65 -20.426 16.032 7.315 1.00 45.49 C ATOM 1050 C ASP A 65 -19.332 17.062 6.933 1.00 45.39 C ATOM 1051 O ASP A 65 -18.809 17.781 7.777 1.00 45.84 O ATOM 1052 CB ASP A 65 -19.964 15.165 8.504 1.00 45.35 C ATOM 1053 CG ASP A 65 -18.633 14.446 8.246 1.00 46.42 C ATOM 1054 OD1 ASP A 65 -18.154 14.416 7.102 1.00 47.17 O ATOM 1055 OD2 ASP A 65 -18.045 13.889 9.193 1.00 47.18 O ATOM 1056 HA ASP A 65 -21.302 16.611 7.608 1.00 0.00 H ATOM 1057 HB2 ASP A 65 -19.848 15.807 9.377 1.00 0.00 H ATOM 1058 HB3 ASP A 65 -20.730 14.416 8.705 1.00 0.00 H ATOM 1059 H ASP A 65 -20.320 14.309 5.988 1.00 0.00 H ATOM 1060 N GLY A 66 -18.974 17.128 5.663 1.00 45.18 N ATOM 1061 CA GLY A 66 -18.024 18.145 5.225 1.00 45.14 C ATOM 1062 C GLY A 66 -16.563 17.708 5.170 1.00 45.37 C ATOM 1063 O GLY A 66 -15.732 18.434 4.617 1.00 45.78 O ATOM 1064 HA3 GLY A 66 -18.096 18.988 5.912 1.00 0.00 H ATOM 1065 HA2 GLY A 66 -18.315 18.467 4.225 1.00 0.00 H ATOM 1066 H GLY A 66 -19.369 16.455 4.976 1.00 0.00 H ATOM 1067 N GLU A 67 -16.246 16.535 5.718 1.00 45.28 N ATOM 1068 CA GLU A 67 -14.846 16.064 5.830 1.00 45.34 C ATOM 1069 C GLU A 67 -14.758 14.634 5.371 1.00 45.01 C ATOM 1070 O GLU A 67 -15.786 13.995 5.150 1.00 45.52 O ATOM 1071 CB GLU A 67 -14.348 16.153 7.280 1.00 44.94 C ATOM 1072 CG GLU A 67 -14.473 17.559 7.876 1.00 45.39 C ATOM 1073 CD GLU A 67 -13.473 17.864 8.979 1.00 47.05 C ATOM 1074 OE1 GLU A 67 -12.478 17.126 9.138 1.00 45.88 O ATOM 1075 OE2 GLU A 67 -13.667 18.886 9.667 1.00 48.82 O ATOM 1076 HA GLU A 67 -14.222 16.702 5.204 1.00 0.00 H ATOM 1077 HB2 GLU A 67 -14.933 15.465 7.890 1.00 0.00 H ATOM 1078 HB3 GLU A 67 -13.299 15.858 7.305 1.00 0.00 H ATOM 1079 HG2 GLU A 67 -14.329 18.284 7.075 1.00 0.00 H ATOM 1080 HG3 GLU A 67 -15.477 17.668 8.286 1.00 0.00 H ATOM 1081 H GLU A 67 -17.009 15.928 6.080 1.00 0.00 H ATOM 1082 N CYS A 68 -13.532 14.138 5.231 1.00 45.34 N ATOM 1083 CA CYS A 68 -13.275 12.789 4.754 1.00 45.05 C ATOM 1084 C CYS A 68 -12.762 11.968 5.924 1.00 45.03 C ATOM 1085 O CYS A 68 -11.641 12.199 6.387 1.00 45.31 O ATOM 1086 CB CYS A 68 -12.234 12.807 3.610 1.00 45.24 C ATOM 1087 SG CYS A 68 -11.999 11.141 2.864 1.00 45.71 S ATOM 1088 HA CYS A 68 -14.192 12.351 4.359 1.00 0.00 H ATOM 1089 HB2 CYS A 68 -11.280 13.152 4.008 1.00 0.00 H ATOM 1090 HB3 CYS A 68 -12.574 13.495 2.836 1.00 0.00 H ATOM 1091 HG CYS A 68 -11.559 10.263 3.833 1.00 0.00 H ATOM 1092 H CYS A 68 -12.721 14.742 5.474 1.00 0.00 H ATOM 1093 N ASP A 69 -13.572 11.039 6.428 1.00 44.94 N ATOM 1094 CA ASP A 69 -13.114 10.168 7.538 1.00 44.91 C ATOM 1095 C ASP A 69 -12.322 8.982 7.025 1.00 44.94 C ATOM 1096 O ASP A 69 -12.051 8.899 5.821 1.00 44.96 O ATOM 1097 CB ASP A 69 -14.261 9.736 8.480 1.00 45.27 C ATOM 1098 CG ASP A 69 -15.290 8.841 7.805 1.00 46.21 C ATOM 1099 OD1 ASP A 69 -15.033 8.254 6.713 1.00 46.04 O ATOM 1100 OD2 ASP A 69 -16.375 8.716 8.398 1.00 44.05 O ATOM 1101 HA ASP A 69 -12.441 10.773 8.146 1.00 0.00 H ATOM 1102 HB2 ASP A 69 -13.831 9.195 9.323 1.00 0.00 H ATOM 1103 HB3 ASP A 69 -14.766 10.631 8.844 1.00 0.00 H ATOM 1104 H ASP A 69 -14.531 10.923 6.041 1.00 0.00 H ATOM 1105 N PHE A 70 -11.927 8.076 7.916 1.00 44.14 N ATOM 1106 CA PHE A 70 -11.043 6.992 7.493 1.00 44.42 C ATOM 1107 C PHE A 70 -11.701 6.046 6.469 1.00 44.81 C ATOM 1108 O PHE A 70 -11.078 5.692 5.463 1.00 44.28 O ATOM 1109 CB PHE A 70 -10.454 6.218 8.671 1.00 44.36 C ATOM 1110 CG PHE A 70 -9.459 5.171 8.255 1.00 46.14 C ATOM 1111 CD1 PHE A 70 -8.163 5.529 7.866 1.00 47.79 C ATOM 1112 CD2 PHE A 70 -9.819 3.822 8.212 1.00 47.79 C ATOM 1113 CE1 PHE A 70 -7.237 4.554 7.458 1.00 48.65 C ATOM 1114 CE2 PHE A 70 -8.892 2.845 7.808 1.00 45.55 C ATOM 1115 CZ PHE A 70 -7.605 3.214 7.436 1.00 45.75 C ATOM 1116 HA PHE A 70 -10.212 7.479 6.983 1.00 0.00 H ATOM 1117 HB2 PHE A 70 -9.956 6.924 9.336 1.00 0.00 H ATOM 1118 HB3 PHE A 70 -11.268 5.729 9.206 1.00 0.00 H ATOM 1119 HD2 PHE A 70 -10.829 3.524 8.494 1.00 0.00 H ATOM 1120 HE2 PHE A 70 -9.184 1.795 7.787 1.00 0.00 H ATOM 1121 HZ PHE A 70 -6.886 2.455 7.128 1.00 0.00 H ATOM 1122 HE1 PHE A 70 -6.231 4.848 7.159 1.00 0.00 H ATOM 1123 HD1 PHE A 70 -7.868 6.578 7.880 1.00 0.00 H ATOM 1124 H PHE A 70 -12.245 8.139 8.904 1.00 0.00 H ATOM 1125 N GLN A 71 -12.961 5.685 6.709 1.00 45.10 N ATOM 1126 CA GLN A 71 -13.710 4.841 5.774 1.00 46.17 C ATOM 1127 C GLN A 71 -13.900 5.490 4.428 1.00 46.03 C ATOM 1128 O GLN A 71 -13.827 4.818 3.401 1.00 47.03 O ATOM 1129 CB GLN A 71 -15.084 4.423 6.335 1.00 46.13 C ATOM 1130 CG GLN A 71 -15.047 3.389 7.433 1.00 49.94 C ATOM 1131 CD GLN A 71 -14.031 2.266 7.226 1.00 52.53 C ATOM 1132 OE1 GLN A 71 -14.177 1.395 6.347 1.00 55.12 O ATOM 1133 NE2 GLN A 71 -13.019 2.255 8.076 1.00 52.56 N ATOM 1134 HA GLN A 71 -13.097 3.950 5.643 1.00 0.00 H ATOM 1135 HB2 GLN A 71 -15.572 5.315 6.728 1.00 0.00 H ATOM 1136 HB3 GLN A 71 -15.675 4.020 5.513 1.00 0.00 H ATOM 1137 HG2 GLN A 71 -14.806 3.896 8.368 1.00 0.00 H ATOM 1138 HG3 GLN A 71 -16.037 2.940 7.509 1.00 0.00 H ATOM 1139 HE22 GLN A 71 -12.935 3.002 8.795 1.00 0.00 H ATOM 1140 HE21 GLN A 71 -12.306 1.499 8.026 1.00 0.00 H ATOM 1141 H GLN A 71 -13.424 6.010 7.581 1.00 0.00 H ATOM 1142 N GLU A 72 -14.153 6.794 4.416 1.00 46.87 N ATOM 1143 CA GLU A 72 -14.303 7.513 3.161 1.00 46.24 C ATOM 1144 C GLU A 72 -12.952 7.596 2.434 1.00 45.99 C ATOM 1145 O GLU A 72 -12.888 7.512 1.204 1.00 45.58 O ATOM 1146 CB GLU A 72 -14.935 8.886 3.418 1.00 46.56 C ATOM 1147 CG GLU A 72 -16.406 8.798 3.909 1.00 45.52 C ATOM 1148 CD GLU A 72 -16.895 10.115 4.503 1.00 47.16 C ATOM 1149 OE1 GLU A 72 -16.080 10.926 5.023 1.00 43.33 O ATOM 1150 OE2 GLU A 72 -18.109 10.345 4.449 1.00 45.99 O ATOM 1151 HA GLU A 72 -14.980 6.973 2.499 1.00 0.00 H ATOM 1152 HB2 GLU A 72 -14.346 9.403 4.176 1.00 0.00 H ATOM 1153 HB3 GLU A 72 -14.912 9.458 2.490 1.00 0.00 H ATOM 1154 HG2 GLU A 72 -17.043 8.535 3.064 1.00 0.00 H ATOM 1155 HG3 GLU A 72 -16.476 8.021 4.671 1.00 0.00 H ATOM 1156 H GLU A 72 -14.245 7.307 5.316 1.00 0.00 H ATOM 1157 N PHE A 73 -11.877 7.766 3.196 1.00 45.52 N ATOM 1158 CA PHE A 73 -10.524 7.697 2.622 1.00 45.28 C ATOM 1159 C PHE A 73 -10.264 6.337 1.962 1.00 45.68 C ATOM 1160 O PHE A 73 -9.740 6.273 0.826 1.00 46.14 O ATOM 1161 CB PHE A 73 -9.438 8.013 3.664 1.00 45.06 C ATOM 1162 CG PHE A 73 -8.042 7.941 3.106 1.00 45.22 C ATOM 1163 CD1 PHE A 73 -7.580 8.926 2.211 1.00 45.50 C ATOM 1164 CD2 PHE A 73 -7.181 6.907 3.468 1.00 42.36 C ATOM 1165 CE1 PHE A 73 -6.291 8.865 1.690 1.00 44.39 C ATOM 1166 CE2 PHE A 73 -5.872 6.834 2.947 1.00 44.08 C ATOM 1167 CZ PHE A 73 -5.421 7.820 2.065 1.00 44.46 C ATOM 1168 HA PHE A 73 -10.471 8.465 1.850 1.00 0.00 H ATOM 1169 HB2 PHE A 73 -9.607 9.020 4.047 1.00 0.00 H ATOM 1170 HB3 PHE A 73 -9.522 7.296 4.481 1.00 0.00 H ATOM 1171 HD2 PHE A 73 -7.524 6.142 4.165 1.00 0.00 H ATOM 1172 HE2 PHE A 73 -5.215 6.012 3.231 1.00 0.00 H ATOM 1173 HZ PHE A 73 -4.406 7.782 1.670 1.00 0.00 H ATOM 1174 HE1 PHE A 73 -5.952 9.628 0.989 1.00 0.00 H ATOM 1175 HD1 PHE A 73 -8.239 9.745 1.923 1.00 0.00 H ATOM 1176 H PHE A 73 -11.994 7.951 4.213 1.00 0.00 H ATOM 1177 N MET A 74 -10.608 5.255 2.667 1.00 45.54 N ATOM 1178 CA MET A 74 -10.472 3.886 2.119 1.00 45.45 C ATOM 1179 C MET A 74 -11.245 3.707 0.809 1.00 44.92 C ATOM 1180 O MET A 74 -10.744 3.034 -0.129 1.00 44.87 O ATOM 1181 CB MET A 74 -10.871 2.779 3.138 1.00 46.52 C ATOM 1182 CG MET A 74 -9.821 2.409 4.208 1.00 47.03 C ATOM 1183 SD MET A 74 -8.135 2.207 3.590 1.00 55.82 S ATOM 1184 CE MET A 74 -8.277 0.889 2.373 1.00 54.08 C ATOM 1185 HA MET A 74 -9.409 3.766 1.908 1.00 0.00 H ATOM 1186 HB2 MET A 74 -11.768 3.116 3.658 1.00 0.00 H ATOM 1187 HB3 MET A 74 -11.099 1.876 2.572 1.00 0.00 H ATOM 1188 HG2 MET A 74 -10.126 1.470 4.671 1.00 0.00 H ATOM 1189 HG3 MET A 74 -9.813 3.198 4.960 1.00 0.00 H ATOM 1190 HE1 MET A 74 -8.649 -0.013 2.858 1.00 0.00 H ATOM 1191 HE2 MET A 74 -8.970 1.194 1.589 1.00 0.00 H ATOM 1192 HE3 MET A 74 -7.298 0.691 1.938 1.00 0.00 H ATOM 1193 H MET A 74 -10.982 5.378 3.629 1.00 0.00 H ATOM 1194 N ALA A 75 -12.457 4.272 0.737 1.00 44.62 N ATOM 1195 CA ALA A 75 -13.228 4.259 -0.516 1.00 44.33 C ATOM 1196 C ALA A 75 -12.526 5.067 -1.601 1.00 44.33 C ATOM 1197 O ALA A 75 -12.511 4.652 -2.754 1.00 45.37 O ATOM 1198 CB ALA A 75 -14.604 4.772 -0.297 1.00 44.84 C ATOM 1199 HA ALA A 75 -13.296 3.224 -0.852 1.00 0.00 H ATOM 1200 HB1 ALA A 75 -15.112 4.144 0.434 1.00 0.00 H ATOM 1201 HB2 ALA A 75 -14.554 5.796 0.074 1.00 0.00 H ATOM 1202 HB3 ALA A 75 -15.152 4.752 -1.239 1.00 0.00 H ATOM 1203 H ALA A 75 -12.860 4.727 1.581 1.00 0.00 H ATOM 1204 N PHE A 76 -11.920 6.208 -1.244 1.00 44.03 N ATOM 1205 CA PHE A 76 -11.130 7.015 -2.190 1.00 45.23 C ATOM 1206 C PHE A 76 -9.956 6.201 -2.751 1.00 44.57 C ATOM 1207 O PHE A 76 -9.767 6.102 -3.984 1.00 46.75 O ATOM 1208 CB PHE A 76 -10.646 8.276 -1.469 1.00 44.99 C ATOM 1209 CG PHE A 76 -9.803 9.209 -2.290 1.00 46.38 C ATOM 1210 CD1 PHE A 76 -10.157 9.580 -3.588 1.00 47.06 C ATOM 1211 CD2 PHE A 76 -8.681 9.802 -1.714 1.00 45.71 C ATOM 1212 CE1 PHE A 76 -9.360 10.495 -4.324 1.00 45.67 C ATOM 1213 CE2 PHE A 76 -7.872 10.729 -2.442 1.00 44.62 C ATOM 1214 CZ PHE A 76 -8.219 11.064 -3.745 1.00 45.20 C ATOM 1215 HA PHE A 76 -11.749 7.304 -3.039 1.00 0.00 H ATOM 1216 HB2 PHE A 76 -11.523 8.827 -1.130 1.00 0.00 H ATOM 1217 HB3 PHE A 76 -10.058 7.964 -0.606 1.00 0.00 H ATOM 1218 HD2 PHE A 76 -8.415 9.554 -0.687 1.00 0.00 H ATOM 1219 HE2 PHE A 76 -6.989 11.170 -1.978 1.00 0.00 H ATOM 1220 HZ PHE A 76 -7.607 11.765 -4.313 1.00 0.00 H ATOM 1221 HE1 PHE A 76 -9.637 10.756 -5.345 1.00 0.00 H ATOM 1222 HD1 PHE A 76 -11.056 9.162 -4.042 1.00 0.00 H ATOM 1223 H PHE A 76 -12.011 6.536 -0.261 1.00 0.00 H ATOM 1224 N VAL A 77 -9.191 5.565 -1.869 1.00 44.15 N ATOM 1225 CA VAL A 77 -8.117 4.674 -2.296 1.00 43.31 C ATOM 1226 C VAL A 77 -8.650 3.592 -3.242 1.00 44.54 C ATOM 1227 O VAL A 77 -7.996 3.300 -4.255 1.00 44.73 O ATOM 1228 CB VAL A 77 -7.317 4.112 -1.097 1.00 43.81 C ATOM 1229 CG1 VAL A 77 -6.345 3.040 -1.522 1.00 43.10 C ATOM 1230 CG2 VAL A 77 -6.559 5.257 -0.400 1.00 41.49 C ATOM 1231 HA VAL A 77 -7.396 5.257 -2.869 1.00 0.00 H ATOM 1232 HB VAL A 77 -8.027 3.658 -0.405 1.00 0.00 H ATOM 1233 HG11 VAL A 77 -6.892 2.218 -1.984 1.00 0.00 H ATOM 1234 HG12 VAL A 77 -5.638 3.456 -2.240 1.00 0.00 H ATOM 1235 HG13 VAL A 77 -5.805 2.674 -0.649 1.00 0.00 H ATOM 1236 HG21 VAL A 77 -5.873 5.721 -1.109 1.00 0.00 H ATOM 1237 HG22 VAL A 77 -7.273 6.000 -0.044 1.00 0.00 H ATOM 1238 HG23 VAL A 77 -5.997 4.858 0.444 1.00 0.00 H ATOM 1239 H VAL A 77 -9.362 5.706 -0.853 1.00 0.00 H ATOM 1240 N ALA A 78 -9.809 2.988 -2.934 1.00 43.68 N ATOM 1241 CA ALA A 78 -10.341 1.939 -3.816 1.00 44.65 C ATOM 1242 C ALA A 78 -10.647 2.511 -5.213 1.00 44.10 C ATOM 1243 O ALA A 78 -10.367 1.858 -6.199 1.00 44.55 O ATOM 1244 CB ALA A 78 -11.599 1.285 -3.242 1.00 44.60 C ATOM 1245 HA ALA A 78 -9.571 1.171 -3.896 1.00 0.00 H ATOM 1246 HB1 ALA A 78 -11.364 0.832 -2.279 1.00 0.00 H ATOM 1247 HB2 ALA A 78 -12.372 2.042 -3.110 1.00 0.00 H ATOM 1248 HB3 ALA A 78 -11.954 0.517 -3.930 1.00 0.00 H ATOM 1249 H ALA A 78 -10.328 3.261 -2.075 1.00 0.00 H ATOM 1250 N MET A 79 -11.229 3.707 -5.270 1.00 44.33 N ATOM 1251 CA MET A 79 -11.525 4.361 -6.546 1.00 44.67 C ATOM 1252 C MET A 79 -10.247 4.505 -7.374 1.00 43.95 C ATOM 1253 O MET A 79 -10.197 4.178 -8.563 1.00 42.65 O ATOM 1254 CB MET A 79 -12.124 5.742 -6.318 1.00 44.55 C ATOM 1255 CG MET A 79 -13.473 5.779 -5.597 1.00 45.55 C ATOM 1256 SD MET A 79 -13.931 7.503 -5.201 1.00 47.54 S ATOM 1257 CE MET A 79 -14.815 7.337 -3.638 1.00 46.42 C ATOM 1258 HA MET A 79 -12.244 3.742 -7.082 1.00 0.00 H ATOM 1259 HB2 MET A 79 -11.414 6.320 -5.727 1.00 0.00 H ATOM 1260 HB3 MET A 79 -12.253 6.214 -7.292 1.00 0.00 H ATOM 1261 HG2 MET A 79 -13.404 5.204 -4.674 1.00 0.00 H ATOM 1262 HG3 MET A 79 -14.237 5.342 -6.240 1.00 0.00 H ATOM 1263 HE1 MET A 79 -15.683 6.694 -3.780 1.00 0.00 H ATOM 1264 HE2 MET A 79 -14.153 6.897 -2.893 1.00 0.00 H ATOM 1265 HE3 MET A 79 -15.141 8.321 -3.300 1.00 0.00 H ATOM 1266 H MET A 79 -11.480 4.190 -4.384 1.00 0.00 H ATOM 1267 N ILE A 80 -9.209 5.012 -6.729 1.00 43.81 N ATOM 1268 CA ILE A 80 -7.961 5.299 -7.405 1.00 44.12 C ATOM 1269 C ILE A 80 -7.346 3.996 -7.909 1.00 44.64 C ATOM 1270 O ILE A 80 -6.834 3.916 -9.052 1.00 43.70 O ATOM 1271 CB ILE A 80 -6.961 5.956 -6.444 1.00 44.07 C ATOM 1272 CG1 ILE A 80 -7.506 7.305 -5.980 1.00 46.56 C ATOM 1273 CG2 ILE A 80 -5.575 6.110 -7.139 1.00 42.21 C ATOM 1274 CD1 ILE A 80 -6.575 8.057 -5.075 1.00 47.35 C ATOM 1275 HA ILE A 80 -8.170 5.976 -8.233 1.00 0.00 H ATOM 1276 HB ILE A 80 -6.825 5.323 -5.567 1.00 0.00 H ATOM 1277 HG12 ILE A 80 -7.700 7.918 -6.860 1.00 0.00 H ATOM 1278 HG13 ILE A 80 -8.440 7.133 -5.446 1.00 0.00 H ATOM 1279 HD11 ILE A 80 -6.379 7.463 -4.182 1.00 0.00 H ATOM 1280 HD12 ILE A 80 -5.638 8.249 -5.598 1.00 0.00 H ATOM 1281 HD13 ILE A 80 -7.034 9.004 -4.789 1.00 0.00 H ATOM 1282 HG21 ILE A 80 -5.203 5.127 -7.427 1.00 0.00 H ATOM 1283 HG22 ILE A 80 -5.682 6.733 -8.027 1.00 0.00 H ATOM 1284 HG23 ILE A 80 -4.873 6.577 -6.448 1.00 0.00 H ATOM 1285 H ILE A 80 -9.291 5.209 -5.711 1.00 0.00 H ATOM 1286 N THR A 81 -7.349 2.999 -7.027 1.00 44.48 N ATOM 1287 CA THR A 81 -6.774 1.684 -7.336 1.00 45.04 C ATOM 1288 C THR A 81 -7.530 0.995 -8.487 1.00 45.59 C ATOM 1289 O THR A 81 -6.914 0.393 -9.381 1.00 45.66 O ATOM 1290 CB THR A 81 -6.746 0.813 -6.082 1.00 44.42 C ATOM 1291 OG1 THR A 81 -6.144 1.568 -5.009 1.00 44.84 O ATOM 1292 CG2 THR A 81 -5.915 -0.437 -6.318 1.00 43.69 C ATOM 1293 HA THR A 81 -5.748 1.829 -7.673 1.00 0.00 H ATOM 1294 HB THR A 81 -7.766 0.521 -5.831 1.00 0.00 H ATOM 1295 HG1 THR A 81 -6.679 2.384 -4.841 1.00 0.00 H ATOM 1296 HG23 THR A 81 -6.358 -1.019 -7.127 1.00 0.00 H ATOM 1297 HG21 THR A 81 -4.899 -0.150 -6.589 1.00 0.00 H ATOM 1298 HG22 THR A 81 -5.895 -1.036 -5.407 1.00 0.00 H ATOM 1299 H THR A 81 -7.772 3.156 -6.090 1.00 0.00 H ATOM 1300 N THR A 82 -8.851 1.100 -8.466 1.00 46.11 N ATOM 1301 CA THR A 82 -9.683 0.502 -9.534 1.00 46.32 C ATOM 1302 C THR A 82 -9.443 1.229 -10.866 1.00 46.58 C ATOM 1303 O THR A 82 -9.374 0.598 -11.907 1.00 46.76 O ATOM 1304 CB THR A 82 -11.159 0.543 -9.188 1.00 46.05 C ATOM 1305 OG1 THR A 82 -11.347 -0.080 -7.915 1.00 45.55 O ATOM 1306 CG2 THR A 82 -11.974 -0.212 -10.239 1.00 46.90 C ATOM 1307 HA THR A 82 -9.388 -0.543 -9.630 1.00 0.00 H ATOM 1308 HB THR A 82 -11.494 1.580 -9.161 1.00 0.00 H ATOM 1309 HG1 THR A 82 -10.826 0.409 -7.230 1.00 0.00 H ATOM 1310 HG23 THR A 82 -11.835 0.259 -11.212 1.00 0.00 H ATOM 1311 HG21 THR A 82 -11.637 -1.248 -10.283 1.00 0.00 H ATOM 1312 HG22 THR A 82 -13.029 -0.183 -9.968 1.00 0.00 H ATOM 1313 H THR A 82 -9.311 1.611 -7.686 1.00 0.00 H ATOM 1314 N ALA A 83 -9.291 2.549 -10.821 1.00 46.87 N ATOM 1315 CA ALA A 83 -9.013 3.310 -12.045 1.00 47.12 C ATOM 1316 C ALA A 83 -7.648 2.935 -12.668 1.00 47.65 C ATOM 1317 O ALA A 83 -7.533 2.776 -13.901 1.00 47.64 O ATOM 1318 CB ALA A 83 -9.107 4.796 -11.775 1.00 46.86 C ATOM 1319 HA ALA A 83 -9.773 3.044 -12.779 1.00 0.00 H ATOM 1320 HB1 ALA A 83 -10.111 5.038 -11.426 1.00 0.00 H ATOM 1321 HB2 ALA A 83 -8.380 5.072 -11.012 1.00 0.00 H ATOM 1322 HB3 ALA A 83 -8.898 5.345 -12.693 1.00 0.00 H ATOM 1323 H ALA A 83 -9.370 3.046 -9.911 1.00 0.00 H ATOM 1324 N CYS A 84 -6.622 2.802 -11.831 1.00 47.53 N ATOM 1325 CA CYS A 84 -5.285 2.446 -12.328 1.00 47.86 C ATOM 1326 C CYS A 84 -5.278 1.016 -12.895 1.00 47.82 C ATOM 1327 O CYS A 84 -4.703 0.733 -13.967 1.00 47.73 O ATOM 1328 CB CYS A 84 -4.243 2.633 -11.242 1.00 47.20 C ATOM 1329 SG CYS A 84 -2.604 2.095 -11.729 1.00 49.69 S ATOM 1330 HA CYS A 84 -5.025 3.119 -13.145 1.00 0.00 H ATOM 1331 HB2 CYS A 84 -4.549 2.060 -10.367 1.00 0.00 H ATOM 1332 HB3 CYS A 84 -4.198 3.691 -10.985 1.00 0.00 H ATOM 1333 HG CYS A 84 -1.725 2.301 -10.685 1.00 0.00 H ATOM 1334 H CYS A 84 -6.768 2.952 -10.812 1.00 0.00 H ATOM 1335 N HIS A 85 -5.937 0.130 -12.159 1.00 47.65 N ATOM 1336 CA HIS A 85 -6.166 -1.236 -12.560 1.00 47.73 C ATOM 1337 C HIS A 85 -6.812 -1.307 -13.958 1.00 47.37 C ATOM 1338 O HIS A 85 -6.318 -2.008 -14.853 1.00 47.46 O ATOM 1339 CB HIS A 85 -7.045 -1.866 -11.478 1.00 47.83 C ATOM 1340 CG HIS A 85 -7.512 -3.246 -11.788 1.00 49.32 C ATOM 1341 ND1 HIS A 85 -8.808 -3.647 -11.560 1.00 51.10 N ATOM 1342 CD2 HIS A 85 -6.862 -4.324 -12.283 1.00 51.12 C ATOM 1343 CE1 HIS A 85 -8.939 -4.917 -11.904 1.00 52.92 C ATOM 1344 NE2 HIS A 85 -7.773 -5.351 -12.347 1.00 52.84 N ATOM 1345 HA HIS A 85 -5.229 -1.786 -12.648 1.00 0.00 H ATOM 1346 HB2 HIS A 85 -6.473 -1.900 -10.551 1.00 0.00 H ATOM 1347 HB3 HIS A 85 -7.921 -1.233 -11.339 1.00 0.00 H ATOM 1348 HD2 HIS A 85 -5.813 -4.370 -12.576 1.00 0.00 H ATOM 1349 HE1 HIS A 85 -9.854 -5.506 -11.834 1.00 0.00 H ATOM 1350 H HIS A 85 -6.310 0.439 -11.239 1.00 0.00 H ATOM 1351 N GLU A 86 -7.889 -0.548 -14.153 1.00 46.73 N ATOM 1352 CA GLU A 86 -8.639 -0.584 -15.401 1.00 46.85 C ATOM 1353 C GLU A 86 -7.888 0.088 -16.563 1.00 45.98 C ATOM 1354 O GLU A 86 -8.046 -0.309 -17.708 1.00 45.31 O ATOM 1355 CB GLU A 86 -10.027 0.026 -15.201 1.00 46.91 C ATOM 1356 CG GLU A 86 -10.970 -0.894 -14.414 1.00 47.59 C ATOM 1357 CD GLU A 86 -12.313 -0.254 -14.041 1.00 48.90 C ATOM 1358 OE1 GLU A 86 -12.629 0.891 -14.457 1.00 50.06 O ATOM 1359 OE2 GLU A 86 -13.072 -0.928 -13.315 1.00 54.43 O ATOM 1360 HA GLU A 86 -8.755 -1.630 -15.683 1.00 0.00 H ATOM 1361 HB2 GLU A 86 -9.921 0.965 -14.657 1.00 0.00 H ATOM 1362 HB3 GLU A 86 -10.466 0.222 -16.179 1.00 0.00 H ATOM 1363 HG2 GLU A 86 -11.170 -1.777 -15.020 1.00 0.00 H ATOM 1364 HG3 GLU A 86 -10.467 -1.192 -13.494 1.00 0.00 H ATOM 1365 H GLU A 86 -8.203 0.088 -13.393 1.00 0.00 H ATOM 1366 N PHE A 87 -7.080 1.106 -16.270 1.00 45.46 N ATOM 1367 CA PHE A 87 -6.241 1.751 -17.297 1.00 45.59 C ATOM 1368 C PHE A 87 -5.347 0.738 -18.023 1.00 46.20 C ATOM 1369 O PHE A 87 -5.303 0.715 -19.247 1.00 45.66 O ATOM 1370 CB PHE A 87 -5.355 2.826 -16.654 1.00 45.30 C ATOM 1371 CG PHE A 87 -4.688 3.744 -17.641 1.00 45.23 C ATOM 1372 CD1 PHE A 87 -5.326 4.911 -18.068 1.00 43.98 C ATOM 1373 CD2 PHE A 87 -3.419 3.453 -18.132 1.00 43.95 C ATOM 1374 CE1 PHE A 87 -4.711 5.771 -18.967 1.00 44.29 C ATOM 1375 CE2 PHE A 87 -2.784 4.312 -19.027 1.00 43.94 C ATOM 1376 CZ PHE A 87 -3.432 5.473 -19.446 1.00 44.46 C ATOM 1377 HA PHE A 87 -6.913 2.202 -18.027 1.00 0.00 H ATOM 1378 HB2 PHE A 87 -5.975 3.429 -15.990 1.00 0.00 H ATOM 1379 HB3 PHE A 87 -4.580 2.328 -16.072 1.00 0.00 H ATOM 1380 HD2 PHE A 87 -2.915 2.541 -17.812 1.00 0.00 H ATOM 1381 HE2 PHE A 87 -1.786 4.077 -19.397 1.00 0.00 H ATOM 1382 HZ PHE A 87 -2.941 6.148 -20.147 1.00 0.00 H ATOM 1383 HE1 PHE A 87 -5.223 6.675 -19.298 1.00 0.00 H ATOM 1384 HD1 PHE A 87 -6.320 5.149 -17.690 1.00 0.00 H ATOM 1385 H PHE A 87 -7.040 1.455 -15.291 1.00 0.00 H ATOM 1386 N PHE A 88 -4.633 -0.080 -17.248 1.00 47.77 N ATOM 1387 CA PHE A 88 -3.619 -1.007 -17.770 1.00 49.46 C ATOM 1388 C PHE A 88 -4.115 -2.434 -17.876 1.00 51.20 C ATOM 1389 O PHE A 88 -3.753 -3.141 -18.816 1.00 51.19 O ATOM 1390 CB PHE A 88 -2.368 -0.994 -16.892 1.00 49.23 C ATOM 1391 CG PHE A 88 -1.744 0.353 -16.756 1.00 48.95 C ATOM 1392 CD1 PHE A 88 -0.789 0.779 -17.663 1.00 48.70 C ATOM 1393 CD2 PHE A 88 -2.106 1.194 -15.720 1.00 49.17 C ATOM 1394 CE1 PHE A 88 -0.206 2.038 -17.542 1.00 49.45 C ATOM 1395 CE2 PHE A 88 -1.532 2.459 -15.587 1.00 49.86 C ATOM 1396 CZ PHE A 88 -0.571 2.881 -16.498 1.00 49.29 C ATOM 1397 HA PHE A 88 -3.387 -0.653 -18.774 1.00 0.00 H ATOM 1398 HB2 PHE A 88 -2.641 -1.349 -15.898 1.00 0.00 H ATOM 1399 HB3 PHE A 88 -1.634 -1.671 -17.329 1.00 0.00 H ATOM 1400 HD2 PHE A 88 -2.851 0.864 -14.996 1.00 0.00 H ATOM 1401 HE2 PHE A 88 -1.837 3.114 -14.771 1.00 0.00 H ATOM 1402 HZ PHE A 88 -0.108 3.863 -16.395 1.00 0.00 H ATOM 1403 HE1 PHE A 88 0.539 2.364 -18.268 1.00 0.00 H ATOM 1404 HD1 PHE A 88 -0.490 0.122 -18.480 1.00 0.00 H ATOM 1405 H PHE A 88 -4.803 -0.061 -16.222 1.00 0.00 H ATOM 1406 N GLU A 89 -4.926 -2.844 -16.895 1.00 53.48 N ATOM 1407 CA GLU A 89 -5.476 -4.228 -16.754 1.00 55.23 C ATOM 1408 C GLU A 89 -4.684 -5.354 -17.432 1.00 56.44 C ATOM 1409 O GLU A 89 -4.349 -6.363 -16.787 1.00 58.10 O ATOM 1410 CB GLU A 89 -6.960 -4.283 -17.168 1.00 55.47 C ATOM 1411 CG GLU A 89 -7.254 -3.684 -18.516 1.00 55.07 C ATOM 1412 CD GLU A 89 -8.569 -2.894 -18.555 1.00 58.94 C ATOM 1413 OE1 GLU A 89 -9.480 -3.168 -17.713 1.00 59.54 O ATOM 1414 OE2 GLU A 89 -8.683 -1.975 -19.418 1.00 52.22 O ATOM 1415 HA GLU A 89 -5.372 -4.434 -15.689 1.00 0.00 H ATOM 1416 HB2 GLU A 89 -7.271 -5.328 -17.184 1.00 0.00 H ATOM 1417 HB3 GLU A 89 -7.542 -3.744 -16.421 1.00 0.00 H ATOM 1418 HG2 GLU A 89 -6.438 -3.012 -18.782 1.00 0.00 H ATOM 1419 HG3 GLU A 89 -7.312 -4.490 -19.248 1.00 0.00 H ATOM 1420 H GLU A 89 -5.196 -2.146 -16.173 1.00 0.00 H TER 1421 GLU A 89 ATOM 1422 N MET X 0 7.725 8.140 -6.860 1.00 52.20 N ATOM 1423 CA MET X 0 6.481 7.498 -6.345 1.00 51.28 C ATOM 1424 C MET X 0 6.496 7.531 -4.820 1.00 50.23 C ATOM 1425 O MET X 0 7.415 6.978 -4.200 1.00 51.02 O ATOM 1426 CB MET X 0 6.459 6.061 -6.812 1.00 52.52 C ATOM 1427 CG MET X 0 5.117 5.463 -7.077 1.00 52.25 C ATOM 1428 SD MET X 0 5.448 3.710 -7.265 1.00 52.21 S ATOM 1429 CE MET X 0 3.802 3.091 -7.376 1.00 53.18 C ATOM 1430 HA MET X 0 5.601 8.027 -6.711 1.00 0.00 H ATOM 1431 HB2 MET X 0 7.034 6.005 -7.736 1.00 0.00 H ATOM 1432 HB3 MET X 0 6.945 5.457 -6.046 1.00 0.00 H ATOM 1433 HG2 MET X 0 4.683 5.875 -7.988 1.00 0.00 H ATOM 1434 HG3 MET X 0 4.441 5.642 -6.241 1.00 0.00 H ATOM 1435 HE1 MET X 0 3.258 3.343 -6.465 1.00 0.00 H ATOM 1436 HE2 MET X 0 3.303 3.541 -8.234 1.00 0.00 H ATOM 1437 HE3 MET X 0 3.830 2.008 -7.497 1.00 0.00 H ATOM 1438 HN3 MET X 0 8.554 7.620 -6.507 1.00 0.00 H ATOM 1439 HN2 MET X 0 7.766 9.126 -6.531 1.00 0.00 H ATOM 1440 HN1 MET X 0 7.719 8.120 -7.900 1.00 0.00 H ATOM 1441 N SER X 1 5.475 8.163 -4.228 1.00 48.04 N ATOM 1442 CA SER X 1 5.312 8.278 -2.784 1.00 45.59 C ATOM 1443 C SER X 1 4.937 6.921 -2.181 1.00 45.36 C ATOM 1444 O SER X 1 4.575 5.990 -2.905 1.00 43.87 O ATOM 1445 CB SER X 1 4.183 9.264 -2.492 1.00 45.46 C ATOM 1446 OG SER X 1 2.899 8.699 -2.816 1.00 45.78 O ATOM 1447 HA SER X 1 6.250 8.621 -2.348 1.00 0.00 H ATOM 1448 HB2 SER X 1 4.335 10.165 -3.086 1.00 0.00 H ATOM 1449 HB3 SER X 1 4.201 9.522 -1.433 1.00 0.00 H ATOM 1450 HG SER X 1 2.189 9.360 -2.617 1.00 0.00 H ATOM 1451 H SER X 1 4.753 8.599 -4.836 1.00 0.00 H ATOM 1452 N GLU X 2 4.990 6.817 -0.856 1.00 44.91 N ATOM 1453 CA GLU X 2 4.485 5.628 -0.148 1.00 45.54 C ATOM 1454 C GLU X 2 3.047 5.229 -0.468 1.00 45.18 C ATOM 1455 O GLU X 2 2.777 4.041 -0.597 1.00 45.28 O ATOM 1456 CB GLU X 2 4.637 5.789 1.373 1.00 45.77 C ATOM 1457 CG GLU X 2 6.072 6.010 1.845 1.00 48.17 C ATOM 1458 CD GLU X 2 6.978 4.806 1.613 1.00 52.06 C ATOM 1459 OE1 GLU X 2 6.530 3.657 1.813 1.00 53.57 O ATOM 1460 OE2 GLU X 2 8.157 5.010 1.242 1.00 55.27 O ATOM 1461 HA GLU X 2 5.109 4.816 -0.521 1.00 0.00 H ATOM 1462 HB2 GLU X 2 4.039 6.645 1.687 1.00 0.00 H ATOM 1463 HB3 GLU X 2 4.256 4.887 1.851 1.00 0.00 H ATOM 1464 HG2 GLU X 2 6.486 6.863 1.307 1.00 0.00 H ATOM 1465 HG3 GLU X 2 6.055 6.229 2.913 1.00 0.00 H ATOM 1466 H GLU X 2 5.400 7.597 -0.304 1.00 0.00 H ATOM 1467 N LEU X 3 2.121 6.196 -0.586 1.00 45.43 N ATOM 1468 CA LEU X 3 0.733 5.905 -0.930 1.00 46.27 C ATOM 1469 C LEU X 3 0.665 5.325 -2.338 1.00 46.77 C ATOM 1470 O LEU X 3 -0.086 4.362 -2.615 1.00 47.20 O ATOM 1471 CB LEU X 3 -0.136 7.173 -0.924 1.00 45.62 C ATOM 1472 CG LEU X 3 -1.639 7.145 -0.569 1.00 47.57 C ATOM 1473 CD1 LEU X 3 -2.380 8.381 -1.075 1.00 45.23 C ATOM 1474 CD2 LEU X 3 -2.440 5.859 -0.785 1.00 46.43 C ATOM 1475 HA LEU X 3 0.361 5.203 -0.184 1.00 0.00 H ATOM 1476 HB2 LEU X 3 0.330 7.857 -0.215 1.00 0.00 H ATOM 1477 HB3 LEU X 3 -0.069 7.591 -1.928 1.00 0.00 H ATOM 1478 HG LEU X 3 -1.584 7.165 0.519 1.00 0.00 H ATOM 1479 HD21 LEU X 3 -2.407 5.585 -1.839 1.00 0.00 H ATOM 1480 HD22 LEU X 3 -2.007 5.058 -0.186 1.00 0.00 H ATOM 1481 HD23 LEU X 3 -3.475 6.022 -0.483 1.00 0.00 H ATOM 1482 HD11 LEU X 3 -1.944 9.274 -0.626 1.00 0.00 H ATOM 1483 HD12 LEU X 3 -2.291 8.438 -2.160 1.00 0.00 H ATOM 1484 HD13 LEU X 3 -3.432 8.311 -0.799 1.00 0.00 H ATOM 1485 H LEU X 3 2.403 7.184 -0.427 1.00 0.00 H ATOM 1486 N GLU X 4 1.410 5.926 -3.251 1.00 47.01 N ATOM 1487 CA GLU X 4 1.395 5.422 -4.622 1.00 46.60 C ATOM 1488 C GLU X 4 1.941 4.003 -4.685 1.00 45.79 C ATOM 1489 O GLU X 4 1.366 3.128 -5.331 1.00 45.79 O ATOM 1490 CB GLU X 4 2.081 6.375 -5.599 1.00 46.81 C ATOM 1491 CG GLU X 4 1.222 7.632 -5.864 1.00 45.95 C ATOM 1492 CD GLU X 4 2.005 8.781 -6.468 1.00 46.33 C ATOM 1493 OE1 GLU X 4 3.201 8.906 -6.166 1.00 48.00 O ATOM 1494 OE2 GLU X 4 1.424 9.576 -7.228 1.00 42.76 O ATOM 1495 HA GLU X 4 0.356 5.376 -4.949 1.00 0.00 H ATOM 1496 HB2 GLU X 4 3.039 6.683 -5.180 1.00 0.00 H ATOM 1497 HB3 GLU X 4 2.248 5.855 -6.542 1.00 0.00 H ATOM 1498 HG2 GLU X 4 0.418 7.363 -6.550 1.00 0.00 H ATOM 1499 HG3 GLU X 4 0.795 7.964 -4.918 1.00 0.00 H ATOM 1500 H GLU X 4 1.998 6.745 -2.996 1.00 0.00 H ATOM 1501 N LYS X 5 3.015 3.750 -3.956 1.00 45.47 N ATOM 1502 CA LYS X 5 3.509 2.392 -3.834 1.00 44.23 C ATOM 1503 C LYS X 5 2.445 1.447 -3.319 1.00 44.43 C ATOM 1504 O LYS X 5 2.377 0.271 -3.751 1.00 44.13 O ATOM 1505 CB LYS X 5 4.746 2.371 -2.946 1.00 45.00 C ATOM 1506 CG LYS X 5 5.961 2.941 -3.673 1.00 44.05 C ATOM 1507 CD LYS X 5 7.253 2.649 -2.953 1.00 45.27 C ATOM 1508 CE LYS X 5 7.496 3.630 -1.819 1.00 48.29 C ATOM 1509 NZ LYS X 5 8.944 3.838 -1.538 1.00 49.60 N ATOM 1510 HA LYS X 5 3.783 2.039 -4.828 1.00 0.00 H ATOM 1511 HB2 LYS X 5 4.553 2.968 -2.054 1.00 0.00 H ATOM 1512 HB3 LYS X 5 4.957 1.342 -2.655 1.00 0.00 H ATOM 1513 HG2 LYS X 5 6.009 2.503 -4.670 1.00 0.00 H ATOM 1514 HG3 LYS X 5 5.844 4.021 -3.757 1.00 0.00 H ATOM 1515 HD2 LYS X 5 7.210 1.639 -2.544 1.00 0.00 H ATOM 1516 HD3 LYS X 5 8.077 2.718 -3.663 1.00 0.00 H ATOM 1517 HE2 LYS X 5 7.017 3.247 -0.918 1.00 0.00 H ATOM 1518 HE3 LYS X 5 7.051 4.589 -2.086 1.00 0.00 H ATOM 1519 HZ1 LYS X 5 9.378 2.931 -1.273 1.00 0.00 H ATOM 1520 HZ2 LYS X 5 9.411 4.212 -2.389 1.00 0.00 H ATOM 1521 HZ3 LYS X 5 9.050 4.516 -0.756 1.00 0.00 H ATOM 1522 H LYS X 5 3.506 4.527 -3.469 1.00 0.00 H ATOM 1523 N ALA X 6 1.642 1.928 -2.364 1.00 43.02 N ATOM 1524 CA ALA X 6 0.632 1.071 -1.719 1.00 42.94 C ATOM 1525 C ALA X 6 -0.431 0.739 -2.763 1.00 42.81 C ATOM 1526 O ALA X 6 -0.820 -0.410 -2.883 1.00 44.59 O ATOM 1527 CB ALA X 6 0.030 1.763 -0.520 1.00 42.24 C ATOM 1528 HA ALA X 6 1.090 0.152 -1.353 1.00 0.00 H ATOM 1529 HB1 ALA X 6 0.816 1.986 0.202 1.00 0.00 H ATOM 1530 HB2 ALA X 6 -0.446 2.690 -0.838 1.00 0.00 H ATOM 1531 HB3 ALA X 6 -0.713 1.111 -0.061 1.00 0.00 H ATOM 1532 H ALA X 6 1.732 2.922 -2.072 1.00 0.00 H ATOM 1533 N VAL X 7 -0.869 1.732 -3.537 1.00 43.64 N ATOM 1534 CA VAL X 7 -1.804 1.506 -4.660 1.00 43.24 C ATOM 1535 C VAL X 7 -1.285 0.432 -5.639 1.00 44.51 C ATOM 1536 O VAL X 7 -2.005 -0.509 -5.982 1.00 44.13 O ATOM 1537 CB VAL X 7 -2.131 2.797 -5.404 1.00 42.46 C ATOM 1538 CG1 VAL X 7 -2.899 2.487 -6.658 1.00 43.26 C ATOM 1539 CG2 VAL X 7 -2.917 3.767 -4.506 1.00 41.62 C ATOM 1540 HA VAL X 7 -2.728 1.135 -4.216 1.00 0.00 H ATOM 1541 HB VAL X 7 -1.196 3.285 -5.679 1.00 0.00 H ATOM 1542 HG11 VAL X 7 -2.298 1.844 -7.301 1.00 0.00 H ATOM 1543 HG12 VAL X 7 -3.827 1.977 -6.398 1.00 0.00 H ATOM 1544 HG13 VAL X 7 -3.127 3.415 -7.182 1.00 0.00 H ATOM 1545 HG21 VAL X 7 -3.850 3.297 -4.194 1.00 0.00 H ATOM 1546 HG22 VAL X 7 -2.320 4.011 -3.627 1.00 0.00 H ATOM 1547 HG23 VAL X 7 -3.136 4.678 -5.062 1.00 0.00 H ATOM 1548 H VAL X 7 -0.541 2.700 -3.344 1.00 0.00 H ATOM 1549 N VAL X 8 -0.035 0.573 -6.073 1.00 43.66 N ATOM 1550 CA VAL X 8 0.594 -0.407 -6.975 1.00 43.78 C ATOM 1551 C VAL X 8 0.698 -1.804 -6.402 1.00 44.06 C ATOM 1552 O VAL X 8 0.438 -2.785 -7.107 1.00 44.96 O ATOM 1553 CB VAL X 8 1.961 0.113 -7.467 1.00 43.55 C ATOM 1554 CG1 VAL X 8 2.752 -0.966 -8.157 1.00 43.70 C ATOM 1555 CG2 VAL X 8 1.726 1.323 -8.406 1.00 42.37 C ATOM 1556 HA VAL X 8 -0.076 -0.508 -7.829 1.00 0.00 H ATOM 1557 HB VAL X 8 2.552 0.428 -6.607 1.00 0.00 H ATOM 1558 HG11 VAL X 8 2.927 -1.787 -7.462 1.00 0.00 H ATOM 1559 HG12 VAL X 8 2.193 -1.330 -9.019 1.00 0.00 H ATOM 1560 HG13 VAL X 8 3.707 -0.559 -8.488 1.00 0.00 H ATOM 1561 HG21 VAL X 8 1.121 1.009 -9.257 1.00 0.00 H ATOM 1562 HG22 VAL X 8 1.206 2.110 -7.860 1.00 0.00 H ATOM 1563 HG23 VAL X 8 2.686 1.699 -8.760 1.00 0.00 H ATOM 1564 H VAL X 8 0.515 1.401 -5.766 1.00 0.00 H ATOM 1565 N ALA X 9 1.073 -1.894 -5.132 1.00 43.30 N ATOM 1566 CA ALA X 9 1.159 -3.164 -4.433 1.00 44.03 C ATOM 1567 C ALA X 9 -0.205 -3.865 -4.396 1.00 44.53 C ATOM 1568 O ALA X 9 -0.276 -5.080 -4.609 1.00 42.85 O ATOM 1569 CB ALA X 9 1.720 -2.969 -3.020 1.00 42.89 C ATOM 1570 HA ALA X 9 1.847 -3.807 -4.982 1.00 0.00 H ATOM 1571 HB1 ALA X 9 2.717 -2.533 -3.083 1.00 0.00 H ATOM 1572 HB2 ALA X 9 1.065 -2.302 -2.459 1.00 0.00 H ATOM 1573 HB3 ALA X 9 1.775 -3.934 -2.516 1.00 0.00 H ATOM 1574 H ALA X 9 1.314 -1.023 -4.618 1.00 0.00 H ATOM 1575 N LEU X 10 -1.276 -3.100 -4.162 1.00 43.89 N ATOM 1576 CA LEU X 10 -2.624 -3.687 -4.098 1.00 44.37 C ATOM 1577 C LEU X 10 -2.995 -4.360 -5.401 1.00 44.69 C ATOM 1578 O LEU X 10 -3.408 -5.520 -5.416 1.00 45.42 O ATOM 1579 CB LEU X 10 -3.674 -2.613 -3.724 1.00 44.85 C ATOM 1580 CG LEU X 10 -3.532 -2.094 -2.297 1.00 42.66 C ATOM 1581 CD1 LEU X 10 -4.478 -0.900 -2.024 1.00 46.49 C ATOM 1582 CD2 LEU X 10 -3.720 -3.193 -1.262 1.00 40.56 C ATOM 1583 HA LEU X 10 -2.615 -4.449 -3.318 1.00 0.00 H ATOM 1584 HB2 LEU X 10 -3.567 -1.772 -4.409 1.00 0.00 H ATOM 1585 HB3 LEU X 10 -4.667 -3.048 -3.836 1.00 0.00 H ATOM 1586 HG LEU X 10 -2.508 -1.734 -2.199 1.00 0.00 H ATOM 1587 HD21 LEU X 10 -4.716 -3.624 -1.368 1.00 0.00 H ATOM 1588 HD22 LEU X 10 -2.969 -3.968 -1.416 1.00 0.00 H ATOM 1589 HD23 LEU X 10 -3.609 -2.772 -0.263 1.00 0.00 H ATOM 1590 HD11 LEU X 10 -4.242 -0.087 -2.710 1.00 0.00 H ATOM 1591 HD12 LEU X 10 -5.511 -1.215 -2.174 1.00 0.00 H ATOM 1592 HD13 LEU X 10 -4.345 -0.561 -0.997 1.00 0.00 H ATOM 1593 H LEU X 10 -1.155 -2.076 -4.023 1.00 0.00 H ATOM 1594 N ILE X 11 -2.812 -3.638 -6.507 1.00 44.43 N ATOM 1595 CA ILE X 11 -3.034 -4.180 -7.847 1.00 43.58 C ATOM 1596 C ILE X 11 -2.128 -5.385 -8.113 1.00 43.86 C ATOM 1597 O ILE X 11 -2.588 -6.415 -8.613 1.00 42.60 O ATOM 1598 CB ILE X 11 -2.840 -3.070 -8.915 1.00 43.71 C ATOM 1599 CG1 ILE X 11 -3.835 -1.931 -8.646 1.00 44.56 C ATOM 1600 CG2 ILE X 11 -2.996 -3.624 -10.354 1.00 43.85 C ATOM 1601 CD1 ILE X 11 -3.622 -0.609 -9.466 1.00 44.66 C ATOM 1602 HA ILE X 11 -4.063 -4.534 -7.912 1.00 0.00 H ATOM 1603 HB ILE X 11 -1.823 -2.685 -8.839 1.00 0.00 H ATOM 1604 HG12 ILE X 11 -4.834 -2.303 -8.871 1.00 0.00 H ATOM 1605 HG13 ILE X 11 -3.772 -1.679 -7.587 1.00 0.00 H ATOM 1606 HD11 ILE X 11 -2.635 -0.202 -9.247 1.00 0.00 H ATOM 1607 HD12 ILE X 11 -3.698 -0.827 -10.531 1.00 0.00 H ATOM 1608 HD13 ILE X 11 -4.386 0.117 -9.187 1.00 0.00 H ATOM 1609 HG21 ILE X 11 -2.250 -4.400 -10.526 1.00 0.00 H ATOM 1610 HG22 ILE X 11 -3.994 -4.045 -10.474 1.00 0.00 H ATOM 1611 HG23 ILE X 11 -2.853 -2.815 -11.071 1.00 0.00 H ATOM 1612 H ILE X 11 -2.499 -2.651 -6.413 1.00 0.00 H ATOM 1613 N ASP X 12 -0.862 -5.268 -7.712 1.00 43.45 N ATOM 1614 CA ASP X 12 0.168 -6.269 -8.033 1.00 44.54 C ATOM 1615 C ASP X 12 -0.135 -7.568 -7.304 1.00 43.66 C ATOM 1616 O ASP X 12 -0.103 -8.641 -7.899 1.00 43.28 O ATOM 1617 CB ASP X 12 1.480 -5.800 -7.471 1.00 44.93 C ATOM 1618 CG ASP X 12 2.545 -5.811 -8.445 1.00 48.78 C ATOM 1619 OD1 ASP X 12 3.012 -6.924 -8.852 1.00 49.54 O ATOM 1620 OD2 ASP X 12 2.928 -4.665 -8.784 1.00 49.87 O ATOM 1621 HA ASP X 12 0.194 -6.408 -9.114 1.00 0.00 H ATOM 1622 HB2 ASP X 12 1.356 -4.782 -7.102 1.00 0.00 H ATOM 1623 HB3 ASP X 12 1.758 -6.454 -6.644 1.00 0.00 H ATOM 1624 H ASP X 12 -0.591 -4.436 -7.150 1.00 0.00 H ATOM 1625 N VAL X 13 -0.397 -7.467 -6.003 1.00 43.46 N ATOM 1626 CA VAL X 13 -0.651 -8.698 -5.232 1.00 43.86 C ATOM 1627 C VAL X 13 -1.910 -9.381 -5.743 1.00 44.14 C ATOM 1628 O VAL X 13 -1.924 -10.588 -5.888 1.00 44.38 O ATOM 1629 CB VAL X 13 -0.629 -8.545 -3.682 1.00 43.99 C ATOM 1630 CG1 VAL X 13 -1.869 -7.797 -3.138 1.00 46.52 C ATOM 1631 CG2 VAL X 13 -0.573 -9.907 -2.996 1.00 41.52 C ATOM 1632 HA VAL X 13 0.207 -9.345 -5.414 1.00 0.00 H ATOM 1633 HB VAL X 13 0.265 -7.963 -3.459 1.00 0.00 H ATOM 1634 HG11 VAL X 13 -1.908 -6.798 -3.572 1.00 0.00 H ATOM 1635 HG12 VAL X 13 -2.771 -8.347 -3.407 1.00 0.00 H ATOM 1636 HG13 VAL X 13 -1.799 -7.721 -2.053 1.00 0.00 H ATOM 1637 HG21 VAL X 13 -1.450 -10.490 -3.277 1.00 0.00 H ATOM 1638 HG22 VAL X 13 0.330 -10.433 -3.308 1.00 0.00 H ATOM 1639 HG23 VAL X 13 -0.559 -9.768 -1.915 1.00 0.00 H ATOM 1640 H VAL X 13 -0.422 -6.537 -5.539 1.00 0.00 H ATOM 1641 N PHE X 14 -2.959 -8.625 -6.016 1.00 44.02 N ATOM 1642 CA PHE X 14 -4.211 -9.256 -6.427 1.00 44.41 C ATOM 1643 C PHE X 14 -4.020 -10.065 -7.720 1.00 45.42 C ATOM 1644 O PHE X 14 -4.592 -11.133 -7.894 1.00 45.41 O ATOM 1645 CB PHE X 14 -5.328 -8.224 -6.618 1.00 44.38 C ATOM 1646 CG PHE X 14 -6.619 -8.840 -7.098 1.00 42.02 C ATOM 1647 CD1 PHE X 14 -7.516 -9.411 -6.187 1.00 41.97 C ATOM 1648 CD2 PHE X 14 -6.901 -8.920 -8.450 1.00 43.85 C ATOM 1649 CE1 PHE X 14 -8.707 -10.005 -6.621 1.00 42.12 C ATOM 1650 CE2 PHE X 14 -8.085 -9.541 -8.895 1.00 42.75 C ATOM 1651 CZ PHE X 14 -8.982 -10.077 -7.971 1.00 42.54 C ATOM 1652 HA PHE X 14 -4.506 -9.934 -5.626 1.00 0.00 H ATOM 1653 HB2 PHE X 14 -5.512 -7.729 -5.664 1.00 0.00 H ATOM 1654 HB3 PHE X 14 -5.000 -7.487 -7.351 1.00 0.00 H ATOM 1655 HD2 PHE X 14 -6.204 -8.500 -9.175 1.00 0.00 H ATOM 1656 HE2 PHE X 14 -8.300 -9.603 -9.962 1.00 0.00 H ATOM 1657 HZ PHE X 14 -9.900 -10.553 -8.316 1.00 0.00 H ATOM 1658 HE1 PHE X 14 -9.414 -10.409 -5.896 1.00 0.00 H ATOM 1659 HD1 PHE X 14 -7.283 -9.393 -5.122 1.00 0.00 H ATOM 1660 H PHE X 14 -2.894 -7.590 -5.939 1.00 0.00 H ATOM 1661 N HIS X 15 -3.232 -9.516 -8.633 1.00 45.98 N ATOM 1662 CA HIS X 15 -3.040 -10.139 -9.903 1.00 46.20 C ATOM 1663 C HIS X 15 -2.128 -11.334 -9.827 1.00 45.93 C ATOM 1664 O HIS X 15 -2.374 -12.337 -10.478 1.00 45.40 O ATOM 1665 CB HIS X 15 -2.611 -9.110 -10.915 1.00 46.96 C ATOM 1666 CG HIS X 15 -3.762 -8.626 -11.728 1.00 49.71 C ATOM 1667 ND1 HIS X 15 -4.389 -7.422 -11.496 1.00 53.19 N ATOM 1668 CD2 HIS X 15 -4.477 -9.247 -12.693 1.00 51.34 C ATOM 1669 CE1 HIS X 15 -5.408 -7.301 -12.326 1.00 52.60 C ATOM 1670 NE2 HIS X 15 -5.486 -8.397 -13.058 1.00 52.95 N ATOM 1671 HA HIS X 15 -3.992 -10.549 -10.240 1.00 0.00 H ATOM 1672 HB2 HIS X 15 -2.166 -8.263 -10.392 1.00 0.00 H ATOM 1673 HB3 HIS X 15 -1.870 -9.555 -11.580 1.00 0.00 H ATOM 1674 HD2 HIS X 15 -4.286 -10.239 -13.103 1.00 0.00 H ATOM 1675 HE1 HIS X 15 -6.074 -6.441 -12.395 1.00 0.00 H ATOM 1676 H HIS X 15 -2.748 -8.620 -8.422 1.00 0.00 H ATOM 1677 N GLN X 16 -1.114 -11.246 -8.981 1.00 45.57 N ATOM 1678 CA GLN X 16 -0.226 -12.367 -8.768 1.00 45.83 C ATOM 1679 C GLN X 16 -1.063 -13.565 -8.400 1.00 45.31 C ATOM 1680 O GLN X 16 -0.930 -14.619 -8.976 1.00 44.93 O ATOM 1681 CB GLN X 16 0.749 -12.063 -7.636 1.00 45.59 C ATOM 1682 CG GLN X 16 1.877 -11.148 -8.043 1.00 51.38 C ATOM 1683 CD GLN X 16 2.796 -10.789 -6.885 1.00 57.54 C ATOM 1684 OE1 GLN X 16 2.640 -11.295 -5.757 1.00 58.83 O ATOM 1685 NE2 GLN X 16 3.777 -9.923 -7.163 1.00 58.23 N ATOM 1686 HA GLN X 16 0.347 -12.561 -9.675 1.00 0.00 H ATOM 1687 HB2 GLN X 16 0.198 -11.591 -6.823 1.00 0.00 H ATOM 1688 HB3 GLN X 16 1.176 -13.003 -7.286 1.00 0.00 H ATOM 1689 HG2 GLN X 16 2.466 -11.644 -8.814 1.00 0.00 H ATOM 1690 HG3 GLN X 16 1.451 -10.230 -8.447 1.00 0.00 H ATOM 1691 HE22 GLN X 16 3.866 -9.528 -8.121 1.00 0.00 H ATOM 1692 HE21 GLN X 16 4.451 -9.645 -6.421 1.00 0.00 H ATOM 1693 H GLN X 16 -0.954 -10.359 -8.463 1.00 0.00 H ATOM 1694 N TYR X 17 -1.964 -13.379 -7.444 1.00 45.05 N ATOM 1695 CA TYR X 17 -2.712 -14.514 -6.936 1.00 44.58 C ATOM 1696 C TYR X 17 -3.884 -14.895 -7.843 1.00 44.54 C ATOM 1697 O TYR X 17 -4.085 -16.074 -8.085 1.00 44.66 O ATOM 1698 CB TYR X 17 -3.089 -14.292 -5.459 1.00 44.45 C ATOM 1699 CG TYR X 17 -1.868 -14.488 -4.536 1.00 45.46 C ATOM 1700 CD1 TYR X 17 -0.968 -13.449 -4.294 1.00 42.01 C ATOM 1701 CD2 TYR X 17 -1.610 -15.740 -3.950 1.00 44.25 C ATOM 1702 CE1 TYR X 17 0.195 -13.650 -3.479 1.00 45.47 C ATOM 1703 CE2 TYR X 17 -0.512 -15.951 -3.158 1.00 45.58 C ATOM 1704 CZ TYR X 17 0.393 -14.908 -2.907 1.00 46.92 C ATOM 1705 OH TYR X 17 1.503 -15.201 -2.116 1.00 44.95 O ATOM 1706 HA TYR X 17 -2.069 -15.394 -6.957 1.00 0.00 H ATOM 1707 HB3 TYR X 17 -3.865 -15.004 -5.179 1.00 0.00 H ATOM 1708 HB2 TYR X 17 -3.468 -13.277 -5.337 1.00 0.00 H ATOM 1709 HD2 TYR X 17 -2.301 -16.563 -4.130 1.00 0.00 H ATOM 1710 HE2 TYR X 17 -0.340 -16.934 -2.720 1.00 0.00 H ATOM 1711 HE1 TYR X 17 0.906 -12.841 -3.311 1.00 0.00 H ATOM 1712 HD1 TYR X 17 -1.152 -12.468 -4.732 1.00 0.00 H ATOM 1713 HH TYR X 17 2.059 -14.388 -2.015 1.00 0.00 H ATOM 1714 H TYR X 17 -2.133 -12.427 -7.062 1.00 0.00 H ATOM 1715 N SER X 18 -4.602 -13.915 -8.408 1.00 44.73 N ATOM 1716 CA SER X 18 -5.823 -14.215 -9.160 1.00 43.55 C ATOM 1717 C SER X 18 -5.550 -14.912 -10.491 1.00 44.25 C ATOM 1718 O SER X 18 -6.379 -15.725 -10.994 1.00 43.97 O ATOM 1719 CB SER X 18 -6.662 -12.948 -9.372 1.00 43.71 C ATOM 1720 OG SER X 18 -5.983 -12.031 -10.207 1.00 44.24 O ATOM 1721 HA SER X 18 -6.393 -14.918 -8.552 1.00 0.00 H ATOM 1722 HB2 SER X 18 -6.853 -12.479 -8.407 1.00 0.00 H ATOM 1723 HB3 SER X 18 -7.610 -13.220 -9.836 1.00 0.00 H ATOM 1724 HG SER X 18 -5.123 -11.779 -9.787 1.00 0.00 H ATOM 1725 H SER X 18 -4.288 -12.928 -8.311 1.00 0.00 H ATOM 1726 N GLY X 19 -4.405 -14.583 -11.076 1.00 43.20 N ATOM 1727 CA GLY X 19 -4.017 -15.173 -12.347 1.00 43.85 C ATOM 1728 C GLY X 19 -3.420 -16.578 -12.248 1.00 44.31 C ATOM 1729 O GLY X 19 -2.994 -17.132 -13.259 1.00 43.44 O ATOM 1730 HA3 GLY X 19 -3.276 -14.522 -12.811 1.00 0.00 H ATOM 1731 HA2 GLY X 19 -4.902 -15.224 -12.981 1.00 0.00 H ATOM 1732 H GLY X 19 -3.776 -13.893 -10.618 1.00 0.00 H ATOM 1733 N ARG X 20 -3.368 -17.161 -11.053 1.00 44.12 N ATOM 1734 CA ARG X 20 -2.915 -18.559 -10.952 1.00 44.75 C ATOM 1735 C ARG X 20 -3.835 -19.537 -11.691 1.00 44.70 C ATOM 1736 O ARG X 20 -3.373 -20.312 -12.536 1.00 44.25 O ATOM 1737 CB ARG X 20 -2.747 -18.979 -9.484 1.00 45.30 C ATOM 1738 CG ARG X 20 -1.598 -18.259 -8.799 1.00 46.52 C ATOM 1739 CD ARG X 20 -1.522 -18.580 -7.331 1.00 45.11 C ATOM 1740 NE ARG X 20 -0.300 -18.024 -6.753 1.00 47.34 N ATOM 1741 CZ ARG X 20 0.211 -18.415 -5.588 1.00 46.34 C ATOM 1742 NH1 ARG X 20 -0.407 -19.339 -4.865 1.00 43.72 N ATOM 1743 NH2 ARG X 20 1.343 -17.899 -5.158 1.00 45.22 N ATOM 1744 HA ARG X 20 -1.944 -18.605 -11.445 1.00 0.00 H ATOM 1745 HB2 ARG X 20 -3.669 -18.754 -8.948 1.00 0.00 H ATOM 1746 HB3 ARG X 20 -2.559 -20.052 -9.447 1.00 0.00 H ATOM 1747 HG2 ARG X 20 -0.663 -18.558 -9.273 1.00 0.00 H ATOM 1748 HG3 ARG X 20 -1.736 -17.184 -8.917 1.00 0.00 H ATOM 1749 HD2 ARG X 20 -1.523 -19.662 -7.199 1.00 0.00 H ATOM 1750 HD3 ARG X 20 -2.387 -18.152 -6.824 1.00 0.00 H ATOM 1751 HE ARG X 20 0.199 -17.280 -7.282 1.00 0.00 H ATOM 1752 HH12 ARG X 20 -0.005 -19.642 -3.955 1.00 0.00 H ATOM 1753 HH11 ARG X 20 -1.294 -19.760 -5.208 1.00 0.00 H ATOM 1754 HH22 ARG X 20 1.741 -18.205 -4.247 1.00 0.00 H ATOM 1755 HH21 ARG X 20 1.839 -17.185 -5.729 1.00 0.00 H ATOM 1756 H ARG X 20 -3.644 -16.635 -10.199 1.00 0.00 H ATOM 1757 N GLU X 21 -5.129 -19.511 -11.386 1.00 44.89 N ATOM 1758 CA GLU X 21 -6.034 -20.579 -11.837 1.00 46.28 C ATOM 1759 C GLU X 21 -7.394 -20.058 -12.231 1.00 46.22 C ATOM 1760 O GLU X 21 -7.825 -18.980 -11.771 1.00 45.21 O ATOM 1761 CB GLU X 21 -6.245 -21.599 -10.712 1.00 47.08 C ATOM 1762 CG GLU X 21 -5.044 -22.431 -10.365 1.00 51.33 C ATOM 1763 CD GLU X 21 -5.292 -23.297 -9.163 1.00 55.99 C ATOM 1764 OE1 GLU X 21 -6.275 -24.064 -9.162 1.00 58.44 O ATOM 1765 OE2 GLU X 21 -4.510 -23.198 -8.208 1.00 59.25 O ATOM 1766 HA GLU X 21 -5.561 -21.033 -12.708 1.00 0.00 H ATOM 1767 HB2 GLU X 21 -6.548 -21.056 -9.817 1.00 0.00 H ATOM 1768 HB3 GLU X 21 -7.046 -22.274 -11.015 1.00 0.00 H ATOM 1769 HG2 GLU X 21 -4.799 -23.068 -11.215 1.00 0.00 H ATOM 1770 HG3 GLU X 21 -4.204 -21.768 -10.155 1.00 0.00 H ATOM 1771 H GLU X 21 -5.507 -18.724 -10.820 1.00 0.00 H ATOM 1772 N GLY X 22 -8.096 -20.844 -13.046 1.00 45.59 N ATOM 1773 CA GLY X 22 -9.449 -20.515 -13.462 1.00 46.11 C ATOM 1774 C GLY X 22 -9.523 -19.081 -13.938 1.00 46.41 C ATOM 1775 O GLY X 22 -8.619 -18.619 -14.642 1.00 45.63 O ATOM 1776 HA3 GLY X 22 -10.126 -20.649 -12.619 1.00 0.00 H ATOM 1777 HA2 GLY X 22 -9.746 -21.179 -14.274 1.00 0.00 H ATOM 1778 H GLY X 22 -7.662 -21.722 -13.396 1.00 0.00 H ATOM 1779 N ASP X 23 -10.579 -18.371 -13.522 1.00 47.12 N ATOM 1780 CA ASP X 23 -10.750 -16.969 -13.873 1.00 47.73 C ATOM 1781 C ASP X 23 -9.556 -16.198 -13.364 1.00 48.05 C ATOM 1782 O ASP X 23 -9.256 -16.212 -12.167 1.00 48.05 O ATOM 1783 CB ASP X 23 -12.026 -16.371 -13.279 1.00 47.84 C ATOM 1784 CG ASP X 23 -12.339 -14.984 -13.849 1.00 49.71 C ATOM 1785 OD1 ASP X 23 -11.393 -14.195 -14.103 1.00 50.97 O ATOM 1786 OD2 ASP X 23 -13.533 -14.680 -14.055 1.00 51.65 O ATOM 1787 HA ASP X 23 -10.833 -16.900 -14.958 1.00 0.00 H ATOM 1788 HB2 ASP X 23 -12.861 -17.037 -13.499 1.00 0.00 H ATOM 1789 HB3 ASP X 23 -11.904 -16.287 -12.199 1.00 0.00 H ATOM 1790 H ASP X 23 -11.298 -18.835 -12.931 1.00 0.00 H ATOM 1791 N LYS X 24 -8.888 -15.504 -14.277 1.00 48.10 N ATOM 1792 CA LYS X 24 -7.615 -14.894 -13.952 1.00 48.39 C ATOM 1793 C LYS X 24 -7.730 -13.464 -13.490 1.00 48.21 C ATOM 1794 O LYS X 24 -6.718 -12.801 -13.247 1.00 48.09 O ATOM 1795 CB LYS X 24 -6.649 -15.054 -15.120 1.00 49.08 C ATOM 1796 CG LYS X 24 -6.644 -16.487 -15.607 1.00 49.98 C ATOM 1797 CD LYS X 24 -5.263 -17.070 -15.651 1.00 53.12 C ATOM 1798 CE LYS X 24 -4.525 -16.650 -16.903 1.00 52.43 C ATOM 1799 NZ LYS X 24 -3.090 -16.922 -16.674 1.00 54.62 N ATOM 1800 HA LYS X 24 -7.211 -15.426 -13.091 1.00 0.00 H ATOM 1801 HB2 LYS X 24 -6.958 -14.399 -15.934 1.00 0.00 H ATOM 1802 HB3 LYS X 24 -5.645 -14.781 -14.796 1.00 0.00 H ATOM 1803 HG2 LYS X 24 -7.257 -17.088 -14.935 1.00 0.00 H ATOM 1804 HG3 LYS X 24 -7.070 -16.518 -16.610 1.00 0.00 H ATOM 1805 HD2 LYS X 24 -4.706 -16.728 -14.779 1.00 0.00 H ATOM 1806 HD3 LYS X 24 -5.336 -18.157 -15.630 1.00 0.00 H ATOM 1807 HE2 LYS X 24 -4.679 -15.587 -17.090 1.00 0.00 H ATOM 1808 HE3 LYS X 24 -4.883 -17.223 -17.758 1.00 0.00 H ATOM 1809 HZ1 LYS X 24 -2.761 -16.375 -15.853 1.00 0.00 H ATOM 1810 HZ2 LYS X 24 -2.956 -17.937 -16.492 1.00 0.00 H ATOM 1811 HZ3 LYS X 24 -2.547 -16.645 -17.517 1.00 0.00 H ATOM 1812 H LYS X 24 -9.282 -15.397 -15.234 1.00 0.00 H ATOM 1813 N HIS X 25 -8.968 -13.012 -13.324 1.00 48.12 N ATOM 1814 CA HIS X 25 -9.254 -11.730 -12.685 1.00 48.17 C ATOM 1815 C HIS X 25 -10.031 -11.933 -11.394 1.00 47.48 C ATOM 1816 O HIS X 25 -10.565 -10.984 -10.847 1.00 48.55 O ATOM 1817 CB HIS X 25 -10.080 -10.829 -13.600 1.00 48.67 C ATOM 1818 CG HIS X 25 -9.351 -10.362 -14.820 1.00 52.02 C ATOM 1819 ND1 HIS X 25 -8.267 -9.506 -14.763 1.00 55.09 N ATOM 1820 CD2 HIS X 25 -9.568 -10.609 -16.134 1.00 51.93 C ATOM 1821 CE1 HIS X 25 -7.840 -9.264 -15.990 1.00 53.37 C ATOM 1822 NE2 HIS X 25 -8.609 -9.923 -16.838 1.00 53.06 N ATOM 1823 HA HIS X 25 -8.294 -11.258 -12.475 1.00 0.00 H ATOM 1824 HB2 HIS X 25 -10.963 -11.383 -13.920 1.00 0.00 H ATOM 1825 HB3 HIS X 25 -10.389 -9.953 -13.030 1.00 0.00 H ATOM 1826 HD2 HIS X 25 -10.356 -11.235 -16.554 1.00 0.00 H ATOM 1827 HE1 HIS X 25 -6.996 -8.628 -16.257 1.00 0.00 H ATOM 1828 H HIS X 25 -9.763 -13.592 -13.661 1.00 0.00 H ATOM 1829 N LYS X 26 -10.119 -13.162 -10.907 1.00 46.27 N ATOM 1830 CA LYS X 26 -10.785 -13.385 -9.638 1.00 44.97 C ATOM 1831 C LYS X 26 -9.945 -14.339 -8.816 1.00 45.16 C ATOM 1832 O LYS X 26 -9.244 -15.178 -9.372 1.00 44.98 O ATOM 1833 CB LYS X 26 -12.174 -13.984 -9.825 1.00 44.92 C ATOM 1834 CG LYS X 26 -13.172 -13.107 -10.569 1.00 44.60 C ATOM 1835 CD LYS X 26 -14.513 -13.814 -10.629 1.00 47.85 C ATOM 1836 CE LYS X 26 -15.523 -12.975 -11.354 1.00 49.56 C ATOM 1837 NZ LYS X 26 -16.874 -13.516 -11.103 1.00 53.44 N ATOM 1838 HA LYS X 26 -10.899 -12.424 -9.136 1.00 0.00 H ATOM 1839 HB2 LYS X 26 -12.066 -14.916 -10.380 1.00 0.00 H ATOM 1840 HB3 LYS X 26 -12.584 -14.196 -8.838 1.00 0.00 H ATOM 1841 HG2 LYS X 26 -13.284 -12.157 -10.046 1.00 0.00 H ATOM 1842 HG3 LYS X 26 -12.812 -12.923 -11.581 1.00 0.00 H ATOM 1843 HD2 LYS X 26 -14.394 -14.763 -11.152 1.00 0.00 H ATOM 1844 HD3 LYS X 26 -14.865 -14.001 -9.614 1.00 0.00 H ATOM 1845 HE2 LYS X 26 -15.314 -12.996 -12.424 1.00 0.00 H ATOM 1846 HE3 LYS X 26 -15.469 -11.947 -10.995 1.00 0.00 H ATOM 1847 HZ1 LYS X 26 -16.923 -14.496 -11.446 1.00 0.00 H ATOM 1848 HZ2 LYS X 26 -17.070 -13.495 -10.082 1.00 0.00 H ATOM 1849 HZ3 LYS X 26 -17.577 -12.936 -11.604 1.00 0.00 H ATOM 1850 H LYS X 26 -9.713 -13.963 -11.432 1.00 0.00 H ATOM 1851 N LEU X 27 -10.038 -14.206 -7.495 1.00 43.08 N ATOM 1852 CA LEU X 27 -9.420 -15.135 -6.575 1.00 43.70 C ATOM 1853 C LEU X 27 -10.384 -16.271 -6.238 1.00 43.83 C ATOM 1854 O LEU X 27 -11.449 -16.016 -5.633 1.00 43.53 O ATOM 1855 CB LEU X 27 -9.051 -14.402 -5.281 1.00 43.57 C ATOM 1856 CG LEU X 27 -8.023 -13.261 -5.428 1.00 44.61 C ATOM 1857 CD1 LEU X 27 -8.082 -12.421 -4.156 1.00 46.94 C ATOM 1858 CD2 LEU X 27 -6.610 -13.838 -5.569 1.00 43.81 C ATOM 1859 HA LEU X 27 -8.526 -15.547 -7.044 1.00 0.00 H ATOM 1860 HB2 LEU X 27 -9.964 -13.978 -4.864 1.00 0.00 H ATOM 1861 HB3 LEU X 27 -8.641 -15.135 -4.586 1.00 0.00 H ATOM 1862 HG LEU X 27 -8.252 -12.665 -6.311 1.00 0.00 H ATOM 1863 HD21 LEU X 27 -6.369 -14.425 -4.683 1.00 0.00 H ATOM 1864 HD22 LEU X 27 -6.566 -14.475 -6.452 1.00 0.00 H ATOM 1865 HD23 LEU X 27 -5.894 -13.022 -5.672 1.00 0.00 H ATOM 1866 HD11 LEU X 27 -9.087 -12.015 -4.036 1.00 0.00 H ATOM 1867 HD12 LEU X 27 -7.837 -13.046 -3.298 1.00 0.00 H ATOM 1868 HD13 LEU X 27 -7.365 -11.603 -4.228 1.00 0.00 H ATOM 1869 H LEU X 27 -10.576 -13.403 -7.110 1.00 0.00 H ATOM 1870 N LYS X 28 -10.036 -17.508 -6.608 1.00 43.16 N ATOM 1871 CA LYS X 28 -10.792 -18.664 -6.109 1.00 44.34 C ATOM 1872 C LYS X 28 -10.344 -18.953 -4.682 1.00 44.12 C ATOM 1873 O LYS X 28 -9.419 -18.348 -4.193 1.00 44.43 O ATOM 1874 CB LYS X 28 -10.594 -19.923 -6.963 1.00 44.69 C ATOM 1875 CG LYS X 28 -9.148 -20.195 -7.381 1.00 45.50 C ATOM 1876 CD LYS X 28 -8.898 -21.638 -7.824 1.00 46.37 C ATOM 1877 CE LYS X 28 -10.020 -22.212 -8.644 1.00 51.98 C ATOM 1878 NZ LYS X 28 -10.145 -21.518 -9.965 1.00 57.61 N ATOM 1879 HA LYS X 28 -11.851 -18.412 -6.155 1.00 0.00 H ATOM 1880 HB2 LYS X 28 -10.949 -20.780 -6.391 1.00 0.00 H ATOM 1881 HB3 LYS X 28 -11.194 -19.818 -7.867 1.00 0.00 H ATOM 1882 HG2 LYS X 28 -8.898 -19.532 -8.209 1.00 0.00 H ATOM 1883 HG3 LYS X 28 -8.498 -19.977 -6.534 1.00 0.00 H ATOM 1884 HD2 LYS X 28 -7.986 -21.664 -8.420 1.00 0.00 H ATOM 1885 HD3 LYS X 28 -8.768 -22.255 -6.935 1.00 0.00 H ATOM 1886 HE2 LYS X 28 -10.955 -22.099 -8.094 1.00 0.00 H ATOM 1887 HE3 LYS X 28 -9.827 -23.271 -8.817 1.00 0.00 H ATOM 1888 HZ1 LYS X 28 -10.335 -20.508 -9.808 1.00 0.00 H ATOM 1889 HZ2 LYS X 28 -9.258 -21.627 -10.498 1.00 0.00 H ATOM 1890 HZ3 LYS X 28 -10.928 -21.939 -10.504 1.00 0.00 H ATOM 1891 H LYS X 28 -9.230 -17.651 -7.249 1.00 0.00 H ATOM 1892 N LYS X 29 -10.999 -19.883 -4.010 1.00 43.84 N ATOM 1893 CA LYS X 29 -10.643 -20.129 -2.619 1.00 44.31 C ATOM 1894 C LYS X 29 -9.166 -20.468 -2.408 1.00 44.50 C ATOM 1895 O LYS X 29 -8.567 -19.898 -1.521 1.00 44.30 O ATOM 1896 CB LYS X 29 -11.565 -21.158 -1.971 1.00 43.14 C ATOM 1897 CG LYS X 29 -12.993 -20.634 -1.827 1.00 42.58 C ATOM 1898 CD LYS X 29 -13.890 -21.575 -1.013 1.00 42.72 C ATOM 1899 CE LYS X 29 -14.151 -22.814 -1.747 1.00 41.11 C ATOM 1900 NZ LYS X 29 -15.068 -23.773 -1.024 1.00 41.30 N ATOM 1901 HA LYS X 29 -10.796 -19.179 -2.106 1.00 0.00 H ATOM 1902 HB2 LYS X 29 -11.580 -22.056 -2.588 1.00 0.00 H ATOM 1903 HB3 LYS X 29 -11.178 -21.404 -0.982 1.00 0.00 H ATOM 1904 HG2 LYS X 29 -12.961 -19.665 -1.329 1.00 0.00 H ATOM 1905 HG3 LYS X 29 -13.423 -20.515 -2.821 1.00 0.00 H ATOM 1906 HD2 LYS X 29 -13.395 -21.815 -0.072 1.00 0.00 H ATOM 1907 HD3 LYS X 29 -14.837 -21.076 -0.807 1.00 0.00 H ATOM 1908 HE2 LYS X 29 -13.199 -23.316 -1.923 1.00 0.00 H ATOM 1909 HE3 LYS X 29 -14.607 -22.557 -2.703 1.00 0.00 H ATOM 1910 HZ1 LYS X 29 -14.642 -24.038 -0.113 1.00 0.00 H ATOM 1911 HZ2 LYS X 29 -15.986 -23.314 -0.858 1.00 0.00 H ATOM 1912 HZ3 LYS X 29 -15.205 -24.625 -1.605 1.00 0.00 H ATOM 1913 H LYS X 29 -11.756 -20.430 -4.467 1.00 0.00 H ATOM 1914 N SER X 30 -8.585 -21.368 -3.211 1.00 44.86 N ATOM 1915 CA SER X 30 -7.145 -21.717 -3.034 1.00 46.13 C ATOM 1916 C SER X 30 -6.175 -20.535 -3.228 1.00 45.86 C ATOM 1917 O SER X 30 -5.175 -20.385 -2.504 1.00 46.65 O ATOM 1918 CB SER X 30 -6.751 -22.869 -3.973 1.00 45.74 C ATOM 1919 OG SER X 30 -6.843 -22.434 -5.322 1.00 46.59 O ATOM 1920 HA SER X 30 -7.048 -22.023 -1.992 1.00 0.00 H ATOM 1921 HB2 SER X 30 -7.424 -23.712 -3.816 1.00 0.00 H ATOM 1922 HB3 SER X 30 -5.728 -23.178 -3.760 1.00 0.00 H ATOM 1923 HG SER X 30 -6.589 -23.177 -5.925 1.00 0.00 H ATOM 1924 H SER X 30 -9.140 -21.826 -3.962 1.00 0.00 H ATOM 1925 N GLU X 31 -6.472 -19.678 -4.195 1.00 45.62 N ATOM 1926 CA GLU X 31 -5.666 -18.460 -4.409 1.00 44.98 C ATOM 1927 C GLU X 31 -5.819 -17.467 -3.248 1.00 46.01 C ATOM 1928 O GLU X 31 -4.841 -16.846 -2.829 1.00 46.52 O ATOM 1929 CB GLU X 31 -6.077 -17.773 -5.716 1.00 43.80 C ATOM 1930 CG GLU X 31 -5.837 -18.646 -6.945 1.00 43.50 C ATOM 1931 CD GLU X 31 -6.504 -18.069 -8.178 1.00 38.94 C ATOM 1932 OE1 GLU X 31 -7.493 -17.345 -8.027 1.00 40.62 O ATOM 1933 OE2 GLU X 31 -6.069 -18.349 -9.303 1.00 42.04 O ATOM 1934 HA GLU X 31 -4.622 -18.768 -4.464 1.00 0.00 H ATOM 1935 HB2 GLU X 31 -7.138 -17.530 -5.663 1.00 0.00 H ATOM 1936 HB3 GLU X 31 -5.500 -16.854 -5.823 1.00 0.00 H ATOM 1937 HG2 GLU X 31 -4.764 -18.718 -7.124 1.00 0.00 H ATOM 1938 HG3 GLU X 31 -6.241 -19.641 -6.757 1.00 0.00 H ATOM 1939 H GLU X 31 -7.287 -19.867 -4.813 1.00 0.00 H ATOM 1940 N LEU X 32 -7.039 -17.312 -2.739 1.00 45.94 N ATOM 1941 CA LEU X 32 -7.283 -16.385 -1.610 1.00 46.08 C ATOM 1942 C LEU X 32 -6.533 -16.874 -0.371 1.00 45.75 C ATOM 1943 O LEU X 32 -5.916 -16.077 0.367 1.00 45.59 O ATOM 1944 CB LEU X 32 -8.764 -16.398 -1.284 1.00 46.08 C ATOM 1945 CG LEU X 32 -9.523 -15.205 -0.684 1.00 48.81 C ATOM 1946 CD1 LEU X 32 -10.589 -15.665 0.305 1.00 46.02 C ATOM 1947 CD2 LEU X 32 -8.706 -13.987 -0.184 1.00 47.24 C ATOM 1948 HA LEU X 32 -6.947 -15.386 -1.886 1.00 0.00 H ATOM 1949 HB2 LEU X 32 -9.271 -16.630 -2.221 1.00 0.00 H ATOM 1950 HB3 LEU X 32 -8.905 -17.221 -0.583 1.00 0.00 H ATOM 1951 HG LEU X 32 -10.007 -14.766 -1.556 1.00 0.00 H ATOM 1952 HD21 LEU X 32 -8.022 -14.308 0.602 1.00 0.00 H ATOM 1953 HD22 LEU X 32 -8.137 -13.568 -1.014 1.00 0.00 H ATOM 1954 HD23 LEU X 32 -9.386 -13.232 0.210 1.00 0.00 H ATOM 1955 HD11 LEU X 32 -11.304 -16.309 -0.207 1.00 0.00 H ATOM 1956 HD12 LEU X 32 -10.116 -16.218 1.116 1.00 0.00 H ATOM 1957 HD13 LEU X 32 -11.106 -14.795 0.710 1.00 0.00 H ATOM 1958 H LEU X 32 -7.833 -17.850 -3.140 1.00 0.00 H ATOM 1959 N LYS X 33 -6.632 -18.171 -0.114 1.00 45.11 N ATOM 1960 CA LYS X 33 -5.929 -18.799 1.034 1.00 46.16 C ATOM 1961 C LYS X 33 -4.411 -18.514 1.008 1.00 46.91 C ATOM 1962 O LYS X 33 -3.830 -18.080 2.017 1.00 47.35 O ATOM 1963 CB LYS X 33 -6.197 -20.305 1.058 1.00 45.60 C ATOM 1964 CG LYS X 33 -5.346 -21.101 2.049 1.00 44.95 C ATOM 1965 CD LYS X 33 -5.655 -22.600 1.943 1.00 48.15 C ATOM 1966 CE LYS X 33 -4.401 -23.463 2.120 1.00 52.29 C ATOM 1967 NZ LYS X 33 -4.689 -24.955 2.062 1.00 50.77 N ATOM 1968 HA LYS X 33 -6.323 -18.354 1.947 1.00 0.00 H ATOM 1969 HB2 LYS X 33 -7.245 -20.457 1.315 1.00 0.00 H ATOM 1970 HB3 LYS X 33 -6.008 -20.698 0.059 1.00 0.00 H ATOM 1971 HG2 LYS X 33 -4.291 -20.936 1.829 1.00 0.00 H ATOM 1972 HG3 LYS X 33 -5.563 -20.761 3.062 1.00 0.00 H ATOM 1973 HD2 LYS X 33 -6.376 -22.866 2.716 1.00 0.00 H ATOM 1974 HD3 LYS X 33 -6.085 -22.802 0.962 1.00 0.00 H ATOM 1975 HE2 LYS X 33 -3.955 -23.233 3.088 1.00 0.00 H ATOM 1976 HE3 LYS X 33 -3.694 -23.215 1.328 1.00 0.00 H ATOM 1977 HZ1 LYS X 33 -5.355 -25.208 2.820 1.00 0.00 H ATOM 1978 HZ2 LYS X 33 -5.106 -25.191 1.139 1.00 0.00 H ATOM 1979 HZ3 LYS X 33 -3.802 -25.483 2.188 1.00 0.00 H ATOM 1980 H LYS X 33 -7.219 -18.766 -0.734 1.00 0.00 H ATOM 1981 N GLU X 34 -3.782 -18.753 -0.146 1.00 46.78 N ATOM 1982 CA GLU X 34 -2.345 -18.553 -0.295 1.00 47.04 C ATOM 1983 C GLU X 34 -1.996 -17.079 -0.158 1.00 47.19 C ATOM 1984 O GLU X 34 -0.984 -16.743 0.468 1.00 47.67 O ATOM 1985 CB GLU X 34 -1.824 -19.119 -1.631 1.00 46.48 C ATOM 1986 CG GLU X 34 -2.082 -20.641 -1.890 1.00 46.95 C ATOM 1987 CD GLU X 34 -1.386 -21.594 -0.929 1.00 51.44 C ATOM 1988 OE1 GLU X 34 -0.899 -21.163 0.148 1.00 51.17 O ATOM 1989 OE2 GLU X 34 -1.345 -22.824 -1.247 1.00 53.48 O ATOM 1990 HA GLU X 34 -1.850 -19.104 0.504 1.00 0.00 H ATOM 1991 HB2 GLU X 34 -2.300 -18.560 -2.437 1.00 0.00 H ATOM 1992 HB3 GLU X 34 -0.747 -18.955 -1.664 1.00 0.00 H ATOM 1993 HG2 GLU X 34 -3.155 -20.817 -1.820 1.00 0.00 H ATOM 1994 HG3 GLU X 34 -1.742 -20.873 -2.899 1.00 0.00 H ATOM 1995 H GLU X 34 -4.332 -19.091 -0.961 1.00 0.00 H ATOM 1996 N LEU X 35 -2.864 -16.196 -0.677 1.00 47.68 N ATOM 1997 CA LEU X 35 -2.641 -14.764 -0.567 1.00 46.21 C ATOM 1998 C LEU X 35 -2.606 -14.411 0.911 1.00 46.40 C ATOM 1999 O LEU X 35 -1.676 -13.727 1.370 1.00 47.91 O ATOM 2000 CB LEU X 35 -3.735 -13.948 -1.290 1.00 46.12 C ATOM 2001 CG LEU X 35 -3.497 -12.426 -1.336 1.00 45.81 C ATOM 2002 CD1 LEU X 35 -4.071 -11.789 -2.614 1.00 48.66 C ATOM 2003 CD2 LEU X 35 -4.033 -11.632 -0.101 1.00 45.92 C ATOM 2004 HA LEU X 35 -1.697 -14.511 -1.049 1.00 0.00 H ATOM 2005 HB2 LEU X 35 -3.803 -14.310 -2.316 1.00 0.00 H ATOM 2006 HB3 LEU X 35 -4.681 -14.126 -0.780 1.00 0.00 H ATOM 2007 HG LEU X 35 -2.410 -12.344 -1.323 1.00 0.00 H ATOM 2008 HD21 LEU X 35 -5.110 -11.776 -0.017 1.00 0.00 H ATOM 2009 HD22 LEU X 35 -3.545 -11.996 0.803 1.00 0.00 H ATOM 2010 HD23 LEU X 35 -3.816 -10.572 -0.230 1.00 0.00 H ATOM 2011 HD11 LEU X 35 -3.593 -12.235 -3.487 1.00 0.00 H ATOM 2012 HD12 LEU X 35 -5.146 -11.967 -2.656 1.00 0.00 H ATOM 2013 HD13 LEU X 35 -3.879 -10.716 -2.601 1.00 0.00 H ATOM 2014 H LEU X 35 -3.713 -16.544 -1.167 1.00 0.00 H ATOM 2015 N ILE X 36 -3.610 -14.867 1.661 1.00 45.17 N ATOM 2016 CA ILE X 36 -3.676 -14.582 3.110 1.00 45.12 C ATOM 2017 C ILE X 36 -2.494 -15.193 3.867 1.00 44.94 C ATOM 2018 O ILE X 36 -1.863 -14.542 4.695 1.00 44.66 O ATOM 2019 CB ILE X 36 -5.002 -15.088 3.716 1.00 45.51 C ATOM 2020 CG1 ILE X 36 -6.126 -14.141 3.306 1.00 44.20 C ATOM 2021 CG2 ILE X 36 -4.923 -15.136 5.294 1.00 46.60 C ATOM 2022 CD1 ILE X 36 -7.558 -14.743 3.507 1.00 45.10 C ATOM 2023 HA ILE X 36 -3.626 -13.499 3.220 1.00 0.00 H ATOM 2024 HB ILE X 36 -5.191 -16.096 3.346 1.00 0.00 H ATOM 2025 HG12 ILE X 36 -6.047 -13.233 3.903 1.00 0.00 H ATOM 2026 HG13 ILE X 36 -6.001 -13.893 2.252 1.00 0.00 H ATOM 2027 HD11 ILE X 36 -7.658 -15.647 2.907 1.00 0.00 H ATOM 2028 HD12 ILE X 36 -7.704 -14.986 4.559 1.00 0.00 H ATOM 2029 HD13 ILE X 36 -8.305 -14.013 3.194 1.00 0.00 H ATOM 2030 HG21 ILE X 36 -4.121 -15.809 5.596 1.00 0.00 H ATOM 2031 HG22 ILE X 36 -4.723 -14.135 5.677 1.00 0.00 H ATOM 2032 HG23 ILE X 36 -5.871 -15.496 5.693 1.00 0.00 H ATOM 2033 H ILE X 36 -4.361 -15.434 1.218 1.00 0.00 H ATOM 2034 N ASN X 37 -2.190 -16.450 3.566 1.00 44.25 N ATOM 2035 CA ASN X 37 -1.083 -17.169 4.203 1.00 44.55 C ATOM 2036 C ASN X 37 0.321 -16.568 3.944 1.00 45.08 C ATOM 2037 O ASN X 37 1.142 -16.533 4.850 1.00 45.10 O ATOM 2038 CB ASN X 37 -1.131 -18.668 3.820 1.00 43.88 C ATOM 2039 CG ASN X 37 -2.204 -19.442 4.589 1.00 44.98 C ATOM 2040 OD1 ASN X 37 -2.396 -20.679 4.414 1.00 46.90 O ATOM 2041 ND2 ASN X 37 -2.907 -18.734 5.450 1.00 38.12 N ATOM 2042 HA ASN X 37 -1.235 -17.055 5.276 1.00 0.00 H ATOM 2043 HB2 ASN X 37 -1.340 -18.749 2.753 1.00 0.00 H ATOM 2044 HB3 ASN X 37 -0.159 -19.114 4.033 1.00 0.00 H ATOM 2045 HD22 ASN X 37 -2.718 -17.718 5.565 1.00 0.00 H ATOM 2046 HD21 ASN X 37 -3.651 -19.192 6.015 1.00 0.00 H ATOM 2047 H ASN X 37 -2.760 -16.944 2.850 1.00 0.00 H ATOM 2048 N ASN X 38 0.599 -16.177 2.703 1.00 45.08 N ATOM 2049 CA ASN X 38 1.930 -15.685 2.286 1.00 45.46 C ATOM 2050 C ASN X 38 2.134 -14.204 2.514 1.00 45.54 C ATOM 2051 O ASN X 38 3.245 -13.781 2.794 1.00 44.94 O ATOM 2052 CB ASN X 38 2.191 -15.954 0.782 1.00 44.72 C ATOM 2053 CG ASN X 38 2.097 -17.425 0.421 1.00 45.75 C ATOM 2054 OD1 ASN X 38 2.227 -18.293 1.289 1.00 43.02 O ATOM 2055 ND2 ASN X 38 1.859 -17.714 -0.859 1.00 41.80 N ATOM 2056 HA ASN X 38 2.628 -16.238 2.915 1.00 0.00 H ATOM 2057 HB2 ASN X 38 1.454 -15.404 0.197 1.00 0.00 H ATOM 2058 HB3 ASN X 38 3.190 -15.597 0.533 1.00 0.00 H ATOM 2059 HD22 ASN X 38 1.757 -16.948 -1.555 1.00 0.00 H ATOM 2060 HD21 ASN X 38 1.776 -18.706 -1.161 1.00 0.00 H ATOM 2061 H ASN X 38 -0.157 -16.219 1.991 1.00 0.00 H ATOM 2062 N GLU X 39 1.063 -13.423 2.371 1.00 45.96 N ATOM 2063 CA GLU X 39 1.149 -11.967 2.304 1.00 45.55 C ATOM 2064 C GLU X 39 0.522 -11.254 3.473 1.00 45.30 C ATOM 2065 O GLU X 39 0.730 -10.044 3.623 1.00 45.36 O ATOM 2066 CB GLU X 39 0.454 -11.440 1.019 1.00 45.94 C ATOM 2067 CG GLU X 39 0.855 -12.185 -0.271 1.00 46.89 C ATOM 2068 CD GLU X 39 2.352 -12.263 -0.519 1.00 48.45 C ATOM 2069 OE1 GLU X 39 3.097 -11.343 -0.116 1.00 47.92 O ATOM 2070 OE2 GLU X 39 2.784 -13.256 -1.158 1.00 47.63 O ATOM 2071 HA GLU X 39 2.218 -11.753 2.310 1.00 0.00 H ATOM 2072 HB2 GLU X 39 -0.624 -11.538 1.149 1.00 0.00 H ATOM 2073 HB3 GLU X 39 0.710 -10.387 0.899 1.00 0.00 H ATOM 2074 HG2 GLU X 39 0.467 -13.202 -0.211 1.00 0.00 H ATOM 2075 HG3 GLU X 39 0.397 -11.672 -1.116 1.00 0.00 H ATOM 2076 H GLU X 39 0.126 -13.870 2.304 1.00 0.00 H ATOM 2077 N LEU X 40 -0.300 -11.959 4.247 1.00 44.38 N ATOM 2078 CA LEU X 40 -0.921 -11.348 5.447 1.00 44.76 C ATOM 2079 C LEU X 40 -0.566 -12.019 6.787 1.00 44.28 C ATOM 2080 O LEU X 40 -1.329 -11.917 7.772 1.00 44.53 O ATOM 2081 CB LEU X 40 -2.444 -11.222 5.279 1.00 44.57 C ATOM 2082 CG LEU X 40 -2.864 -10.196 4.215 1.00 44.60 C ATOM 2083 CD1 LEU X 40 -4.365 -10.277 3.982 1.00 41.64 C ATOM 2084 CD2 LEU X 40 -2.463 -8.756 4.614 1.00 45.62 C ATOM 2085 HA LEU X 40 -0.478 -10.354 5.510 1.00 0.00 H ATOM 2086 HB2 LEU X 40 -2.841 -12.196 4.994 1.00 0.00 H ATOM 2087 HB3 LEU X 40 -2.873 -10.922 6.235 1.00 0.00 H ATOM 2088 HG LEU X 40 -2.338 -10.439 3.292 1.00 0.00 H ATOM 2089 HD21 LEU X 40 -2.948 -8.492 5.554 1.00 0.00 H ATOM 2090 HD22 LEU X 40 -1.381 -8.702 4.734 1.00 0.00 H ATOM 2091 HD23 LEU X 40 -2.779 -8.063 3.834 1.00 0.00 H ATOM 2092 HD11 LEU X 40 -4.625 -11.279 3.639 1.00 0.00 H ATOM 2093 HD12 LEU X 40 -4.888 -10.064 4.914 1.00 0.00 H ATOM 2094 HD13 LEU X 40 -4.654 -9.546 3.226 1.00 0.00 H ATOM 2095 H LEU X 40 -0.509 -12.949 4.008 1.00 0.00 H ATOM 2096 N SER X 41 0.615 -12.642 6.838 1.00 44.12 N ATOM 2097 CA SER X 41 0.995 -13.475 7.964 1.00 44.22 C ATOM 2098 C SER X 41 1.200 -12.713 9.251 1.00 44.66 C ATOM 2099 O SER X 41 1.261 -13.335 10.309 1.00 44.65 O ATOM 2100 CB SER X 41 2.271 -14.310 7.672 1.00 44.67 C ATOM 2101 OG SER X 41 3.367 -13.522 7.220 1.00 42.92 O ATOM 2102 HA SER X 41 0.141 -14.139 8.101 1.00 0.00 H ATOM 2103 HB2 SER X 41 2.035 -15.047 6.905 1.00 0.00 H ATOM 2104 HB3 SER X 41 2.567 -14.822 8.587 1.00 0.00 H ATOM 2105 HG SER X 41 3.115 -13.058 6.383 1.00 0.00 H ATOM 2106 H SER X 41 1.281 -12.527 6.048 1.00 0.00 H ATOM 2107 N HIS X 42 1.355 -11.392 9.175 1.00 44.34 N ATOM 2108 CA HIS X 42 1.518 -10.588 10.391 1.00 45.04 C ATOM 2109 C HIS X 42 0.206 -10.005 10.875 1.00 45.06 C ATOM 2110 O HIS X 42 0.126 -9.474 11.971 1.00 45.18 O ATOM 2111 CB HIS X 42 2.587 -9.499 10.191 1.00 45.59 C ATOM 2112 CG HIS X 42 3.915 -10.059 9.787 1.00 46.63 C ATOM 2113 ND1 HIS X 42 4.355 -10.072 8.480 1.00 47.25 N ATOM 2114 CD2 HIS X 42 4.879 -10.678 10.514 1.00 48.75 C ATOM 2115 CE1 HIS X 42 5.548 -10.640 8.422 1.00 46.97 C ATOM 2116 NE2 HIS X 42 5.882 -11.027 9.640 1.00 48.42 N ATOM 2117 HA HIS X 42 1.866 -11.258 11.178 1.00 0.00 H ATOM 2118 HB2 HIS X 42 2.246 -8.814 9.414 1.00 0.00 H ATOM 2119 HB3 HIS X 42 2.709 -8.953 11.127 1.00 0.00 H ATOM 2120 HD2 HIS X 42 4.862 -10.864 11.588 1.00 0.00 H ATOM 2121 HE1 HIS X 42 6.152 -10.767 7.523 1.00 0.00 H ATOM 2122 H HIS X 42 1.360 -10.927 8.245 1.00 0.00 H ATOM 2123 N PHE X 43 -0.827 -10.120 10.056 1.00 44.31 N ATOM 2124 CA PHE X 43 -2.107 -9.530 10.370 1.00 45.50 C ATOM 2125 C PHE X 43 -3.180 -10.553 10.635 1.00 45.70 C ATOM 2126 O PHE X 43 -4.051 -10.309 11.460 1.00 46.24 O ATOM 2127 CB PHE X 43 -2.587 -8.580 9.264 1.00 45.88 C ATOM 2128 CG PHE X 43 -1.824 -7.280 9.199 1.00 44.99 C ATOM 2129 CD1 PHE X 43 -1.606 -6.521 10.340 1.00 47.07 C ATOM 2130 CD2 PHE X 43 -1.345 -6.811 8.009 1.00 46.77 C ATOM 2131 CE1 PHE X 43 -0.907 -5.325 10.270 1.00 46.99 C ATOM 2132 CE2 PHE X 43 -0.631 -5.605 7.939 1.00 44.84 C ATOM 2133 CZ PHE X 43 -0.412 -4.880 9.063 1.00 45.46 C ATOM 2134 HA PHE X 43 -1.940 -8.965 11.287 1.00 0.00 H ATOM 2135 HB2 PHE X 43 -2.482 -9.088 8.305 1.00 0.00 H ATOM 2136 HB3 PHE X 43 -3.638 -8.352 9.439 1.00 0.00 H ATOM 2137 HD2 PHE X 43 -1.520 -7.383 7.098 1.00 0.00 H ATOM 2138 HE2 PHE X 43 -0.252 -5.251 6.980 1.00 0.00 H ATOM 2139 HZ PHE X 43 0.153 -3.949 9.013 1.00 0.00 H ATOM 2140 HE1 PHE X 43 -0.749 -4.735 11.173 1.00 0.00 H ATOM 2141 HD1 PHE X 43 -1.988 -6.868 11.300 1.00 0.00 H ATOM 2142 H PHE X 43 -0.714 -10.647 9.166 1.00 0.00 H ATOM 2143 N LEU X 44 -3.126 -11.677 9.927 1.00 45.07 N ATOM 2144 CA LEU X 44 -4.169 -12.690 10.016 1.00 45.28 C ATOM 2145 C LEU X 44 -3.584 -14.046 10.342 1.00 45.67 C ATOM 2146 O LEU X 44 -2.498 -14.374 9.881 1.00 44.46 O ATOM 2147 CB LEU X 44 -4.935 -12.801 8.683 1.00 45.27 C ATOM 2148 CG LEU X 44 -5.726 -11.593 8.142 1.00 46.21 C ATOM 2149 CD1 LEU X 44 -6.333 -11.940 6.753 1.00 47.33 C ATOM 2150 CD2 LEU X 44 -6.799 -11.051 9.083 1.00 47.61 C ATOM 2151 HA LEU X 44 -4.848 -12.384 10.812 1.00 0.00 H ATOM 2152 HB2 LEU X 44 -4.202 -13.064 7.920 1.00 0.00 H ATOM 2153 HB3 LEU X 44 -5.648 -13.618 8.797 1.00 0.00 H ATOM 2154 HG LEU X 44 -5.004 -10.782 8.050 1.00 0.00 H ATOM 2155 HD21 LEU X 44 -7.528 -11.835 9.291 1.00 0.00 H ATOM 2156 HD22 LEU X 44 -6.334 -10.729 10.015 1.00 0.00 H ATOM 2157 HD23 LEU X 44 -7.299 -10.204 8.613 1.00 0.00 H ATOM 2158 HD11 LEU X 44 -5.530 -12.186 6.058 1.00 0.00 H ATOM 2159 HD12 LEU X 44 -7.003 -12.794 6.854 1.00 0.00 H ATOM 2160 HD13 LEU X 44 -6.890 -11.082 6.377 1.00 0.00 H ATOM 2161 H LEU X 44 -2.318 -11.837 9.293 1.00 0.00 H ATOM 2162 N GLU X 45 -4.355 -14.851 11.079 1.00 45.82 N ATOM 2163 CA GLU X 45 -3.978 -16.229 11.438 1.00 47.58 C ATOM 2164 C GLU X 45 -3.807 -17.040 10.166 1.00 46.00 C ATOM 2165 O GLU X 45 -4.587 -16.886 9.236 1.00 45.96 O ATOM 2166 CB GLU X 45 -5.088 -16.842 12.305 1.00 47.83 C ATOM 2167 CG GLU X 45 -4.770 -18.168 12.970 1.00 51.50 C ATOM 2168 CD GLU X 45 -5.823 -18.568 14.023 1.00 52.59 C ATOM 2169 OE1 GLU X 45 -6.121 -17.767 14.953 1.00 56.82 O ATOM 2170 OE2 GLU X 45 -6.340 -19.703 13.923 1.00 60.77 O ATOM 2171 HA GLU X 45 -3.042 -16.231 11.997 1.00 0.00 H ATOM 2172 HB2 GLU X 45 -5.329 -16.126 13.091 1.00 0.00 H ATOM 2173 HB3 GLU X 45 -5.961 -16.990 11.670 1.00 0.00 H ATOM 2174 HG2 GLU X 45 -4.729 -18.943 12.204 1.00 0.00 H ATOM 2175 HG3 GLU X 45 -3.799 -18.090 13.458 1.00 0.00 H ATOM 2176 H GLU X 45 -5.268 -14.486 11.417 1.00 0.00 H ATOM 2177 N GLU X 46 -2.757 -17.845 10.095 1.00 44.55 N ATOM 2178 CA GLU X 46 -2.581 -18.761 8.990 1.00 43.88 C ATOM 2179 C GLU X 46 -3.836 -19.616 8.870 1.00 43.24 C ATOM 2180 O GLU X 46 -4.337 -20.102 9.871 1.00 43.60 O ATOM 2181 CB GLU X 46 -1.383 -19.671 9.254 1.00 43.64 C ATOM 2182 CG GLU X 46 -0.972 -20.470 8.028 1.00 45.15 C ATOM 2183 CD GLU X 46 0.080 -21.497 8.322 1.00 45.90 C ATOM 2184 OE1 GLU X 46 0.540 -21.554 9.475 1.00 45.87 O ATOM 2185 OE2 GLU X 46 0.438 -22.260 7.406 1.00 46.21 O ATOM 2186 HA GLU X 46 -2.408 -18.200 8.071 1.00 0.00 H ATOM 2187 HB2 GLU X 46 -0.540 -19.056 9.568 1.00 0.00 H ATOM 2188 HB3 GLU X 46 -1.642 -20.366 10.053 1.00 0.00 H ATOM 2189 HG2 GLU X 46 -1.852 -20.977 7.633 1.00 0.00 H ATOM 2190 HG3 GLU X 46 -0.584 -19.781 7.278 1.00 0.00 H ATOM 2191 H GLU X 46 -2.043 -17.817 10.851 1.00 0.00 H ATOM 2192 N ILE X 47 -4.334 -19.792 7.650 1.00 42.53 N ATOM 2193 CA ILE X 47 -5.533 -20.583 7.415 1.00 43.29 C ATOM 2194 C ILE X 47 -5.110 -22.028 7.187 1.00 42.50 C ATOM 2195 O ILE X 47 -4.384 -22.296 6.235 1.00 42.41 O ATOM 2196 CB ILE X 47 -6.319 -20.078 6.165 1.00 43.02 C ATOM 2197 CG1 ILE X 47 -6.963 -18.712 6.458 1.00 44.53 C ATOM 2198 CG2 ILE X 47 -7.354 -21.131 5.755 1.00 44.49 C ATOM 2199 CD1 ILE X 47 -7.594 -18.019 5.259 1.00 44.55 C ATOM 2200 HA ILE X 47 -6.189 -20.493 8.281 1.00 0.00 H ATOM 2201 HB ILE X 47 -5.636 -19.936 5.328 1.00 0.00 H ATOM 2202 HG12 ILE X 47 -7.739 -18.860 7.209 1.00 0.00 H ATOM 2203 HG13 ILE X 47 -6.191 -18.055 6.859 1.00 0.00 H ATOM 2204 HD11 ILE X 47 -6.832 -17.846 4.499 1.00 0.00 H ATOM 2205 HD12 ILE X 47 -8.382 -18.651 4.849 1.00 0.00 H ATOM 2206 HD13 ILE X 47 -8.019 -17.066 5.574 1.00 0.00 H ATOM 2207 HG21 ILE X 47 -6.845 -22.064 5.513 1.00 0.00 H ATOM 2208 HG22 ILE X 47 -8.048 -21.297 6.579 1.00 0.00 H ATOM 2209 HG23 ILE X 47 -7.903 -20.778 4.882 1.00 0.00 H ATOM 2210 H ILE X 47 -3.853 -19.352 6.840 1.00 0.00 H ATOM 2211 N LYS X 48 -5.576 -22.956 8.026 1.00 41.80 N ATOM 2212 CA LYS X 48 -5.109 -24.352 7.944 1.00 43.09 C ATOM 2213 C LYS X 48 -6.232 -25.340 7.709 1.00 43.60 C ATOM 2214 O LYS X 48 -6.019 -26.551 7.820 1.00 44.35 O ATOM 2215 CB LYS X 48 -4.412 -24.793 9.245 1.00 41.99 C ATOM 2216 CG LYS X 48 -3.129 -24.118 9.535 1.00 42.64 C ATOM 2217 CD LYS X 48 -2.403 -24.825 10.683 1.00 48.10 C ATOM 2218 CE LYS X 48 -1.441 -23.871 11.363 1.00 49.31 C ATOM 2219 NZ LYS X 48 -0.906 -24.429 12.651 1.00 50.06 N ATOM 2220 HA LYS X 48 -4.421 -24.361 7.098 1.00 0.00 H ATOM 2221 HB2 LYS X 48 -5.091 -24.596 10.075 1.00 0.00 H ATOM 2222 HB3 LYS X 48 -4.222 -25.864 9.179 1.00 0.00 H ATOM 2223 HG2 LYS X 48 -2.501 -24.141 8.644 1.00 0.00 H ATOM 2224 HG3 LYS X 48 -3.323 -23.083 9.815 1.00 0.00 H ATOM 2225 HD2 LYS X 48 -3.135 -25.177 11.410 1.00 0.00 H ATOM 2226 HD3 LYS X 48 -1.848 -25.676 10.288 1.00 0.00 H ATOM 2227 HE2 LYS X 48 -1.962 -22.937 11.574 1.00 0.00 H ATOM 2228 HE3 LYS X 48 -0.606 -23.675 10.691 1.00 0.00 H ATOM 2229 HZ1 LYS X 48 -1.696 -24.612 13.303 1.00 0.00 H ATOM 2230 HZ2 LYS X 48 -0.400 -25.317 12.459 1.00 0.00 H ATOM 2231 HZ3 LYS X 48 -0.253 -23.743 13.080 1.00 0.00 H ATOM 2232 H LYS X 48 -6.277 -22.691 8.747 1.00 0.00 H ATOM 2233 N GLU X 49 -7.421 -24.836 7.435 1.00 43.76 N ATOM 2234 CA GLU X 49 -8.599 -25.679 7.428 1.00 44.85 C ATOM 2235 C GLU X 49 -9.563 -25.265 6.369 1.00 43.89 C ATOM 2236 O GLU X 49 -9.819 -24.085 6.223 1.00 43.88 O ATOM 2237 CB GLU X 49 -9.336 -25.494 8.727 1.00 45.17 C ATOM 2238 CG GLU X 49 -8.594 -25.969 9.891 1.00 48.85 C ATOM 2239 CD GLU X 49 -9.518 -26.589 10.807 1.00 52.93 C ATOM 2240 OE1 GLU X 49 -9.612 -27.843 10.769 1.00 56.49 O ATOM 2241 OE2 GLU X 49 -10.201 -25.809 11.505 1.00 55.88 O ATOM 2242 HA GLU X 49 -8.262 -26.703 7.264 1.00 0.00 H ATOM 2243 HB2 GLU X 49 -9.542 -24.432 8.859 1.00 0.00 H ATOM 2244 HB3 GLU X 49 -10.277 -26.041 8.671 1.00 0.00 H ATOM 2245 HG2 GLU X 49 -7.845 -26.696 9.577 1.00 0.00 H ATOM 2246 HG3 GLU X 49 -8.101 -25.129 10.380 1.00 0.00 H ATOM 2247 H GLU X 49 -7.513 -23.822 7.222 1.00 0.00 H ATOM 2248 N GLN X 50 -10.183 -26.237 5.708 1.00 43.34 N ATOM 2249 CA GLN X 50 -11.145 -25.908 4.663 1.00 44.08 C ATOM 2250 C GLN X 50 -12.305 -25.042 5.174 1.00 43.49 C ATOM 2251 O GLN X 50 -12.767 -24.154 4.469 1.00 43.91 O ATOM 2252 CB GLN X 50 -11.695 -27.180 4.018 1.00 43.92 C ATOM 2253 CG GLN X 50 -12.509 -26.902 2.749 1.00 44.98 C ATOM 2254 CD GLN X 50 -11.665 -26.346 1.609 1.00 44.46 C ATOM 2255 OE1 GLN X 50 -10.672 -26.950 1.194 1.00 47.40 O ATOM 2256 NE2 GLN X 50 -12.081 -25.233 1.072 1.00 39.48 N ATOM 2257 HA GLN X 50 -10.605 -25.323 3.919 1.00 0.00 H ATOM 2258 HB2 GLN X 50 -10.858 -27.829 3.760 1.00 0.00 H ATOM 2259 HB3 GLN X 50 -12.337 -27.686 4.739 1.00 0.00 H ATOM 2260 HG2 GLN X 50 -12.968 -27.834 2.419 1.00 0.00 H ATOM 2261 HG3 GLN X 50 -13.289 -26.179 2.988 1.00 0.00 H ATOM 2262 HE22 GLN X 50 -12.923 -24.755 1.452 1.00 0.00 H ATOM 2263 HE21 GLN X 50 -11.571 -24.823 0.264 1.00 0.00 H ATOM 2264 H GLN X 50 -9.982 -27.232 5.936 1.00 0.00 H ATOM 2265 N GLU X 51 -12.797 -25.302 6.384 1.00 43.59 N ATOM 2266 CA GLU X 51 -13.953 -24.543 6.841 1.00 44.43 C ATOM 2267 C GLU X 51 -13.654 -23.061 7.061 1.00 44.49 C ATOM 2268 O GLU X 51 -14.530 -22.234 6.871 1.00 45.48 O ATOM 2269 CB GLU X 51 -14.681 -25.215 8.011 1.00 45.00 C ATOM 2270 CG GLU X 51 -14.200 -24.879 9.367 1.00 47.78 C ATOM 2271 CD GLU X 51 -15.071 -25.534 10.430 1.00 49.94 C ATOM 2272 OE1 GLU X 51 -14.940 -26.758 10.641 1.00 50.12 O ATOM 2273 OE2 GLU X 51 -15.906 -24.831 11.040 1.00 51.74 O ATOM 2274 HA GLU X 51 -14.667 -24.558 6.018 1.00 0.00 H ATOM 2275 HB2 GLU X 51 -15.732 -24.933 7.953 1.00 0.00 H ATOM 2276 HB3 GLU X 51 -14.588 -26.294 7.884 1.00 0.00 H ATOM 2277 HG2 GLU X 51 -13.174 -25.230 9.479 1.00 0.00 H ATOM 2278 HG3 GLU X 51 -14.229 -23.797 9.498 1.00 0.00 H ATOM 2279 H GLU X 51 -12.366 -26.030 6.989 1.00 0.00 H ATOM 2280 N VAL X 52 -12.408 -22.726 7.383 1.00 43.79 N ATOM 2281 CA VAL X 52 -11.999 -21.316 7.502 1.00 43.98 C ATOM 2282 C VAL X 52 -11.851 -20.652 6.113 1.00 45.28 C ATOM 2283 O VAL X 52 -12.337 -19.539 5.902 1.00 45.84 O ATOM 2284 CB VAL X 52 -10.731 -21.173 8.408 1.00 42.93 C ATOM 2285 CG1 VAL X 52 -10.209 -19.697 8.444 1.00 42.64 C ATOM 2286 CG2 VAL X 52 -11.048 -21.689 9.826 1.00 42.22 C ATOM 2287 HA VAL X 52 -12.792 -20.765 8.007 1.00 0.00 H ATOM 2288 HB VAL X 52 -9.931 -21.778 7.982 1.00 0.00 H ATOM 2289 HG11 VAL X 52 -9.948 -19.381 7.434 1.00 0.00 H ATOM 2290 HG12 VAL X 52 -10.989 -19.047 8.839 1.00 0.00 H ATOM 2291 HG13 VAL X 52 -9.328 -19.640 9.083 1.00 0.00 H ATOM 2292 HG21 VAL X 52 -11.865 -21.105 10.250 1.00 0.00 H ATOM 2293 HG22 VAL X 52 -11.340 -22.738 9.773 1.00 0.00 H ATOM 2294 HG23 VAL X 52 -10.163 -21.588 10.454 1.00 0.00 H ATOM 2295 H VAL X 52 -11.708 -23.475 7.554 1.00 0.00 H ATOM 2296 N VAL X 53 -11.234 -21.358 5.162 1.00 45.96 N ATOM 2297 CA VAL X 53 -11.167 -20.922 3.753 1.00 47.23 C ATOM 2298 C VAL X 53 -12.610 -20.599 3.267 1.00 46.62 C ATOM 2299 O VAL X 53 -12.894 -19.503 2.737 1.00 45.91 O ATOM 2300 CB VAL X 53 -10.595 -22.101 2.867 1.00 48.78 C ATOM 2301 CG1 VAL X 53 -10.695 -21.823 1.386 1.00 49.47 C ATOM 2302 CG2 VAL X 53 -9.139 -22.479 3.250 1.00 51.07 C ATOM 2303 HA VAL X 53 -10.525 -20.046 3.667 1.00 0.00 H ATOM 2304 HB VAL X 53 -11.232 -22.958 3.084 1.00 0.00 H ATOM 2305 HG11 VAL X 53 -11.741 -21.679 1.114 1.00 0.00 H ATOM 2306 HG12 VAL X 53 -10.129 -20.922 1.148 1.00 0.00 H ATOM 2307 HG13 VAL X 53 -10.287 -22.668 0.831 1.00 0.00 H ATOM 2308 HG21 VAL X 53 -8.492 -21.612 3.115 1.00 0.00 H ATOM 2309 HG22 VAL X 53 -9.110 -22.797 4.292 1.00 0.00 H ATOM 2310 HG23 VAL X 53 -8.796 -23.293 2.611 1.00 0.00 H ATOM 2311 H VAL X 53 -10.780 -22.256 5.426 1.00 0.00 H ATOM 2312 N ASP X 54 -13.510 -21.564 3.457 1.00 45.26 N ATOM 2313 CA ASP X 54 -14.893 -21.416 3.068 1.00 44.40 C ATOM 2314 C ASP X 54 -15.544 -20.181 3.702 1.00 44.88 C ATOM 2315 O ASP X 54 -16.170 -19.399 3.004 1.00 44.84 O ATOM 2316 CB ASP X 54 -15.689 -22.686 3.407 1.00 43.58 C ATOM 2317 CG ASP X 54 -15.280 -23.905 2.541 1.00 43.34 C ATOM 2318 OD1 ASP X 54 -14.465 -23.759 1.615 1.00 45.10 O ATOM 2319 OD2 ASP X 54 -15.761 -25.014 2.799 1.00 37.49 O ATOM 2320 HA ASP X 54 -14.911 -21.268 1.988 1.00 0.00 H ATOM 2321 HB2 ASP X 54 -15.521 -22.932 4.455 1.00 0.00 H ATOM 2322 HB3 ASP X 54 -16.748 -22.486 3.247 1.00 0.00 H ATOM 2323 H ASP X 54 -13.206 -22.454 3.901 1.00 0.00 H ATOM 2324 N LYS X 55 -15.396 -20.009 5.015 1.00 44.98 N ATOM 2325 CA LYS X 55 -16.043 -18.889 5.736 1.00 44.62 C ATOM 2326 C LYS X 55 -15.517 -17.518 5.289 1.00 45.25 C ATOM 2327 O LYS X 55 -16.288 -16.572 5.145 1.00 42.71 O ATOM 2328 CB LYS X 55 -15.875 -19.027 7.261 1.00 45.40 C ATOM 2329 CG LYS X 55 -16.831 -18.101 8.084 1.00 45.56 C ATOM 2330 CD LYS X 55 -18.265 -18.663 8.027 1.00 47.06 C ATOM 2331 CE LYS X 55 -19.326 -17.607 8.316 1.00 49.56 C ATOM 2332 NZ LYS X 55 -20.712 -18.168 8.136 1.00 50.26 N ATOM 2333 HA LYS X 55 -17.102 -18.945 5.484 1.00 0.00 H ATOM 2334 HB2 LYS X 55 -16.075 -20.062 7.538 1.00 0.00 H ATOM 2335 HB3 LYS X 55 -14.846 -18.776 7.519 1.00 0.00 H ATOM 2336 HG2 LYS X 55 -16.496 -18.062 9.121 1.00 0.00 H ATOM 2337 HG3 LYS X 55 -16.817 -17.096 7.661 1.00 0.00 H ATOM 2338 HD2 LYS X 55 -18.440 -19.070 7.031 1.00 0.00 H ATOM 2339 HD3 LYS X 55 -18.357 -19.460 8.765 1.00 0.00 H ATOM 2340 HE2 LYS X 55 -19.190 -16.768 7.633 1.00 0.00 H ATOM 2341 HE3 LYS X 55 -19.213 -17.260 9.343 1.00 0.00 H ATOM 2342 HZ1 LYS X 55 -20.827 -18.497 7.156 1.00 0.00 H ATOM 2343 HZ2 LYS X 55 -20.849 -18.966 8.789 1.00 0.00 H ATOM 2344 HZ3 LYS X 55 -21.413 -17.428 8.339 1.00 0.00 H ATOM 2345 H LYS X 55 -14.809 -20.681 5.549 1.00 0.00 H ATOM 2346 N VAL X 56 -14.196 -17.421 5.110 1.00 45.60 N ATOM 2347 CA VAL X 56 -13.585 -16.177 4.656 1.00 46.26 C ATOM 2348 C VAL X 56 -14.106 -15.810 3.267 1.00 45.85 C ATOM 2349 O VAL X 56 -14.536 -14.660 3.036 1.00 46.07 O ATOM 2350 CB VAL X 56 -12.020 -16.242 4.668 1.00 46.42 C ATOM 2351 CG1 VAL X 56 -11.421 -14.973 4.056 1.00 47.22 C ATOM 2352 CG2 VAL X 56 -11.496 -16.379 6.096 1.00 46.67 C ATOM 2353 HA VAL X 56 -13.871 -15.396 5.360 1.00 0.00 H ATOM 2354 HB VAL X 56 -11.725 -17.111 4.080 1.00 0.00 H ATOM 2355 HG11 VAL X 56 -11.762 -14.872 3.026 1.00 0.00 H ATOM 2356 HG12 VAL X 56 -11.743 -14.106 4.633 1.00 0.00 H ATOM 2357 HG13 VAL X 56 -10.333 -15.041 4.075 1.00 0.00 H ATOM 2358 HG21 VAL X 56 -11.818 -15.519 6.684 1.00 0.00 H ATOM 2359 HG22 VAL X 56 -11.890 -17.293 6.540 1.00 0.00 H ATOM 2360 HG23 VAL X 56 -10.407 -16.422 6.079 1.00 0.00 H ATOM 2361 H VAL X 56 -13.593 -18.247 5.298 1.00 0.00 H ATOM 2362 N MET X 57 -14.062 -16.766 2.336 1.00 45.75 N ATOM 2363 CA MET X 57 -14.658 -16.528 1.029 1.00 45.62 C ATOM 2364 C MET X 57 -16.131 -16.145 1.153 1.00 46.12 C ATOM 2365 O MET X 57 -16.568 -15.214 0.491 1.00 46.16 O ATOM 2366 CB MET X 57 -14.500 -17.734 0.104 1.00 45.32 C ATOM 2367 CG MET X 57 -15.149 -17.497 -1.268 1.00 45.02 C ATOM 2368 SD MET X 57 -14.264 -16.169 -2.162 1.00 46.19 S ATOM 2369 CE MET X 57 -12.833 -17.079 -2.751 1.00 45.29 C ATOM 2370 HA MET X 57 -14.119 -15.691 0.584 1.00 0.00 H ATOM 2371 HB2 MET X 57 -13.438 -17.932 -0.039 1.00 0.00 H ATOM 2372 HB3 MET X 57 -14.970 -18.600 0.571 1.00 0.00 H ATOM 2373 HG2 MET X 57 -16.190 -17.206 -1.129 1.00 0.00 H ATOM 2374 HG3 MET X 57 -15.105 -18.416 -1.852 1.00 0.00 H ATOM 2375 HE1 MET X 57 -12.283 -17.480 -1.899 1.00 0.00 H ATOM 2376 HE2 MET X 57 -13.163 -17.898 -3.391 1.00 0.00 H ATOM 2377 HE3 MET X 57 -12.187 -16.410 -3.319 1.00 0.00 H ATOM 2378 H MET X 57 -13.604 -17.676 2.543 1.00 0.00 H ATOM 2379 N GLU X 58 -16.909 -16.870 1.976 1.00 47.08 N ATOM 2380 CA GLU X 58 -18.332 -16.524 2.209 1.00 47.37 C ATOM 2381 C GLU X 58 -18.499 -15.053 2.603 1.00 47.10 C ATOM 2382 O GLU X 58 -19.398 -14.344 2.138 1.00 46.70 O ATOM 2383 CB GLU X 58 -18.946 -17.387 3.330 1.00 47.14 C ATOM 2384 CG GLU X 58 -20.413 -17.004 3.600 1.00 48.99 C ATOM 2385 CD GLU X 58 -21.110 -17.828 4.687 1.00 49.41 C ATOM 2386 OE1 GLU X 58 -21.313 -17.295 5.787 1.00 52.18 O ATOM 2387 OE2 GLU X 58 -21.469 -18.987 4.447 1.00 50.73 O ATOM 2388 HA GLU X 58 -18.847 -16.714 1.267 1.00 0.00 H ATOM 2389 HB2 GLU X 58 -18.902 -18.435 3.034 1.00 0.00 H ATOM 2390 HB3 GLU X 58 -18.369 -17.244 4.243 1.00 0.00 H ATOM 2391 HG2 GLU X 58 -20.439 -15.957 3.901 1.00 0.00 H ATOM 2392 HG3 GLU X 58 -20.971 -17.128 2.672 1.00 0.00 H ATOM 2393 H GLU X 58 -16.502 -17.695 2.462 1.00 0.00 H ATOM 2394 N THR X 59 -17.614 -14.616 3.479 1.00 47.24 N ATOM 2395 CA THR X 59 -17.604 -13.246 3.988 1.00 47.07 C ATOM 2396 C THR X 59 -17.269 -12.201 2.902 1.00 46.69 C ATOM 2397 O THR X 59 -17.981 -11.187 2.781 1.00 46.35 O ATOM 2398 CB THR X 59 -16.635 -13.175 5.165 1.00 47.98 C ATOM 2399 OG1 THR X 59 -17.047 -14.157 6.135 1.00 50.26 O ATOM 2400 CG2 THR X 59 -16.613 -11.790 5.802 1.00 47.14 C ATOM 2401 HA THR X 59 -18.610 -12.991 4.322 1.00 0.00 H ATOM 2402 HB THR X 59 -15.625 -13.376 4.808 1.00 0.00 H ATOM 2403 HG1 THR X 59 -17.022 -15.057 5.723 1.00 0.00 H ATOM 2404 HG23 THR X 59 -16.300 -11.055 5.060 1.00 0.00 H ATOM 2405 HG21 THR X 59 -17.611 -11.542 6.163 1.00 0.00 H ATOM 2406 HG22 THR X 59 -15.912 -11.786 6.637 1.00 0.00 H ATOM 2407 H THR X 59 -16.889 -15.278 3.823 1.00 0.00 H ATOM 2408 N LEU X 60 -16.249 -12.469 2.078 1.00 45.66 N ATOM 2409 CA LEU X 60 -15.751 -11.485 1.106 1.00 45.21 C ATOM 2410 C LEU X 60 -16.573 -11.420 -0.186 1.00 45.02 C ATOM 2411 O LEU X 60 -16.531 -10.428 -0.923 1.00 43.39 O ATOM 2412 CB LEU X 60 -14.274 -11.774 0.766 1.00 45.92 C ATOM 2413 CG LEU X 60 -13.301 -11.831 1.936 1.00 45.39 C ATOM 2414 CD1 LEU X 60 -11.875 -11.937 1.396 1.00 45.98 C ATOM 2415 CD2 LEU X 60 -13.475 -10.557 2.833 1.00 45.42 C ATOM 2416 HA LEU X 60 -15.849 -10.512 1.587 1.00 0.00 H ATOM 2417 HB2 LEU X 60 -14.234 -12.737 0.256 1.00 0.00 H ATOM 2418 HB3 LEU X 60 -13.931 -10.991 0.089 1.00 0.00 H ATOM 2419 HG LEU X 60 -13.506 -12.706 2.552 1.00 0.00 H ATOM 2420 HD21 LEU X 60 -13.274 -9.666 2.239 1.00 0.00 H ATOM 2421 HD22 LEU X 60 -14.496 -10.519 3.213 1.00 0.00 H ATOM 2422 HD23 LEU X 60 -12.776 -10.604 3.668 1.00 0.00 H ATOM 2423 HD11 LEU X 60 -11.781 -12.842 0.796 1.00 0.00 H ATOM 2424 HD12 LEU X 60 -11.656 -11.066 0.778 1.00 0.00 H ATOM 2425 HD13 LEU X 60 -11.174 -11.978 2.230 1.00 0.00 H ATOM 2426 H LEU X 60 -15.794 -13.403 2.127 1.00 0.00 H ATOM 2427 N ASP X 61 -17.319 -12.493 -0.436 1.00 44.18 N ATOM 2428 CA ASP X 61 -18.012 -12.733 -1.695 1.00 44.77 C ATOM 2429 C ASP X 61 -19.375 -12.050 -1.712 1.00 44.57 C ATOM 2430 O ASP X 61 -20.412 -12.712 -1.621 1.00 44.23 O ATOM 2431 CB ASP X 61 -18.187 -14.246 -1.907 1.00 43.59 C ATOM 2432 CG ASP X 61 -18.764 -14.596 -3.256 1.00 45.96 C ATOM 2433 OD1 ASP X 61 -18.631 -13.784 -4.194 1.00 46.55 O ATOM 2434 OD2 ASP X 61 -19.345 -15.706 -3.378 1.00 46.18 O ATOM 2435 HA ASP X 61 -17.411 -12.314 -2.502 1.00 0.00 H ATOM 2436 HB2 ASP X 61 -17.212 -14.724 -1.813 1.00 0.00 H ATOM 2437 HB3 ASP X 61 -18.854 -14.629 -1.135 1.00 0.00 H ATOM 2438 H ASP X 61 -17.413 -13.206 0.315 1.00 0.00 H ATOM 2439 N SER X 62 -19.369 -10.727 -1.860 1.00 44.98 N ATOM 2440 CA SER X 62 -20.607 -9.927 -1.845 1.00 44.62 C ATOM 2441 C SER X 62 -21.563 -10.247 -2.966 1.00 45.43 C ATOM 2442 O SER X 62 -22.790 -10.151 -2.784 1.00 45.51 O ATOM 2443 CB SER X 62 -20.283 -8.431 -1.888 1.00 44.44 C ATOM 2444 OG SER X 62 -19.382 -8.133 -0.856 1.00 44.80 O ATOM 2445 HA SER X 62 -21.105 -10.192 -0.912 1.00 0.00 H ATOM 2446 HB2 SER X 62 -21.198 -7.854 -1.754 1.00 0.00 H ATOM 2447 HB3 SER X 62 -19.835 -8.181 -2.850 1.00 0.00 H ATOM 2448 HG SER X 62 -19.167 -7.167 -0.876 1.00 0.00 H ATOM 2449 H SER X 62 -18.459 -10.241 -1.991 1.00 0.00 H ATOM 2450 N ASP X 63 -21.038 -10.582 -4.142 1.00 45.70 N ATOM 2451 CA ASP X 63 -21.967 -10.863 -5.253 1.00 46.48 C ATOM 2452 C ASP X 63 -22.336 -12.348 -5.306 1.00 46.11 C ATOM 2453 O ASP X 63 -23.062 -12.768 -6.173 1.00 46.32 O ATOM 2454 CB ASP X 63 -21.460 -10.316 -6.609 1.00 46.52 C ATOM 2455 CG ASP X 63 -20.168 -10.975 -7.084 1.00 47.90 C ATOM 2456 OD1 ASP X 63 -19.829 -12.094 -6.638 1.00 48.46 O ATOM 2457 OD2 ASP X 63 -19.479 -10.368 -7.923 1.00 49.40 O ATOM 2458 HA ASP X 63 -22.888 -10.316 -5.050 1.00 0.00 H ATOM 2459 HB2 ASP X 63 -22.231 -10.486 -7.360 1.00 0.00 H ATOM 2460 HB3 ASP X 63 -21.284 -9.245 -6.506 1.00 0.00 H ATOM 2461 H ASP X 63 -20.008 -10.644 -4.273 1.00 0.00 H ATOM 2462 N GLY X 64 -21.809 -13.144 -4.377 1.00 45.94 N ATOM 2463 CA GLY X 64 -22.216 -14.554 -4.257 1.00 45.78 C ATOM 2464 C GLY X 64 -21.893 -15.492 -5.414 1.00 45.85 C ATOM 2465 O GLY X 64 -22.588 -16.493 -5.603 1.00 45.59 O ATOM 2466 HA3 GLY X 64 -23.297 -14.569 -4.119 1.00 0.00 H ATOM 2467 HA2 GLY X 64 -21.732 -14.957 -3.368 1.00 0.00 H ATOM 2468 H GLY X 64 -21.096 -12.762 -3.723 1.00 0.00 H ATOM 2469 N ASP X 65 -20.851 -15.181 -6.187 1.00 45.59 N ATOM 2470 CA ASP X 65 -20.426 -16.032 -7.315 1.00 45.49 C ATOM 2471 C ASP X 65 -19.332 -17.062 -6.933 1.00 45.39 C ATOM 2472 O ASP X 65 -18.809 -17.781 -7.777 1.00 45.84 O ATOM 2473 CB ASP X 65 -19.964 -15.165 -8.504 1.00 45.35 C ATOM 2474 CG ASP X 65 -18.633 -14.446 -8.246 1.00 46.42 C ATOM 2475 OD1 ASP X 65 -18.154 -14.416 -7.102 1.00 47.17 O ATOM 2476 OD2 ASP X 65 -18.045 -13.889 -9.193 1.00 47.18 O ATOM 2477 HA ASP X 65 -21.302 -16.611 -7.608 1.00 0.00 H ATOM 2478 HB2 ASP X 65 -19.848 -15.807 -9.377 1.00 0.00 H ATOM 2479 HB3 ASP X 65 -20.730 -14.416 -8.705 1.00 0.00 H ATOM 2480 H ASP X 65 -20.320 -14.309 -5.988 1.00 0.00 H ATOM 2481 N GLY X 66 -18.974 -17.128 -5.663 1.00 45.18 N ATOM 2482 CA GLY X 66 -18.024 -18.145 -5.225 1.00 45.14 C ATOM 2483 C GLY X 66 -16.563 -17.708 -5.170 1.00 45.37 C ATOM 2484 O GLY X 66 -15.732 -18.434 -4.617 1.00 45.78 O ATOM 2485 HA3 GLY X 66 -18.096 -18.988 -5.912 1.00 0.00 H ATOM 2486 HA2 GLY X 66 -18.315 -18.467 -4.225 1.00 0.00 H ATOM 2487 H GLY X 66 -19.369 -16.455 -4.976 1.00 0.00 H ATOM 2488 N GLU X 67 -16.246 -16.535 -5.718 1.00 45.28 N ATOM 2489 CA GLU X 67 -14.846 -16.064 -5.830 1.00 45.34 C ATOM 2490 C GLU X 67 -14.758 -14.634 -5.371 1.00 45.01 C ATOM 2491 O GLU X 67 -15.786 -13.995 -5.150 1.00 45.52 O ATOM 2492 CB GLU X 67 -14.348 -16.153 -7.280 1.00 44.94 C ATOM 2493 CG GLU X 67 -14.473 -17.559 -7.876 1.00 45.39 C ATOM 2494 CD GLU X 67 -13.473 -17.864 -8.979 1.00 47.05 C ATOM 2495 OE1 GLU X 67 -12.478 -17.126 -9.138 1.00 45.88 O ATOM 2496 OE2 GLU X 67 -13.667 -18.886 -9.667 1.00 48.82 O ATOM 2497 HA GLU X 67 -14.222 -16.702 -5.204 1.00 0.00 H ATOM 2498 HB2 GLU X 67 -14.933 -15.465 -7.890 1.00 0.00 H ATOM 2499 HB3 GLU X 67 -13.299 -15.858 -7.305 1.00 0.00 H ATOM 2500 HG2 GLU X 67 -14.329 -18.284 -7.075 1.00 0.00 H ATOM 2501 HG3 GLU X 67 -15.477 -17.668 -8.286 1.00 0.00 H ATOM 2502 H GLU X 67 -17.009 -15.928 -6.080 1.00 0.00 H ATOM 2503 N CYS X 68 -13.532 -14.138 -5.231 1.00 45.34 N ATOM 2504 CA CYS X 68 -13.275 -12.789 -4.754 1.00 45.05 C ATOM 2505 C CYS X 68 -12.762 -11.968 -5.924 1.00 45.03 C ATOM 2506 O CYS X 68 -11.641 -12.199 -6.387 1.00 45.31 O ATOM 2507 CB CYS X 68 -12.234 -12.807 -3.610 1.00 45.24 C ATOM 2508 SG CYS X 68 -11.999 -11.141 -2.864 1.00 45.71 S ATOM 2509 HA CYS X 68 -14.192 -12.351 -4.359 1.00 0.00 H ATOM 2510 HB2 CYS X 68 -11.280 -13.152 -4.008 1.00 0.00 H ATOM 2511 HB3 CYS X 68 -12.574 -13.495 -2.836 1.00 0.00 H ATOM 2512 HG CYS X 68 -11.559 -10.263 -3.833 1.00 0.00 H ATOM 2513 H CYS X 68 -12.721 -14.742 -5.474 1.00 0.00 H ATOM 2514 N ASP X 69 -13.572 -11.039 -6.428 1.00 44.94 N ATOM 2515 CA ASP X 69 -13.114 -10.168 -7.538 1.00 44.91 C ATOM 2516 C ASP X 69 -12.322 -8.982 -7.025 1.00 44.94 C ATOM 2517 O ASP X 69 -12.051 -8.899 -5.821 1.00 44.96 O ATOM 2518 CB ASP X 69 -14.261 -9.736 -8.480 1.00 45.27 C ATOM 2519 CG ASP X 69 -15.290 -8.841 -7.805 1.00 46.21 C ATOM 2520 OD1 ASP X 69 -15.033 -8.254 -6.713 1.00 46.04 O ATOM 2521 OD2 ASP X 69 -16.375 -8.716 -8.398 1.00 44.05 O ATOM 2522 HA ASP X 69 -12.441 -10.773 -8.146 1.00 0.00 H ATOM 2523 HB2 ASP X 69 -13.831 -9.195 -9.323 1.00 0.00 H ATOM 2524 HB3 ASP X 69 -14.766 -10.631 -8.844 1.00 0.00 H ATOM 2525 H ASP X 69 -14.531 -10.923 -6.041 1.00 0.00 H ATOM 2526 N PHE X 70 -11.927 -8.076 -7.916 1.00 44.14 N ATOM 2527 CA PHE X 70 -11.043 -6.992 -7.493 1.00 44.42 C ATOM 2528 C PHE X 70 -11.701 -6.046 -6.469 1.00 44.81 C ATOM 2529 O PHE X 70 -11.078 -5.692 -5.463 1.00 44.28 O ATOM 2530 CB PHE X 70 -10.454 -6.218 -8.671 1.00 44.36 C ATOM 2531 CG PHE X 70 -9.459 -5.171 -8.255 1.00 46.14 C ATOM 2532 CD1 PHE X 70 -8.163 -5.529 -7.866 1.00 47.79 C ATOM 2533 CD2 PHE X 70 -9.819 -3.822 -8.212 1.00 47.79 C ATOM 2534 CE1 PHE X 70 -7.237 -4.554 -7.458 1.00 48.65 C ATOM 2535 CE2 PHE X 70 -8.892 -2.845 -7.808 1.00 45.55 C ATOM 2536 CZ PHE X 70 -7.605 -3.214 -7.436 1.00 45.75 C ATOM 2537 HA PHE X 70 -10.212 -7.479 -6.983 1.00 0.00 H ATOM 2538 HB2 PHE X 70 -9.956 -6.924 -9.336 1.00 0.00 H ATOM 2539 HB3 PHE X 70 -11.268 -5.729 -9.206 1.00 0.00 H ATOM 2540 HD2 PHE X 70 -10.829 -3.524 -8.494 1.00 0.00 H ATOM 2541 HE2 PHE X 70 -9.184 -1.795 -7.787 1.00 0.00 H ATOM 2542 HZ PHE X 70 -6.886 -2.455 -7.128 1.00 0.00 H ATOM 2543 HE1 PHE X 70 -6.231 -4.848 -7.159 1.00 0.00 H ATOM 2544 HD1 PHE X 70 -7.868 -6.578 -7.880 1.00 0.00 H ATOM 2545 H PHE X 70 -12.245 -8.139 -8.904 1.00 0.00 H ATOM 2546 N GLN X 71 -12.961 -5.685 -6.709 1.00 45.10 N ATOM 2547 CA GLN X 71 -13.710 -4.841 -5.774 1.00 46.17 C ATOM 2548 C GLN X 71 -13.900 -5.490 -4.428 1.00 46.03 C ATOM 2549 O GLN X 71 -13.827 -4.818 -3.401 1.00 47.03 O ATOM 2550 CB GLN X 71 -15.084 -4.423 -6.335 1.00 46.13 C ATOM 2551 CG GLN X 71 -15.047 -3.389 -7.433 1.00 49.94 C ATOM 2552 CD GLN X 71 -14.031 -2.266 -7.226 1.00 52.53 C ATOM 2553 OE1 GLN X 71 -14.177 -1.395 -6.347 1.00 55.12 O ATOM 2554 NE2 GLN X 71 -13.019 -2.255 -8.076 1.00 52.56 N ATOM 2555 HA GLN X 71 -13.097 -3.950 -5.643 1.00 0.00 H ATOM 2556 HB2 GLN X 71 -15.572 -5.315 -6.728 1.00 0.00 H ATOM 2557 HB3 GLN X 71 -15.675 -4.020 -5.513 1.00 0.00 H ATOM 2558 HG2 GLN X 71 -14.806 -3.896 -8.368 1.00 0.00 H ATOM 2559 HG3 GLN X 71 -16.037 -2.940 -7.509 1.00 0.00 H ATOM 2560 HE22 GLN X 71 -12.935 -3.002 -8.795 1.00 0.00 H ATOM 2561 HE21 GLN X 71 -12.306 -1.499 -8.026 1.00 0.00 H ATOM 2562 H GLN X 71 -13.424 -6.010 -7.581 1.00 0.00 H ATOM 2563 N GLU X 72 -14.153 -6.794 -4.416 1.00 46.87 N ATOM 2564 CA GLU X 72 -14.303 -7.513 -3.161 1.00 46.24 C ATOM 2565 C GLU X 72 -12.952 -7.596 -2.434 1.00 45.99 C ATOM 2566 O GLU X 72 -12.888 -7.512 -1.204 1.00 45.58 O ATOM 2567 CB GLU X 72 -14.935 -8.886 -3.418 1.00 46.56 C ATOM 2568 CG GLU X 72 -16.406 -8.798 -3.909 1.00 45.52 C ATOM 2569 CD GLU X 72 -16.895 -10.115 -4.503 1.00 47.16 C ATOM 2570 OE1 GLU X 72 -16.080 -10.926 -5.023 1.00 43.33 O ATOM 2571 OE2 GLU X 72 -18.109 -10.345 -4.449 1.00 45.99 O ATOM 2572 HA GLU X 72 -14.980 -6.973 -2.499 1.00 0.00 H ATOM 2573 HB2 GLU X 72 -14.346 -9.403 -4.176 1.00 0.00 H ATOM 2574 HB3 GLU X 72 -14.912 -9.458 -2.490 1.00 0.00 H ATOM 2575 HG2 GLU X 72 -17.043 -8.535 -3.064 1.00 0.00 H ATOM 2576 HG3 GLU X 72 -16.476 -8.021 -4.671 1.00 0.00 H ATOM 2577 H GLU X 72 -14.245 -7.307 -5.316 1.00 0.00 H ATOM 2578 N PHE X 73 -11.877 -7.766 -3.196 1.00 45.52 N ATOM 2579 CA PHE X 73 -10.524 -7.697 -2.622 1.00 45.28 C ATOM 2580 C PHE X 73 -10.264 -6.337 -1.962 1.00 45.68 C ATOM 2581 O PHE X 73 -9.740 -6.273 -0.826 1.00 46.14 O ATOM 2582 CB PHE X 73 -9.438 -8.013 -3.664 1.00 45.06 C ATOM 2583 CG PHE X 73 -8.042 -7.941 -3.106 1.00 45.22 C ATOM 2584 CD1 PHE X 73 -7.580 -8.926 -2.211 1.00 45.50 C ATOM 2585 CD2 PHE X 73 -7.181 -6.907 -3.468 1.00 42.36 C ATOM 2586 CE1 PHE X 73 -6.291 -8.865 -1.690 1.00 44.39 C ATOM 2587 CE2 PHE X 73 -5.872 -6.834 -2.947 1.00 44.08 C ATOM 2588 CZ PHE X 73 -5.421 -7.820 -2.065 1.00 44.46 C ATOM 2589 HA PHE X 73 -10.471 -8.465 -1.850 1.00 0.00 H ATOM 2590 HB2 PHE X 73 -9.607 -9.020 -4.047 1.00 0.00 H ATOM 2591 HB3 PHE X 73 -9.522 -7.296 -4.481 1.00 0.00 H ATOM 2592 HD2 PHE X 73 -7.524 -6.142 -4.165 1.00 0.00 H ATOM 2593 HE2 PHE X 73 -5.215 -6.012 -3.231 1.00 0.00 H ATOM 2594 HZ PHE X 73 -4.406 -7.782 -1.670 1.00 0.00 H ATOM 2595 HE1 PHE X 73 -5.952 -9.628 -0.989 1.00 0.00 H ATOM 2596 HD1 PHE X 73 -8.239 -9.745 -1.923 1.00 0.00 H ATOM 2597 H PHE X 73 -11.994 -7.951 -4.213 1.00 0.00 H ATOM 2598 N MET X 74 -10.608 -5.255 -2.667 1.00 45.54 N ATOM 2599 CA MET X 74 -10.472 -3.886 -2.119 1.00 45.45 C ATOM 2600 C MET X 74 -11.245 -3.707 -0.809 1.00 44.92 C ATOM 2601 O MET X 74 -10.744 -3.034 0.129 1.00 44.87 O ATOM 2602 CB MET X 74 -10.871 -2.779 -3.138 1.00 46.52 C ATOM 2603 CG MET X 74 -9.821 -2.409 -4.208 1.00 47.03 C ATOM 2604 SD MET X 74 -8.135 -2.207 -3.590 1.00 55.82 S ATOM 2605 CE MET X 74 -8.277 -0.889 -2.373 1.00 54.08 C ATOM 2606 HA MET X 74 -9.409 -3.766 -1.908 1.00 0.00 H ATOM 2607 HB2 MET X 74 -11.768 -3.116 -3.658 1.00 0.00 H ATOM 2608 HB3 MET X 74 -11.099 -1.876 -2.572 1.00 0.00 H ATOM 2609 HG2 MET X 74 -10.126 -1.470 -4.671 1.00 0.00 H ATOM 2610 HG3 MET X 74 -9.813 -3.198 -4.960 1.00 0.00 H ATOM 2611 HE1 MET X 74 -8.649 0.013 -2.858 1.00 0.00 H ATOM 2612 HE2 MET X 74 -8.970 -1.194 -1.589 1.00 0.00 H ATOM 2613 HE3 MET X 74 -7.298 -0.691 -1.938 1.00 0.00 H ATOM 2614 H MET X 74 -10.982 -5.378 -3.629 1.00 0.00 H ATOM 2615 N ALA X 75 -12.457 -4.272 -0.737 1.00 44.62 N ATOM 2616 CA ALA X 75 -13.228 -4.259 0.516 1.00 44.33 C ATOM 2617 C ALA X 75 -12.526 -5.067 1.601 1.00 44.33 C ATOM 2618 O ALA X 75 -12.511 -4.652 2.754 1.00 45.37 O ATOM 2619 CB ALA X 75 -14.604 -4.772 0.297 1.00 44.84 C ATOM 2620 HA ALA X 75 -13.296 -3.224 0.852 1.00 0.00 H ATOM 2621 HB1 ALA X 75 -15.112 -4.144 -0.434 1.00 0.00 H ATOM 2622 HB2 ALA X 75 -14.554 -5.796 -0.074 1.00 0.00 H ATOM 2623 HB3 ALA X 75 -15.152 -4.752 1.239 1.00 0.00 H ATOM 2624 H ALA X 75 -12.860 -4.727 -1.581 1.00 0.00 H ATOM 2625 N PHE X 76 -11.920 -6.208 1.244 1.00 44.03 N ATOM 2626 CA PHE X 76 -11.130 -7.015 2.190 1.00 45.23 C ATOM 2627 C PHE X 76 -9.956 -6.201 2.751 1.00 44.57 C ATOM 2628 O PHE X 76 -9.767 -6.102 3.984 1.00 46.75 O ATOM 2629 CB PHE X 76 -10.646 -8.276 1.469 1.00 44.99 C ATOM 2630 CG PHE X 76 -9.803 -9.209 2.290 1.00 46.38 C ATOM 2631 CD1 PHE X 76 -10.157 -9.580 3.588 1.00 47.06 C ATOM 2632 CD2 PHE X 76 -8.681 -9.802 1.714 1.00 45.71 C ATOM 2633 CE1 PHE X 76 -9.360 -10.495 4.324 1.00 45.67 C ATOM 2634 CE2 PHE X 76 -7.872 -10.729 2.442 1.00 44.62 C ATOM 2635 CZ PHE X 76 -8.219 -11.064 3.745 1.00 45.20 C ATOM 2636 HA PHE X 76 -11.749 -7.304 3.039 1.00 0.00 H ATOM 2637 HB2 PHE X 76 -11.523 -8.827 1.130 1.00 0.00 H ATOM 2638 HB3 PHE X 76 -10.058 -7.964 0.606 1.00 0.00 H ATOM 2639 HD2 PHE X 76 -8.415 -9.554 0.687 1.00 0.00 H ATOM 2640 HE2 PHE X 76 -6.989 -11.170 1.978 1.00 0.00 H ATOM 2641 HZ PHE X 76 -7.607 -11.765 4.313 1.00 0.00 H ATOM 2642 HE1 PHE X 76 -9.637 -10.756 5.345 1.00 0.00 H ATOM 2643 HD1 PHE X 76 -11.056 -9.162 4.042 1.00 0.00 H ATOM 2644 H PHE X 76 -12.011 -6.536 0.261 1.00 0.00 H ATOM 2645 N VAL X 77 -9.191 -5.565 1.869 1.00 44.15 N ATOM 2646 CA VAL X 77 -8.117 -4.674 2.296 1.00 43.31 C ATOM 2647 C VAL X 77 -8.650 -3.592 3.242 1.00 44.54 C ATOM 2648 O VAL X 77 -7.996 -3.300 4.255 1.00 44.73 O ATOM 2649 CB VAL X 77 -7.317 -4.112 1.097 1.00 43.81 C ATOM 2650 CG1 VAL X 77 -6.345 -3.040 1.522 1.00 43.10 C ATOM 2651 CG2 VAL X 77 -6.559 -5.257 0.400 1.00 41.49 C ATOM 2652 HA VAL X 77 -7.396 -5.257 2.869 1.00 0.00 H ATOM 2653 HB VAL X 77 -8.027 -3.658 0.405 1.00 0.00 H ATOM 2654 HG11 VAL X 77 -6.892 -2.218 1.984 1.00 0.00 H ATOM 2655 HG12 VAL X 77 -5.638 -3.456 2.240 1.00 0.00 H ATOM 2656 HG13 VAL X 77 -5.805 -2.674 0.649 1.00 0.00 H ATOM 2657 HG21 VAL X 77 -5.873 -5.721 1.109 1.00 0.00 H ATOM 2658 HG22 VAL X 77 -7.273 -6.000 0.044 1.00 0.00 H ATOM 2659 HG23 VAL X 77 -5.997 -4.858 -0.444 1.00 0.00 H ATOM 2660 H VAL X 77 -9.362 -5.706 0.853 1.00 0.00 H ATOM 2661 N ALA X 78 -9.809 -2.988 2.934 1.00 43.68 N ATOM 2662 CA ALA X 78 -10.341 -1.939 3.816 1.00 44.65 C ATOM 2663 C ALA X 78 -10.647 -2.511 5.213 1.00 44.10 C ATOM 2664 O ALA X 78 -10.367 -1.858 6.199 1.00 44.55 O ATOM 2665 CB ALA X 78 -11.599 -1.285 3.242 1.00 44.60 C ATOM 2666 HA ALA X 78 -9.571 -1.171 3.896 1.00 0.00 H ATOM 2667 HB1 ALA X 78 -11.364 -0.832 2.279 1.00 0.00 H ATOM 2668 HB2 ALA X 78 -12.372 -2.042 3.110 1.00 0.00 H ATOM 2669 HB3 ALA X 78 -11.954 -0.517 3.930 1.00 0.00 H ATOM 2670 H ALA X 78 -10.328 -3.261 2.075 1.00 0.00 H ATOM 2671 N MET X 79 -11.229 -3.707 5.270 1.00 44.33 N ATOM 2672 CA MET X 79 -11.525 -4.361 6.546 1.00 44.67 C ATOM 2673 C MET X 79 -10.247 -4.505 7.374 1.00 43.95 C ATOM 2674 O MET X 79 -10.197 -4.178 8.563 1.00 42.65 O ATOM 2675 CB MET X 79 -12.124 -5.742 6.318 1.00 44.55 C ATOM 2676 CG MET X 79 -13.473 -5.779 5.597 1.00 45.55 C ATOM 2677 SD MET X 79 -13.931 -7.503 5.201 1.00 47.54 S ATOM 2678 CE MET X 79 -14.815 -7.337 3.638 1.00 46.42 C ATOM 2679 HA MET X 79 -12.244 -3.742 7.082 1.00 0.00 H ATOM 2680 HB2 MET X 79 -11.414 -6.320 5.727 1.00 0.00 H ATOM 2681 HB3 MET X 79 -12.253 -6.214 7.292 1.00 0.00 H ATOM 2682 HG2 MET X 79 -13.404 -5.204 4.674 1.00 0.00 H ATOM 2683 HG3 MET X 79 -14.237 -5.342 6.240 1.00 0.00 H ATOM 2684 HE1 MET X 79 -15.683 -6.694 3.780 1.00 0.00 H ATOM 2685 HE2 MET X 79 -14.153 -6.897 2.893 1.00 0.00 H ATOM 2686 HE3 MET X 79 -15.141 -8.321 3.300 1.00 0.00 H ATOM 2687 H MET X 79 -11.480 -4.190 4.384 1.00 0.00 H ATOM 2688 N ILE X 80 -9.209 -5.012 6.729 1.00 43.81 N ATOM 2689 CA ILE X 80 -7.961 -5.299 7.405 1.00 44.12 C ATOM 2690 C ILE X 80 -7.346 -3.996 7.909 1.00 44.64 C ATOM 2691 O ILE X 80 -6.834 -3.916 9.052 1.00 43.70 O ATOM 2692 CB ILE X 80 -6.961 -5.956 6.444 1.00 44.07 C ATOM 2693 CG1 ILE X 80 -7.506 -7.305 5.980 1.00 46.56 C ATOM 2694 CG2 ILE X 80 -5.575 -6.110 7.139 1.00 42.21 C ATOM 2695 CD1 ILE X 80 -6.575 -8.057 5.075 1.00 47.35 C ATOM 2696 HA ILE X 80 -8.170 -5.976 8.233 1.00 0.00 H ATOM 2697 HB ILE X 80 -6.825 -5.323 5.567 1.00 0.00 H ATOM 2698 HG12 ILE X 80 -7.700 -7.918 6.860 1.00 0.00 H ATOM 2699 HG13 ILE X 80 -8.440 -7.133 5.446 1.00 0.00 H ATOM 2700 HD11 ILE X 80 -6.379 -7.463 4.182 1.00 0.00 H ATOM 2701 HD12 ILE X 80 -5.638 -8.249 5.598 1.00 0.00 H ATOM 2702 HD13 ILE X 80 -7.034 -9.004 4.789 1.00 0.00 H ATOM 2703 HG21 ILE X 80 -5.203 -5.127 7.427 1.00 0.00 H ATOM 2704 HG22 ILE X 80 -5.682 -6.733 8.027 1.00 0.00 H ATOM 2705 HG23 ILE X 80 -4.873 -6.577 6.448 1.00 0.00 H ATOM 2706 H ILE X 80 -9.291 -5.209 5.711 1.00 0.00 H ATOM 2707 N THR X 81 -7.349 -2.999 7.027 1.00 44.48 N ATOM 2708 CA THR X 81 -6.774 -1.684 7.336 1.00 45.04 C ATOM 2709 C THR X 81 -7.530 -0.995 8.487 1.00 45.59 C ATOM 2710 O THR X 81 -6.914 -0.393 9.381 1.00 45.66 O ATOM 2711 CB THR X 81 -6.746 -0.813 6.082 1.00 44.42 C ATOM 2712 OG1 THR X 81 -6.144 -1.568 5.009 1.00 44.84 O ATOM 2713 CG2 THR X 81 -5.915 0.437 6.318 1.00 43.69 C ATOM 2714 HA THR X 81 -5.748 -1.829 7.673 1.00 0.00 H ATOM 2715 HB THR X 81 -7.766 -0.521 5.831 1.00 0.00 H ATOM 2716 HG1 THR X 81 -6.679 -2.384 4.841 1.00 0.00 H ATOM 2717 HG23 THR X 81 -6.358 1.019 7.127 1.00 0.00 H ATOM 2718 HG21 THR X 81 -4.899 0.150 6.589 1.00 0.00 H ATOM 2719 HG22 THR X 81 -5.895 1.036 5.407 1.00 0.00 H ATOM 2720 H THR X 81 -7.772 -3.156 6.090 1.00 0.00 H ATOM 2721 N THR X 82 -8.851 -1.100 8.466 1.00 46.11 N ATOM 2722 CA THR X 82 -9.683 -0.502 9.534 1.00 46.32 C ATOM 2723 C THR X 82 -9.443 -1.229 10.866 1.00 46.58 C ATOM 2724 O THR X 82 -9.374 -0.598 11.907 1.00 46.76 O ATOM 2725 CB THR X 82 -11.159 -0.543 9.188 1.00 46.05 C ATOM 2726 OG1 THR X 82 -11.347 0.080 7.915 1.00 45.55 O ATOM 2727 CG2 THR X 82 -11.974 0.212 10.239 1.00 46.90 C ATOM 2728 HA THR X 82 -9.388 0.543 9.630 1.00 0.00 H ATOM 2729 HB THR X 82 -11.494 -1.580 9.161 1.00 0.00 H ATOM 2730 HG1 THR X 82 -10.826 -0.409 7.230 1.00 0.00 H ATOM 2731 HG23 THR X 82 -11.835 -0.259 11.212 1.00 0.00 H ATOM 2732 HG21 THR X 82 -11.637 1.248 10.283 1.00 0.00 H ATOM 2733 HG22 THR X 82 -13.029 0.183 9.968 1.00 0.00 H ATOM 2734 H THR X 82 -9.311 -1.611 7.686 1.00 0.00 H ATOM 2735 N ALA X 83 -9.291 -2.549 10.821 1.00 46.87 N ATOM 2736 CA ALA X 83 -9.013 -3.310 12.045 1.00 47.12 C ATOM 2737 C ALA X 83 -7.648 -2.935 12.668 1.00 47.65 C ATOM 2738 O ALA X 83 -7.533 -2.776 13.901 1.00 47.64 O ATOM 2739 CB ALA X 83 -9.107 -4.796 11.775 1.00 46.86 C ATOM 2740 HA ALA X 83 -9.773 -3.044 12.779 1.00 0.00 H ATOM 2741 HB1 ALA X 83 -10.111 -5.038 11.426 1.00 0.00 H ATOM 2742 HB2 ALA X 83 -8.380 -5.072 11.012 1.00 0.00 H ATOM 2743 HB3 ALA X 83 -8.898 -5.345 12.693 1.00 0.00 H ATOM 2744 H ALA X 83 -9.370 -3.046 9.911 1.00 0.00 H ATOM 2745 N CYS X 84 -6.622 -2.802 11.831 1.00 47.53 N ATOM 2746 CA CYS X 84 -5.285 -2.446 12.328 1.00 47.86 C ATOM 2747 C CYS X 84 -5.278 -1.016 12.895 1.00 47.82 C ATOM 2748 O CYS X 84 -4.703 -0.733 13.967 1.00 47.73 O ATOM 2749 CB CYS X 84 -4.243 -2.633 11.242 1.00 47.20 C ATOM 2750 SG CYS X 84 -2.604 -2.095 11.729 1.00 49.69 S ATOM 2751 HA CYS X 84 -5.025 -3.119 13.145 1.00 0.00 H ATOM 2752 HB2 CYS X 84 -4.549 -2.060 10.367 1.00 0.00 H ATOM 2753 HB3 CYS X 84 -4.198 -3.691 10.985 1.00 0.00 H ATOM 2754 HG CYS X 84 -1.725 -2.301 10.685 1.00 0.00 H ATOM 2755 H CYS X 84 -6.768 -2.952 10.812 1.00 0.00 H ATOM 2756 N HIS X 85 -5.937 -0.130 12.159 1.00 47.65 N ATOM 2757 CA HIS X 85 -6.166 1.236 12.560 1.00 47.73 C ATOM 2758 C HIS X 85 -6.812 1.307 13.958 1.00 47.37 C ATOM 2759 O HIS X 85 -6.318 2.008 14.853 1.00 47.46 O ATOM 2760 CB HIS X 85 -7.045 1.866 11.478 1.00 47.83 C ATOM 2761 CG HIS X 85 -7.512 3.246 11.788 1.00 49.32 C ATOM 2762 ND1 HIS X 85 -8.808 3.647 11.560 1.00 51.10 N ATOM 2763 CD2 HIS X 85 -6.862 4.324 12.283 1.00 51.12 C ATOM 2764 CE1 HIS X 85 -8.939 4.917 11.904 1.00 52.92 C ATOM 2765 NE2 HIS X 85 -7.773 5.351 12.347 1.00 52.84 N ATOM 2766 HA HIS X 85 -5.229 1.786 12.648 1.00 0.00 H ATOM 2767 HB2 HIS X 85 -6.473 1.900 10.551 1.00 0.00 H ATOM 2768 HB3 HIS X 85 -7.921 1.233 11.339 1.00 0.00 H ATOM 2769 HD2 HIS X 85 -5.813 4.370 12.576 1.00 0.00 H ATOM 2770 HE1 HIS X 85 -9.854 5.506 11.834 1.00 0.00 H ATOM 2771 H HIS X 85 -6.310 -0.439 11.239 1.00 0.00 H ATOM 2772 N GLU X 86 -7.889 0.548 14.153 1.00 46.73 N ATOM 2773 CA GLU X 86 -8.639 0.584 15.401 1.00 46.85 C ATOM 2774 C GLU X 86 -7.888 -0.088 16.563 1.00 45.98 C ATOM 2775 O GLU X 86 -8.046 0.309 17.708 1.00 45.31 O ATOM 2776 CB GLU X 86 -10.027 -0.026 15.201 1.00 46.91 C ATOM 2777 CG GLU X 86 -10.970 0.894 14.414 1.00 47.59 C ATOM 2778 CD GLU X 86 -12.313 0.254 14.041 1.00 48.90 C ATOM 2779 OE1 GLU X 86 -12.629 -0.891 14.457 1.00 50.06 O ATOM 2780 OE2 GLU X 86 -13.072 0.928 13.315 1.00 54.43 O ATOM 2781 HA GLU X 86 -8.755 1.630 15.683 1.00 0.00 H ATOM 2782 HB2 GLU X 86 -9.921 -0.965 14.657 1.00 0.00 H ATOM 2783 HB3 GLU X 86 -10.466 -0.222 16.179 1.00 0.00 H ATOM 2784 HG2 GLU X 86 -11.170 1.777 15.020 1.00 0.00 H ATOM 2785 HG3 GLU X 86 -10.467 1.192 13.494 1.00 0.00 H ATOM 2786 H GLU X 86 -8.203 -0.088 13.393 1.00 0.00 H ATOM 2787 N PHE X 87 -7.080 -1.106 16.270 1.00 45.46 N ATOM 2788 CA PHE X 87 -6.241 -1.751 17.297 1.00 45.59 C ATOM 2789 C PHE X 87 -5.347 -0.738 18.023 1.00 46.20 C ATOM 2790 O PHE X 87 -5.303 -0.715 19.247 1.00 45.66 O ATOM 2791 CB PHE X 87 -5.355 -2.826 16.654 1.00 45.30 C ATOM 2792 CG PHE X 87 -4.688 -3.744 17.641 1.00 45.23 C ATOM 2793 CD1 PHE X 87 -5.326 -4.911 18.068 1.00 43.98 C ATOM 2794 CD2 PHE X 87 -3.419 -3.453 18.132 1.00 43.95 C ATOM 2795 CE1 PHE X 87 -4.711 -5.771 18.967 1.00 44.29 C ATOM 2796 CE2 PHE X 87 -2.784 -4.312 19.027 1.00 43.94 C ATOM 2797 CZ PHE X 87 -3.432 -5.473 19.446 1.00 44.46 C ATOM 2798 HA PHE X 87 -6.913 -2.202 18.027 1.00 0.00 H ATOM 2799 HB2 PHE X 87 -5.975 -3.429 15.990 1.00 0.00 H ATOM 2800 HB3 PHE X 87 -4.580 -2.328 16.072 1.00 0.00 H ATOM 2801 HD2 PHE X 87 -2.915 -2.541 17.812 1.00 0.00 H ATOM 2802 HE2 PHE X 87 -1.786 -4.077 19.397 1.00 0.00 H ATOM 2803 HZ PHE X 87 -2.941 -6.148 20.147 1.00 0.00 H ATOM 2804 HE1 PHE X 87 -5.223 -6.675 19.298 1.00 0.00 H ATOM 2805 HD1 PHE X 87 -6.320 -5.149 17.690 1.00 0.00 H ATOM 2806 H PHE X 87 -7.040 -1.455 15.291 1.00 0.00 H ATOM 2807 N PHE X 88 -4.633 0.080 17.248 1.00 47.77 N ATOM 2808 CA PHE X 88 -3.619 1.007 17.770 1.00 49.46 C ATOM 2809 C PHE X 88 -4.115 2.434 17.876 1.00 51.20 C ATOM 2810 O PHE X 88 -3.753 3.141 18.816 1.00 51.19 O ATOM 2811 CB PHE X 88 -2.368 0.994 16.892 1.00 49.23 C ATOM 2812 CG PHE X 88 -1.744 -0.353 16.756 1.00 48.95 C ATOM 2813 CD1 PHE X 88 -0.789 -0.779 17.663 1.00 48.70 C ATOM 2814 CD2 PHE X 88 -2.106 -1.194 15.720 1.00 49.17 C ATOM 2815 CE1 PHE X 88 -0.206 -2.038 17.542 1.00 49.45 C ATOM 2816 CE2 PHE X 88 -1.532 -2.459 15.587 1.00 49.86 C ATOM 2817 CZ PHE X 88 -0.571 -2.881 16.498 1.00 49.29 C ATOM 2818 HA PHE X 88 -3.387 0.653 18.774 1.00 0.00 H ATOM 2819 HB2 PHE X 88 -2.641 1.349 15.898 1.00 0.00 H ATOM 2820 HB3 PHE X 88 -1.634 1.671 17.329 1.00 0.00 H ATOM 2821 HD2 PHE X 88 -2.851 -0.864 14.996 1.00 0.00 H ATOM 2822 HE2 PHE X 88 -1.837 -3.114 14.771 1.00 0.00 H ATOM 2823 HZ PHE X 88 -0.108 -3.863 16.395 1.00 0.00 H ATOM 2824 HE1 PHE X 88 0.539 -2.364 18.268 1.00 0.00 H ATOM 2825 HD1 PHE X 88 -0.490 -0.122 18.480 1.00 0.00 H ATOM 2826 H PHE X 88 -4.803 0.061 16.222 1.00 0.00 H ATOM 2827 N GLU X 89 -4.926 2.844 16.895 1.00 53.48 N ATOM 2828 CA GLU X 89 -5.476 4.228 16.754 1.00 55.23 C ATOM 2829 C GLU X 89 -4.684 5.354 17.432 1.00 56.44 C ATOM 2830 O GLU X 89 -4.349 6.363 16.787 1.00 58.10 O ATOM 2831 CB GLU X 89 -6.960 4.283 17.168 1.00 55.47 C ATOM 2832 CG GLU X 89 -7.254 3.684 18.516 1.00 55.07 C ATOM 2833 CD GLU X 89 -8.569 2.894 18.555 1.00 58.94 C ATOM 2834 OE1 GLU X 89 -9.480 3.168 17.713 1.00 59.54 O ATOM 2835 OE2 GLU X 89 -8.683 1.975 19.418 1.00 52.22 O ATOM 2836 HA GLU X 89 -5.372 4.434 15.689 1.00 0.00 H ATOM 2837 HB2 GLU X 89 -7.271 5.328 17.184 1.00 0.00 H ATOM 2838 HB3 GLU X 89 -7.542 3.744 16.421 1.00 0.00 H ATOM 2839 HG2 GLU X 89 -6.438 3.012 18.782 1.00 0.00 H ATOM 2840 HG3 GLU X 89 -7.312 4.490 19.248 1.00 0.00 H ATOM 2841 H GLU X 89 -5.196 2.146 16.173 1.00 0.00 H TER 2842 GLU X 89 HETATM 2843 CA CA A 1 -8.113 -17.126 -10.365 1.00 42.48 CA HETATM 2844 CA CA A 2 -17.663 -12.626 -5.790 1.00 42.60 CA HETATM 2845 CA CA A 3 -8.113 17.126 10.365 1.00 42.48 CA HETATM 2846 CA CA A 4 -17.663 12.626 5.790 1.00 42.60 CA HETATM 2847 O HOH 5 -1.764 -15.523 7.391 1.00 41.12 O HETATM 2848 O HOH 6 -12.566 -3.987 9.898 1.00 47.36 O HETATM 2849 O HOH 7 -15.383 -8.250 -0.083 1.00 39.04 O HETATM 2850 O HOH 8 -7.173 -19.672 10.644 1.00 44.16 O HETATM 2851 O HOH 9 -7.016 2.557 21.455 1.00 56.08 O HETATM 2852 O HOH 10 -4.112 -4.992 -13.779 1.00 77.50 O HETATM 2853 O HOH 11 -7.013 -14.267 11.687 1.00 52.85 O HETATM 2854 O HOH 12 3.157 -12.065 5.337 1.00 44.22 O HETATM 2855 O HOH 13 -13.896 -1.724 5.884 1.00 40.40 O HETATM 2856 O HOH 14 -14.266 -6.045 -9.752 1.00 50.45 O HETATM 2857 O HOH 15 -17.484 -6.573 -0.639 1.00 42.84 O HETATM 2858 O HOH 16 -2.721 -21.026 -5.056 1.00 59.91 O HETATM 2859 O HOH 17 -10.252 -23.352 -4.760 1.00 42.20 O HETATM 2860 O HOH 18 2.553 -8.736 -0.789 1.00 39.32 O HETATM 2861 O HOH 19 -17.253 -20.336 0.388 1.00 46.71 O HETATM 2862 O HOH 20 -7.363 -22.405 9.865 1.00 41.17 O HETATM 2863 O HOH 21 -0.380 -21.878 2.718 1.00 50.61 O HETATM 2864 O HOH 22 0.251 -17.362 7.475 1.00 39.51 O HETATM 2865 O HOH 23 -16.919 -11.844 -7.651 1.00 41.66 O HETATM 2866 O HOH 24 -7.365 -15.791 9.033 1.00 53.18 O HETATM 2867 O HOH 25 -13.391 -20.618 -5.096 1.00 56.81 O HETATM 2868 O HOH 26 -0.653 -14.971 -11.782 1.00 51.98 O HETATM 2869 O HOH 27 -10.228 -18.216 -9.936 1.00 44.94 O HETATM 2870 O HOH 28 -8.814 -4.215 16.095 1.00 56.41 O HETATM 2871 O HOH 29 -7.046 -24.459 12.246 1.00 65.96 O HETATM 2872 O HOH 30 5.586 -11.886 0.637 1.00 49.47 O HETATM 2873 O HOH 31 -8.438 -24.474 -0.302 1.00 54.38 O HETATM 2874 O HOH 32 5.223 -14.505 -1.151 1.00 46.95 O HETATM 2875 O HOH 33 1.117 -6.444 14.181 1.00 68.21 O HETATM 2876 O HOH 34 -0.559 -18.841 -14.623 1.00 51.70 O HETATM 2877 O HOH 35 -18.190 -3.866 -6.034 1.00 61.96 O HETATM 2878 O HOH 36 -13.485 -22.732 11.949 1.00 53.54 O HETATM 2879 O HOH 37 -11.841 -27.844 7.690 1.00 55.40 O HETATM 2880 O HOH 38 -11.053 -6.669 -12.625 1.00 49.62 O HETATM 2881 O HOH 39 7.691 -7.486 -9.870 1.00 58.09 O HETATM 2882 O HOH 40 8.728 -12.667 0.432 1.00 67.06 O HETATM 2883 O HOH 41 -11.611 2.266 17.805 1.00 67.21 O HETATM 2884 O HOH 42 0.475 -13.418 12.238 1.00 70.06 O HETATM 2885 O HOH 43 -0.813 -17.721 11.819 1.00 52.15 O HETATM 2886 O HOH 44 5.385 -6.335 15.923 1.00 66.79 O HETATM 2887 O HOH 45 -1.764 15.523 -7.391 1.00 41.12 O HETATM 2888 O HOH 46 -12.566 3.987 -9.898 1.00 47.36 O HETATM 2889 O HOH 47 -15.383 8.250 0.083 1.00 39.04 O HETATM 2890 O HOH 48 -7.173 19.672 -10.644 1.00 44.16 O HETATM 2891 O HOH 49 -7.016 -2.557 -21.455 1.00 56.08 O HETATM 2892 O HOH 50 -4.112 4.992 13.779 1.00 77.50 O HETATM 2893 O HOH 51 -7.013 14.267 -11.687 1.00 52.85 O HETATM 2894 O HOH 52 3.157 12.065 -5.337 1.00 44.22 O HETATM 2895 O HOH 53 -13.896 1.724 -5.884 1.00 40.40 O HETATM 2896 O HOH 54 -14.266 6.045 9.752 1.00 50.45 O HETATM 2897 O HOH 55 -17.484 6.573 0.639 1.00 42.84 O HETATM 2898 O HOH 56 -2.721 21.026 5.056 1.00 59.91 O HETATM 2899 O HOH 57 -10.252 23.352 4.760 1.00 42.20 O HETATM 2900 O HOH 58 2.553 8.736 0.789 1.00 39.32 O HETATM 2901 O HOH 59 -17.253 20.336 -0.388 1.00 46.71 O HETATM 2902 O HOH 60 -7.363 22.405 -9.865 1.00 41.17 O HETATM 2903 O HOH 61 -0.380 21.878 -2.718 1.00 50.61 O HETATM 2904 O HOH 62 0.251 17.362 -7.475 1.00 39.51 O HETATM 2905 O HOH 63 -16.919 11.844 7.651 1.00 41.66 O HETATM 2906 O HOH 64 -7.365 15.791 -9.033 1.00 53.18 O HETATM 2907 O HOH 65 -13.391 20.618 5.096 1.00 56.81 O HETATM 2908 O HOH 66 -0.653 14.971 11.782 1.00 51.98 O HETATM 2909 O HOH 67 -10.228 18.216 9.936 1.00 44.94 O HETATM 2910 O HOH 68 -8.814 4.215 -16.095 1.00 56.41 O HETATM 2911 O HOH 69 -7.046 24.459 -12.246 1.00 65.96 O HETATM 2912 O HOH 70 5.586 11.886 -0.637 1.00 49.47 O HETATM 2913 O HOH 71 -8.438 24.474 0.302 1.00 54.38 O HETATM 2914 O HOH 72 5.223 14.505 1.151 1.00 46.95 O HETATM 2915 O HOH 73 1.117 6.444 -14.181 1.00 68.21 O HETATM 2916 O HOH 74 -18.190 3.866 6.034 1.00 61.96 O HETATM 2917 O HOH 75 -13.485 22.732 -11.949 1.00 53.54 O HETATM 2918 O HOH 76 -11.841 27.844 -7.690 1.00 55.40 O HETATM 2919 O HOH 77 -11.053 6.669 12.625 1.00 49.62 O HETATM 2920 O HOH 78 7.691 7.486 9.870 1.00 58.09 O HETATM 2921 O HOH 79 8.728 12.667 -0.432 1.00 67.06 O HETATM 2922 O HOH 80 -11.611 -2.266 -17.805 1.00 67.21 O HETATM 2923 O HOH 81 0.475 13.418 -12.238 1.00 70.06 O HETATM 2924 O HOH 82 -0.813 17.721 -11.819 1.00 52.15 O HETATM 2925 O HOH 83 5.385 6.335 -15.923 1.00 66.79 O HETATM 2926 N1 UNN A 84 3.029 -13.526 14.882 1.00 -0.10 N HETATM 2927 N3 UNN A 84 3.942 -14.577 15.039 1.00 -0.09 N HETATM 2928 N4 UNN A 84 3.145 -15.720 15.308 1.00 -0.21 N HETATM 2929 C3 UNN A 84 1.843 -15.343 15.313 1.00 0.16 C HETATM 2930 C1 UNN A 84 1.765 -13.893 15.032 1.00 0.20 C HETATM 2931 N2 UNN A 84 0.678 -13.087 14.936 1.00 -0.25 N HETATM 2932 C4 UNN A 84 0.825 -11.773 14.654 1.00 0.12 C HETATM 2933 C5 UNN A 84 2.210 -11.237 14.458 1.00 0.07 C HETATM 2934 C6 UNN A 84 3.345 -12.195 14.589 1.00 0.15 C HETATM 2935 C12 UNN A 84 4.653 -11.735 14.417 1.00 -0.01 C HETATM 2936 C17 UNN A 84 4.872 -10.383 14.130 1.00 -0.06 C HETATM 2937 C16 UNN A 84 3.809 -9.483 14.008 1.00 -0.06 C HETATM 2938 C11 UNN A 84 2.482 -9.900 14.171 1.00 -0.04 C HETATM 2939 H10 UNN A 84 1.671 -9.187 14.075 1.00 0.07 H HETATM 2940 H11 UNN A 84 4.016 -8.443 13.783 1.00 0.06 H HETATM 2941 H12 UNN A 84 5.887 -10.026 13.999 1.00 0.07 H HETATM 2942 H13 UNN A 84 5.490 -12.418 14.505 1.00 0.06 H HETATM 2943 S1 UNN A 84 -0.564 -10.798 14.540 1.00 -0.01 S HETATM 2944 C7 UNN A 84 -1.881 -11.649 13.708 1.00 0.20 C HETATM 2945 C10 UNN A 84 -3.213 -11.001 14.003 1.00 0.14 C HETATM 2946 O3 UNN A 84 -4.237 -11.653 13.844 1.00 -0.39 O HETATM 2947 C13 UNN A 84 -3.290 -9.569 14.462 1.00 0.01 C HETATM 2948 H1 UNN A 84 -2.274 -9.156 14.546 1.00 0.05 H HETATM 2949 H2 UNN A 84 -3.786 -9.524 15.443 1.00 0.05 H HETATM 2950 H3 UNN A 84 -3.866 -8.981 13.733 1.00 0.05 H HETATM 2951 C9 UNN A 84 -1.893 -13.106 14.083 1.00 0.27 C HETATM 2952 O2 UNN A 84 -1.631 -13.960 13.247 1.00 -0.37 O HETATM 2953 O5 UNN A 84 -2.194 -13.505 15.456 1.00 -0.27 O HETATM 2954 C15 UNN A 84 -3.428 -14.134 15.816 1.00 0.07 C HETATM 2955 C19 UNN A 84 -3.907 -13.610 17.152 1.00 -0.04 C HETATM 2956 H7 UNN A 84 -4.855 -14.099 17.419 1.00 0.03 H HETATM 2957 H8 UNN A 84 -4.061 -12.523 17.085 1.00 0.03 H HETATM 2958 H9 UNN A 84 -3.153 -13.827 17.923 1.00 0.03 H HETATM 2959 H5 UNN A 84 -3.276 -15.221 15.885 1.00 0.06 H HETATM 2960 H6 UNN A 84 -4.185 -13.918 15.048 1.00 0.06 H HETATM 2961 H4 UNN A 84 -1.702 -11.578 12.625 1.00 0.09 H HETATM 2962 C8 UNN A 84 0.561 -16.061 15.539 1.00 0.25 C HETATM 2963 O1 UNN A 84 -0.332 -15.516 16.153 1.00 -0.38 O HETATM 2964 O4 UNN A 84 0.371 -17.424 15.045 1.00 -0.28 O HETATM 2965 C14 UNN A 84 -0.891 -18.106 15.143 1.00 0.07 C HETATM 2966 C18 UNN A 84 -2.048 -17.256 14.651 1.00 -0.04 C HETATM 2967 H16 UNN A 84 -2.986 -17.822 14.747 1.00 0.03 H HETATM 2968 H17 UNN A 84 -1.886 -16.992 13.596 1.00 0.03 H HETATM 2969 H18 UNN A 84 -2.111 -16.338 15.254 1.00 0.03 H HETATM 2970 H14 UNN A 84 -1.069 -18.370 16.196 1.00 0.06 H HETATM 2971 H15 UNN A 84 -0.845 -19.023 14.538 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 297 296 2845 CONECT 339 338 2845 CONECT 361 360 2845 CONECT 411 410 2845 CONECT 1012 1011 2846 CONECT 1035 1034 2846 CONECT 1054 1053 2846 CONECT 1070 1069 2846 CONECT 1422 1423 1438 1439 1440 CONECT 1438 1422 CONECT 1439 1422 CONECT 1440 1422 CONECT 1718 1717 2843 CONECT 1760 1759 2843 CONECT 1782 1781 2843 CONECT 1832 1831 2843 CONECT 2433 2432 2844 CONECT 2456 2455 2844 CONECT 2475 2474 2844 CONECT 2491 2490 2844 CONECT 2843 1718 1760 1782 1832 CONECT 2844 2433 2456 2475 2491 CONECT 2845 297 339 361 411 CONECT 2846 1012 1035 1054 1070 CONECT 2926 2927 2930 2934 CONECT 2927 2926 2928 CONECT 2928 2927 2929 CONECT 2929 2928 2930 2962 CONECT 2930 2926 2929 2931 CONECT 2931 2930 2932 CONECT 2932 2931 2933 2943 CONECT 2933 2932 2934 2938 CONECT 2934 2926 2933 2935 CONECT 2935 2934 2936 2942 CONECT 2936 2935 2937 2941 CONECT 2937 2936 2938 2940 CONECT 2938 2933 2937 2939 CONECT 2939 2938 CONECT 2940 2937 CONECT 2941 2936 CONECT 2942 2935 CONECT 2943 2932 2944 CONECT 2944 2943 2945 2951 2961 CONECT 2945 2944 2946 2947 CONECT 2946 2945 CONECT 2947 2945 2948 2949 2950 CONECT 2948 2947 CONECT 2949 2947 CONECT 2950 2947 CONECT 2951 2944 2952 2953 CONECT 2952 2951 CONECT 2953 2951 2954 CONECT 2954 2953 2955 2959 2960 CONECT 2955 2954 2956 2957 2958 CONECT 2956 2955 CONECT 2957 2955 CONECT 2958 2955 CONECT 2959 2954 CONECT 2960 2954 CONECT 2961 2944 CONECT 2962 2929 2963 2964 CONECT 2963 2962 CONECT 2964 2962 2965 CONECT 2965 2964 2966 2970 2971 CONECT 2966 2965 2967 2968 2969 CONECT 2967 2966 CONECT 2968 2966 CONECT 2969 2966 CONECT 2970 2965 CONECT 2971 2965 MASTER 0 0 0 0 0 0 0 0 2969 2 74 14 END
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Protein Sequence Similarity
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3gk4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Calcium-Bound Protein S100-B
Ligand Name
53A
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=120uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Biochemistry
Ligand Properties
Formula
C
1
8
H
1
8
N
4
O
5
S
Molecular Weight
402.424
Exact Mass
402.100
No. of atoms
46
No. of bonds
48
Polar Surface Area
138.05
LOGP Value
2.76 (
Computed with XLOGP3
)
2.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
CCOC(=O)[C@@H](C(=O)C)Sc1nc2c(nnn2c2c1cccc2)C(=O)OCC
InChI String
InChI=1S/C18H18N4O5S/c1-4-26-17(24)13-15-19-16(28-14(10(3)23)18(25)27-5-2)11-8-6-7-9-12(11)22(15)21-20-13/h6-9,14H,4-5H2,1-3H3/t14-/m1/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):
P02638
Entrez Gene ID
NCBI Entrez Gene ID:
525716
ASD
Information of known allosteric effects of PDB entries
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