Browse entries in the PDBbind-CN Database
HEADER 1CZQ_COMPLEX COMPND 1CZQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 A 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 A 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 A 46 GLN LEU GLN ALA ARG ILE LEU SEQRES 1 B 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 B 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 B 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 B 46 GLN LEU GLN ALA ARG ILE LEU SEQRES 1 C 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 C 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 C 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 C 46 GLN LEU GLN ALA ARG ILE LEU HET ACE A 0 6 HET ACE B 0 6 HET ACE C 0 6 HET ACE A 577 246 HETATM 1 CA ACE A 0 26.830 7.813 -22.925 1.00 54.89 C HETATM 2 C ACE A 0 26.773 9.004 -22.017 1.00 54.85 C HETATM 3 O ACE A 0 25.855 9.820 -22.124 1.00 54.90 O HETATM 4 H3 ACE A 0 27.706 7.212 -22.680 1.00 0.00 H HETATM 5 H2 ACE A 0 26.896 8.149 -23.960 1.00 0.00 H HETATM 6 H1 ACE A 0 25.929 7.214 -22.793 1.00 0.00 H ATOM 7 N ARG A 1 27.749 9.121 -21.117 1.00 54.75 N ATOM 8 CA ARG A 1 27.815 10.229 -20.165 1.00 54.58 C ATOM 9 C ARG A 1 26.752 10.087 -19.074 1.00 54.54 C ATOM 10 O ARG A 1 27.042 10.224 -17.884 1.00 54.51 O ATOM 11 CB ARG A 1 27.625 11.568 -20.887 1.00 54.54 C ATOM 12 CG ARG A 1 27.841 12.790 -20.010 1.00 54.10 C ATOM 13 CD ARG A 1 27.657 14.085 -20.800 1.00 54.18 C ATOM 14 NE ARG A 1 28.177 15.253 -20.086 1.00 54.02 N ATOM 15 CZ ARG A 1 29.470 15.495 -19.870 1.00 54.03 C ATOM 16 NH1 ARG A 1 30.395 14.654 -20.312 1.00 53.79 N ATOM 17 NH2 ARG A 1 29.843 16.587 -19.206 1.00 53.77 N ATOM 18 HA ARG A 1 28.800 10.203 -19.699 1.00 0.00 H ATOM 19 HB2 ARG A 1 28.333 11.613 -21.715 1.00 0.00 H ATOM 20 HB3 ARG A 1 26.608 11.604 -21.278 1.00 0.00 H ATOM 21 HG2 ARG A 1 27.123 12.770 -19.190 1.00 0.00 H ATOM 22 HG3 ARG A 1 28.853 12.762 -19.606 1.00 0.00 H ATOM 23 HD2 ARG A 1 26.593 14.233 -20.987 1.00 0.00 H ATOM 24 HD3 ARG A 1 28.182 13.993 -21.751 1.00 0.00 H ATOM 25 HE ARG A 1 27.489 15.942 -19.722 1.00 0.00 H ATOM 26 HH12 ARG A 1 31.402 14.850 -20.139 1.00 0.00 H ATOM 27 HH11 ARG A 1 30.114 13.798 -20.832 1.00 0.00 H ATOM 28 HH22 ARG A 1 30.852 16.774 -19.038 1.00 0.00 H ATOM 29 HH21 ARG A 1 29.125 17.253 -18.855 1.00 0.00 H ATOM 30 H ARG A 1 28.493 8.395 -21.091 1.00 0.00 H ATOM 31 N MET A 2 25.518 9.809 -19.480 1.00 54.42 N ATOM 32 CA MET A 2 24.445 9.671 -18.515 1.00 54.44 C ATOM 33 C MET A 2 24.557 8.360 -17.755 1.00 54.51 C ATOM 34 O MET A 2 24.073 8.249 -16.629 1.00 54.42 O ATOM 35 CB MET A 2 23.074 9.796 -19.202 1.00 54.68 C ATOM 36 CG MET A 2 22.749 8.736 -20.238 1.00 54.76 C ATOM 37 SD MET A 2 21.345 9.252 -21.275 1.00 55.63 S ATOM 38 CE MET A 2 22.189 9.658 -22.822 1.00 55.29 C ATOM 39 HA MET A 2 24.536 10.482 -17.792 1.00 0.00 H ATOM 40 HB2 MET A 2 22.308 9.752 -18.428 1.00 0.00 H ATOM 41 HB3 MET A 2 23.035 10.767 -19.695 1.00 0.00 H ATOM 42 HG2 MET A 2 22.495 7.806 -19.730 1.00 0.00 H ATOM 43 HG3 MET A 2 23.621 8.576 -20.872 1.00 0.00 H ATOM 44 HE1 MET A 2 22.913 10.453 -22.642 1.00 0.00 H ATOM 45 HE2 MET A 2 22.705 8.774 -23.196 1.00 0.00 H ATOM 46 HE3 MET A 2 21.457 9.991 -23.557 1.00 0.00 H ATOM 47 H MET A 2 25.321 9.690 -20.494 1.00 0.00 H ATOM 48 N LYS A 3 25.208 7.372 -18.362 1.00 54.34 N ATOM 49 CA LYS A 3 25.383 6.082 -17.702 1.00 54.29 C ATOM 50 C LYS A 3 26.097 6.344 -16.384 1.00 54.33 C ATOM 51 O LYS A 3 25.779 5.740 -15.353 1.00 54.60 O ATOM 52 CB LYS A 3 26.212 5.139 -18.581 1.00 54.05 C ATOM 53 CG LYS A 3 26.527 3.786 -17.956 1.00 54.04 C ATOM 54 CD LYS A 3 27.727 3.853 -17.018 1.00 54.12 C ATOM 55 CE LYS A 3 28.108 2.469 -16.513 1.00 54.37 C ATOM 56 NZ LYS A 3 29.332 2.493 -15.656 1.00 53.92 N ATOM 57 HA LYS A 3 24.419 5.604 -17.529 1.00 0.00 H ATOM 58 HB2 LYS A 3 25.660 4.965 -19.505 1.00 0.00 H ATOM 59 HB3 LYS A 3 27.156 5.633 -18.811 1.00 0.00 H ATOM 60 HG2 LYS A 3 25.658 3.448 -17.392 1.00 0.00 H ATOM 61 HG3 LYS A 3 26.742 3.072 -18.752 1.00 0.00 H ATOM 62 HD2 LYS A 3 28.574 4.282 -17.554 1.00 0.00 H ATOM 63 HD3 LYS A 3 27.478 4.487 -16.167 1.00 0.00 H ATOM 64 HE2 LYS A 3 28.293 1.822 -17.370 1.00 0.00 H ATOM 65 HE3 LYS A 3 27.279 2.069 -15.929 1.00 0.00 H ATOM 66 HZ1 LYS A 3 30.132 2.866 -16.206 1.00 0.00 H ATOM 67 HZ2 LYS A 3 29.163 3.102 -14.830 1.00 0.00 H ATOM 68 HZ3 LYS A 3 29.550 1.527 -15.337 1.00 0.00 H ATOM 69 H LYS A 3 25.596 7.520 -19.316 1.00 0.00 H ATOM 70 N GLN A 4 27.064 7.255 -16.426 1.00 53.94 N ATOM 71 CA GLN A 4 27.811 7.626 -15.236 1.00 53.69 C ATOM 72 C GLN A 4 26.828 8.182 -14.212 1.00 53.19 C ATOM 73 O GLN A 4 26.972 7.953 -13.008 1.00 53.10 O ATOM 74 CB GLN A 4 28.845 8.699 -15.580 1.00 54.21 C ATOM 75 CG GLN A 4 29.861 8.974 -14.477 1.00 55.15 C ATOM 76 CD GLN A 4 29.621 10.285 -13.732 1.00 55.56 C ATOM 77 OE1 GLN A 4 29.532 11.354 -14.343 1.00 56.19 O ATOM 78 NE2 GLN A 4 29.533 10.209 -12.403 1.00 55.66 N ATOM 79 HA GLN A 4 28.330 6.755 -14.836 1.00 0.00 H ATOM 80 HB2 GLN A 4 29.386 8.378 -16.470 1.00 0.00 H ATOM 81 HB3 GLN A 4 28.315 9.627 -15.794 1.00 0.00 H ATOM 82 HG2 GLN A 4 29.818 8.156 -13.757 1.00 0.00 H ATOM 83 HG3 GLN A 4 30.854 9.010 -14.925 1.00 0.00 H ATOM 84 HE22 GLN A 4 29.614 9.287 -11.928 1.00 0.00 H ATOM 85 HE21 GLN A 4 29.384 11.072 -11.842 1.00 0.00 H ATOM 86 H GLN A 4 27.291 7.713 -17.332 1.00 0.00 H ATOM 87 N ILE A 5 25.832 8.918 -14.705 1.00 52.58 N ATOM 88 CA ILE A 5 24.817 9.523 -13.853 1.00 51.70 C ATOM 89 C ILE A 5 24.051 8.467 -13.060 1.00 51.26 C ATOM 90 O ILE A 5 23.650 8.700 -11.920 1.00 51.09 O ATOM 91 CB ILE A 5 23.826 10.380 -14.687 1.00 51.71 C ATOM 92 CG1 ILE A 5 24.547 11.611 -15.246 1.00 51.48 C ATOM 93 CG2 ILE A 5 22.643 10.812 -13.831 1.00 51.41 C ATOM 94 CD1 ILE A 5 23.646 12.569 -16.017 1.00 51.33 C ATOM 95 HA ILE A 5 25.336 10.173 -13.148 1.00 0.00 H ATOM 96 HB ILE A 5 23.452 9.777 -15.514 1.00 0.00 H ATOM 97 HG12 ILE A 5 24.990 12.155 -14.412 1.00 0.00 H ATOM 98 HG13 ILE A 5 25.336 11.270 -15.916 1.00 0.00 H ATOM 99 HD11 ILE A 5 23.202 12.046 -16.864 1.00 0.00 H ATOM 100 HD12 ILE A 5 22.857 12.932 -15.359 1.00 0.00 H ATOM 101 HD13 ILE A 5 24.237 13.411 -16.377 1.00 0.00 H ATOM 102 HG21 ILE A 5 22.123 9.929 -13.460 1.00 0.00 H ATOM 103 HG22 ILE A 5 23.002 11.404 -12.989 1.00 0.00 H ATOM 104 HG23 ILE A 5 21.960 11.411 -14.433 1.00 0.00 H ATOM 105 H ILE A 5 25.778 9.065 -15.733 1.00 0.00 H ATOM 106 N GLU A 6 23.864 7.300 -13.662 1.00 50.54 N ATOM 107 CA GLU A 6 23.146 6.214 -13.013 1.00 50.01 C ATOM 108 C GLU A 6 23.995 5.606 -11.904 1.00 49.32 C ATOM 109 O GLU A 6 23.475 5.210 -10.859 1.00 49.24 O ATOM 110 CB GLU A 6 22.789 5.148 -14.043 1.00 50.43 C ATOM 111 CG GLU A 6 22.141 5.721 -15.289 1.00 51.26 C ATOM 112 CD GLU A 6 22.045 4.703 -16.400 1.00 51.68 C ATOM 113 OE1 GLU A 6 23.016 3.931 -16.557 1.00 52.29 O ATOM 114 OE2 GLU A 6 21.019 4.682 -17.116 1.00 52.25 O ATOM 115 HA GLU A 6 22.231 6.608 -12.572 1.00 0.00 H ATOM 116 HB2 GLU A 6 23.701 4.626 -14.334 1.00 0.00 H ATOM 117 HB3 GLU A 6 22.097 4.440 -13.586 1.00 0.00 H ATOM 118 HG2 GLU A 6 21.137 6.063 -15.038 1.00 0.00 H ATOM 119 HG3 GLU A 6 22.735 6.566 -15.637 1.00 0.00 H ATOM 120 H GLU A 6 24.240 7.158 -14.621 1.00 0.00 H ATOM 121 N ASP A 7 25.302 5.527 -12.128 1.00 48.32 N ATOM 122 CA ASP A 7 26.178 4.970 -11.113 1.00 47.23 C ATOM 123 C ASP A 7 26.344 5.920 -9.926 1.00 46.09 C ATOM 124 O ASP A 7 26.283 5.481 -8.773 1.00 45.71 O ATOM 125 CB ASP A 7 27.543 4.626 -11.703 1.00 47.92 C ATOM 126 CG ASP A 7 27.450 3.585 -12.788 1.00 48.33 C ATOM 127 OD1 ASP A 7 26.526 2.741 -12.729 1.00 48.43 O ATOM 128 OD2 ASP A 7 28.310 3.606 -13.690 1.00 48.94 O ATOM 129 HA ASP A 7 25.709 4.055 -10.750 1.00 0.00 H ATOM 130 HB2 ASP A 7 27.983 5.531 -12.122 1.00 0.00 H ATOM 131 HB3 ASP A 7 28.184 4.247 -10.907 1.00 0.00 H ATOM 132 H ASP A 7 25.697 5.864 -13.029 1.00 0.00 H ATOM 133 N LYS A 8 26.551 7.209 -10.201 1.00 44.57 N ATOM 134 CA LYS A 8 26.703 8.195 -9.129 1.00 43.01 C ATOM 135 C LYS A 8 25.413 8.171 -8.318 1.00 41.20 C ATOM 136 O LYS A 8 25.419 8.346 -7.098 1.00 40.61 O ATOM 137 CB LYS A 8 26.959 9.598 -9.708 1.00 43.49 C ATOM 138 CG LYS A 8 25.895 10.076 -10.695 1.00 44.78 C ATOM 139 CD LYS A 8 26.423 11.125 -11.702 1.00 45.38 C ATOM 140 CE LYS A 8 26.698 12.490 -11.068 1.00 45.64 C ATOM 141 NZ LYS A 8 27.153 13.499 -12.069 1.00 45.55 N ATOM 142 HA LYS A 8 27.559 7.952 -8.500 1.00 0.00 H ATOM 143 HB2 LYS A 8 27.000 10.306 -8.881 1.00 0.00 H ATOM 144 HB3 LYS A 8 27.920 9.585 -10.222 1.00 0.00 H ATOM 145 HG2 LYS A 8 25.528 9.214 -11.253 1.00 0.00 H ATOM 146 HG3 LYS A 8 25.074 10.519 -10.132 1.00 0.00 H ATOM 147 HD2 LYS A 8 27.351 10.752 -12.136 1.00 0.00 H ATOM 148 HD3 LYS A 8 25.681 11.253 -12.490 1.00 0.00 H ATOM 149 HE2 LYS A 8 27.472 12.375 -10.309 1.00 0.00 H ATOM 150 HE3 LYS A 8 25.782 12.850 -10.599 1.00 0.00 H ATOM 151 HZ1 LYS A 8 28.031 13.169 -12.517 1.00 0.00 H ATOM 152 HZ2 LYS A 8 26.418 13.623 -12.794 1.00 0.00 H ATOM 153 HZ3 LYS A 8 27.326 14.406 -11.591 1.00 0.00 H ATOM 154 H LYS A 8 26.605 7.518 -11.192 1.00 0.00 H ATOM 155 N ILE A 9 24.302 7.935 -9.002 1.00 39.40 N ATOM 156 CA ILE A 9 23.015 7.859 -8.333 1.00 37.29 C ATOM 157 C ILE A 9 22.927 6.638 -7.418 1.00 36.07 C ATOM 158 O ILE A 9 22.450 6.756 -6.292 1.00 34.70 O ATOM 159 CB ILE A 9 21.872 7.859 -9.358 1.00 37.14 C ATOM 160 CG1 ILE A 9 21.631 9.303 -9.812 1.00 36.95 C ATOM 161 CG2 ILE A 9 20.600 7.251 -8.759 1.00 37.06 C ATOM 162 CD1 ILE A 9 20.801 9.440 -11.066 1.00 36.89 C ATOM 163 HA ILE A 9 22.915 8.744 -7.705 1.00 0.00 H ATOM 164 HB ILE A 9 22.146 7.245 -10.216 1.00 0.00 H ATOM 165 HG12 ILE A 9 21.120 9.832 -9.007 1.00 0.00 H ATOM 166 HG13 ILE A 9 22.600 9.768 -9.993 1.00 0.00 H ATOM 167 HD11 ILE A 9 21.301 8.930 -11.889 1.00 0.00 H ATOM 168 HD12 ILE A 9 19.821 8.993 -10.902 1.00 0.00 H ATOM 169 HD13 ILE A 9 20.684 10.496 -11.309 1.00 0.00 H ATOM 170 HG21 ILE A 9 20.798 6.223 -8.455 1.00 0.00 H ATOM 171 HG22 ILE A 9 20.293 7.835 -7.891 1.00 0.00 H ATOM 172 HG23 ILE A 9 19.806 7.263 -9.506 1.00 0.00 H ATOM 173 H ILE A 9 24.353 7.802 -10.032 1.00 0.00 H ATOM 174 N GLU A 10 23.389 5.478 -7.887 1.00 34.23 N ATOM 175 CA GLU A 10 23.353 4.260 -7.074 1.00 33.04 C ATOM 176 C GLU A 10 24.244 4.556 -5.878 1.00 32.53 C ATOM 177 O GLU A 10 24.009 4.069 -4.779 1.00 32.14 O ATOM 178 CB GLU A 10 23.884 3.013 -7.847 1.00 32.87 C ATOM 179 CG GLU A 10 23.890 1.705 -6.991 1.00 33.10 C ATOM 180 CD GLU A 10 24.287 0.417 -7.747 1.00 33.56 C ATOM 181 OE1 GLU A 10 24.327 0.442 -8.999 1.00 34.07 O ATOM 182 OE2 GLU A 10 24.542 -0.630 -7.084 1.00 32.41 O ATOM 183 HA GLU A 10 22.329 4.016 -6.790 1.00 0.00 H ATOM 184 HB2 GLU A 10 23.251 2.852 -8.719 1.00 0.00 H ATOM 185 HB3 GLU A 10 24.904 3.217 -8.173 1.00 0.00 H ATOM 186 HG2 GLU A 10 24.594 1.844 -6.170 1.00 0.00 H ATOM 187 HG3 GLU A 10 22.887 1.563 -6.588 1.00 0.00 H ATOM 188 H GLU A 10 23.783 5.437 -8.849 1.00 0.00 H ATOM 189 N GLU A 11 25.259 5.380 -6.100 1.00 31.82 N ATOM 190 CA GLU A 11 26.165 5.731 -5.018 1.00 31.36 C ATOM 191 C GLU A 11 25.456 6.621 -3.998 1.00 30.15 C ATOM 192 O GLU A 11 25.556 6.377 -2.798 1.00 28.89 O ATOM 193 CB GLU A 11 27.409 6.445 -5.536 1.00 33.18 C ATOM 194 CG GLU A 11 28.358 6.833 -4.423 1.00 35.22 C ATOM 195 CD GLU A 11 29.105 5.643 -3.822 1.00 36.93 C ATOM 196 OE1 GLU A 11 28.488 4.580 -3.575 1.00 38.03 O ATOM 197 OE2 GLU A 11 30.322 5.774 -3.579 1.00 38.85 O ATOM 198 HA GLU A 11 26.476 4.802 -4.540 1.00 0.00 H ATOM 199 HB2 GLU A 11 27.931 5.782 -6.226 1.00 0.00 H ATOM 200 HB3 GLU A 11 27.101 7.347 -6.064 1.00 0.00 H ATOM 201 HG2 GLU A 11 29.090 7.536 -4.821 1.00 0.00 H ATOM 202 HG3 GLU A 11 27.785 7.317 -3.632 1.00 0.00 H ATOM 203 H GLU A 11 25.407 5.776 -7.050 1.00 0.00 H ATOM 204 N ILE A 12 24.737 7.640 -4.471 1.00 29.09 N ATOM 205 CA ILE A 12 24.017 8.533 -3.550 1.00 28.34 C ATOM 206 C ILE A 12 22.985 7.725 -2.761 1.00 27.83 C ATOM 207 O ILE A 12 22.802 7.948 -1.560 1.00 26.46 O ATOM 208 CB ILE A 12 23.301 9.675 -4.325 1.00 28.74 C ATOM 209 CG1 ILE A 12 24.327 10.743 -4.701 1.00 28.84 C ATOM 210 CG2 ILE A 12 22.206 10.281 -3.501 1.00 28.70 C ATOM 211 CD1 ILE A 12 23.922 11.603 -5.890 1.00 29.69 C ATOM 212 HA ILE A 12 24.740 8.982 -2.868 1.00 0.00 H ATOM 213 HB ILE A 12 22.850 9.260 -5.227 1.00 0.00 H ATOM 214 HG12 ILE A 12 24.473 11.396 -3.840 1.00 0.00 H ATOM 215 HG13 ILE A 12 25.266 10.246 -4.942 1.00 0.00 H ATOM 216 HD11 ILE A 12 23.783 10.968 -6.765 1.00 0.00 H ATOM 217 HD12 ILE A 12 22.989 12.119 -5.662 1.00 0.00 H ATOM 218 HD13 ILE A 12 24.704 12.335 -6.091 1.00 0.00 H ATOM 219 HG21 ILE A 12 21.473 9.514 -3.253 1.00 0.00 H ATOM 220 HG22 ILE A 12 22.628 10.692 -2.584 1.00 0.00 H ATOM 221 HG23 ILE A 12 21.723 11.076 -4.069 1.00 0.00 H ATOM 222 H ILE A 12 24.685 7.804 -5.497 1.00 0.00 H ATOM 223 N GLU A 13 22.312 6.790 -3.423 1.00 27.40 N ATOM 224 CA GLU A 13 21.313 5.965 -2.762 1.00 26.92 C ATOM 225 C GLU A 13 21.975 5.110 -1.678 1.00 26.36 C ATOM 226 O GLU A 13 21.411 4.912 -0.597 1.00 25.75 O ATOM 227 CB GLU A 13 20.579 5.087 -3.805 1.00 28.34 C ATOM 228 CG GLU A 13 19.760 5.937 -4.810 1.00 29.72 C ATOM 229 CD GLU A 13 19.080 5.118 -5.900 1.00 31.77 C ATOM 230 OE1 GLU A 13 19.671 4.107 -6.331 1.00 33.64 O ATOM 231 OE2 GLU A 13 17.960 5.495 -6.327 1.00 32.24 O ATOM 232 HA GLU A 13 20.574 6.605 -2.281 1.00 0.00 H ATOM 233 HB2 GLU A 13 21.317 4.505 -4.356 1.00 0.00 H ATOM 234 HB3 GLU A 13 19.902 4.411 -3.282 1.00 0.00 H ATOM 235 HG2 GLU A 13 18.992 6.478 -4.257 1.00 0.00 H ATOM 236 HG3 GLU A 13 20.433 6.650 -5.286 1.00 0.00 H ATOM 237 H GLU A 13 22.504 6.645 -4.435 1.00 0.00 H ATOM 238 N SER A 14 23.179 4.629 -1.950 1.00 26.17 N ATOM 239 CA SER A 14 23.899 3.792 -0.999 1.00 26.31 C ATOM 240 C SER A 14 24.246 4.626 0.221 1.00 25.81 C ATOM 241 O SER A 14 24.079 4.149 1.339 1.00 25.13 O ATOM 242 CB SER A 14 25.184 3.224 -1.625 1.00 26.71 C ATOM 243 OG SER A 14 25.954 2.470 -0.695 1.00 30.07 O ATOM 244 HA SER A 14 23.265 2.952 -0.714 1.00 0.00 H ATOM 245 HB2 SER A 14 25.790 4.052 -1.992 1.00 0.00 H ATOM 246 HB3 SER A 14 24.911 2.578 -2.459 1.00 0.00 H ATOM 247 HG SER A 14 26.214 3.050 0.064 1.00 0.00 H ATOM 248 H SER A 14 23.621 4.854 -2.864 1.00 0.00 H ATOM 249 N LYS A 15 24.753 5.840 0.009 1.00 24.70 N ATOM 250 CA LYS A 15 25.091 6.713 1.151 1.00 25.41 C ATOM 251 C LYS A 15 23.824 7.102 1.938 1.00 24.45 C ATOM 252 O LYS A 15 23.862 7.279 3.171 1.00 24.50 O ATOM 253 CB LYS A 15 25.805 7.971 0.672 1.00 26.20 C ATOM 254 CG LYS A 15 27.256 7.762 0.285 1.00 29.07 C ATOM 255 CD LYS A 15 27.875 9.077 -0.220 1.00 30.97 C ATOM 256 CE LYS A 15 29.328 8.914 -0.603 1.00 32.08 C ATOM 257 NZ LYS A 15 29.547 7.749 -1.502 1.00 34.63 N ATOM 258 HA LYS A 15 25.757 6.157 1.811 1.00 0.00 H ATOM 259 HB2 LYS A 15 25.272 8.355 -0.198 1.00 0.00 H ATOM 260 HB3 LYS A 15 25.769 8.709 1.473 1.00 0.00 H ATOM 261 HG2 LYS A 15 27.813 7.414 1.155 1.00 0.00 H ATOM 262 HG3 LYS A 15 27.312 7.012 -0.504 1.00 0.00 H ATOM 263 HD2 LYS A 15 27.317 9.415 -1.093 1.00 0.00 H ATOM 264 HD3 LYS A 15 27.801 9.826 0.569 1.00 0.00 H ATOM 265 HE2 LYS A 15 29.916 8.773 0.304 1.00 0.00 H ATOM 266 HE3 LYS A 15 29.660 9.818 -1.113 1.00 0.00 H ATOM 267 HZ1 LYS A 15 29.240 6.879 -1.021 1.00 0.00 H ATOM 268 HZ2 LYS A 15 28.996 7.877 -2.374 1.00 0.00 H ATOM 269 HZ3 LYS A 15 30.558 7.679 -1.737 1.00 0.00 H ATOM 270 H LYS A 15 24.911 6.173 -0.963 1.00 0.00 H ATOM 271 N GLN A 16 22.708 7.254 1.247 1.00 24.12 N ATOM 272 CA GLN A 16 21.450 7.586 1.904 1.00 23.82 C ATOM 273 C GLN A 16 21.027 6.447 2.838 1.00 23.67 C ATOM 274 O GLN A 16 20.584 6.681 3.979 1.00 22.84 O ATOM 275 CB GLN A 16 20.396 7.815 0.834 1.00 25.71 C ATOM 276 CG GLN A 16 19.229 8.643 1.232 1.00 29.64 C ATOM 277 CD GLN A 16 18.543 9.230 0.004 1.00 32.26 C ATOM 278 OE1 GLN A 16 18.015 8.498 -0.817 1.00 34.89 O ATOM 279 NE2 GLN A 16 18.569 10.556 -0.135 1.00 32.74 N ATOM 280 HA GLN A 16 21.567 8.488 2.504 1.00 0.00 H ATOM 281 HB2 GLN A 16 20.880 8.305 -0.011 1.00 0.00 H ATOM 282 HB3 GLN A 16 20.022 6.840 0.521 1.00 0.00 H ATOM 283 HG2 GLN A 16 18.518 8.022 1.777 1.00 0.00 H ATOM 284 HG3 GLN A 16 19.568 9.455 1.875 1.00 0.00 H ATOM 285 HE22 GLN A 16 19.029 11.146 0.588 1.00 0.00 H ATOM 286 HE21 GLN A 16 18.129 11.000 -0.966 1.00 0.00 H ATOM 287 H GLN A 16 22.728 7.134 0.214 1.00 0.00 H ATOM 288 N LYS A 17 21.160 5.214 2.365 1.00 22.83 N ATOM 289 CA LYS A 17 20.798 4.057 3.179 1.00 22.59 C ATOM 290 C LYS A 17 21.718 4.015 4.406 1.00 22.31 C ATOM 291 O LYS A 17 21.261 3.747 5.515 1.00 21.02 O ATOM 292 CB LYS A 17 20.939 2.756 2.357 1.00 22.86 C ATOM 293 CG LYS A 17 20.340 1.539 3.055 1.00 26.69 C ATOM 294 CD LYS A 17 18.837 1.579 2.932 1.00 29.27 C ATOM 295 CE LYS A 17 18.177 0.837 4.051 1.00 31.75 C ATOM 296 NZ LYS A 17 16.686 0.870 3.940 1.00 34.25 N ATOM 297 HA LYS A 17 19.760 4.142 3.499 1.00 0.00 H ATOM 298 HB2 LYS A 17 20.433 2.892 1.402 1.00 0.00 H ATOM 299 HB3 LYS A 17 21.998 2.569 2.182 1.00 0.00 H ATOM 300 HG2 LYS A 17 20.719 0.629 2.589 1.00 0.00 H ATOM 301 HG3 LYS A 17 20.619 1.550 4.109 1.00 0.00 H ATOM 302 HD2 LYS A 17 18.507 2.618 2.952 1.00 0.00 H ATOM 303 HD3 LYS A 17 18.546 1.125 1.985 1.00 0.00 H ATOM 304 HE2 LYS A 17 18.470 1.292 4.997 1.00 0.00 H ATOM 305 HE3 LYS A 17 18.509 -0.201 4.030 1.00 0.00 H ATOM 306 HZ1 LYS A 17 16.359 1.857 3.966 1.00 0.00 H ATOM 307 HZ2 LYS A 17 16.397 0.431 3.043 1.00 0.00 H ATOM 308 HZ3 LYS A 17 16.269 0.344 4.735 1.00 0.00 H ATOM 309 H LYS A 17 21.527 5.070 1.402 1.00 0.00 H ATOM 310 N LYS A 18 23.001 4.306 4.223 1.00 21.81 N ATOM 311 CA LYS A 18 23.909 4.302 5.374 1.00 21.74 C ATOM 312 C LYS A 18 23.500 5.376 6.378 1.00 20.62 C ATOM 313 O LYS A 18 23.565 5.138 7.577 1.00 19.85 O ATOM 314 CB LYS A 18 25.348 4.540 4.964 1.00 24.04 C ATOM 315 CG LYS A 18 26.029 3.321 4.401 1.00 27.30 C ATOM 316 CD LYS A 18 27.381 3.712 3.863 1.00 29.23 C ATOM 317 CE LYS A 18 27.972 2.592 3.025 1.00 30.50 C ATOM 318 NZ LYS A 18 29.290 3.010 2.472 1.00 33.57 N ATOM 319 HA LYS A 18 23.838 3.314 5.829 1.00 0.00 H ATOM 320 HB2 LYS A 18 25.365 5.324 4.207 1.00 0.00 H ATOM 321 HB3 LYS A 18 25.905 4.871 5.840 1.00 0.00 H ATOM 322 HG2 LYS A 18 26.151 2.576 5.187 1.00 0.00 H ATOM 323 HG3 LYS A 18 25.423 2.904 3.597 1.00 0.00 H ATOM 324 HD2 LYS A 18 27.276 4.604 3.245 1.00 0.00 H ATOM 325 HD3 LYS A 18 28.050 3.926 4.697 1.00 0.00 H ATOM 326 HE2 LYS A 18 27.294 2.358 2.204 1.00 0.00 H ATOM 327 HE3 LYS A 18 28.106 1.707 3.647 1.00 0.00 H ATOM 328 HZ1 LYS A 18 29.163 3.853 1.876 1.00 0.00 H ATOM 329 HZ2 LYS A 18 29.938 3.231 3.254 1.00 0.00 H ATOM 330 HZ3 LYS A 18 29.686 2.237 1.900 1.00 0.00 H ATOM 331 H LYS A 18 23.358 4.534 3.273 1.00 0.00 H ATOM 332 N ILE A 19 23.062 6.531 5.887 1.00 19.99 N ATOM 333 CA ILE A 19 22.655 7.636 6.762 1.00 19.98 C ATOM 334 C ILE A 19 21.400 7.221 7.517 1.00 20.44 C ATOM 335 O ILE A 19 21.282 7.452 8.735 1.00 20.23 O ATOM 336 CB ILE A 19 22.406 8.926 5.914 1.00 20.09 C ATOM 337 CG1 ILE A 19 23.756 9.499 5.464 1.00 21.49 C ATOM 338 CG2 ILE A 19 21.554 9.944 6.682 1.00 20.80 C ATOM 339 CD1 ILE A 19 23.669 10.495 4.296 1.00 21.18 C ATOM 340 HA ILE A 19 23.444 7.860 7.480 1.00 0.00 H ATOM 341 HB ILE A 19 21.831 8.674 5.023 1.00 0.00 H ATOM 342 HG12 ILE A 19 24.210 10.009 6.314 1.00 0.00 H ATOM 343 HG13 ILE A 19 24.393 8.669 5.157 1.00 0.00 H ATOM 344 HD11 ILE A 19 23.230 10.000 3.430 1.00 0.00 H ATOM 345 HD12 ILE A 19 23.046 11.341 4.587 1.00 0.00 H ATOM 346 HD13 ILE A 19 24.669 10.848 4.046 1.00 0.00 H ATOM 347 HG21 ILE A 19 20.590 9.498 6.926 1.00 0.00 H ATOM 348 HG22 ILE A 19 22.068 10.227 7.601 1.00 0.00 H ATOM 349 HG23 ILE A 19 21.401 10.828 6.063 1.00 0.00 H ATOM 350 H ILE A 19 23.006 6.655 4.856 1.00 0.00 H ATOM 351 N GLU A 20 20.459 6.569 6.836 1.00 20.24 N ATOM 352 CA GLU A 20 19.230 6.149 7.503 1.00 20.43 C ATOM 353 C GLU A 20 19.533 5.109 8.576 1.00 20.88 C ATOM 354 O GLU A 20 18.917 5.127 9.645 1.00 20.23 O ATOM 355 CB GLU A 20 18.223 5.608 6.484 1.00 22.94 C ATOM 356 CG GLU A 20 17.766 6.671 5.499 1.00 25.51 C ATOM 357 CD GLU A 20 16.926 6.108 4.378 1.00 29.04 C ATOM 358 OE1 GLU A 20 16.961 4.873 4.177 1.00 30.40 O ATOM 359 OE2 GLU A 20 16.243 6.901 3.691 1.00 30.73 O ATOM 360 HA GLU A 20 18.785 7.017 7.989 1.00 0.00 H ATOM 361 HB2 GLU A 20 18.689 4.794 5.929 1.00 0.00 H ATOM 362 HB3 GLU A 20 17.352 5.229 7.019 1.00 0.00 H ATOM 363 HG2 GLU A 20 17.177 7.414 6.037 1.00 0.00 H ATOM 364 HG3 GLU A 20 18.646 7.149 5.069 1.00 0.00 H ATOM 365 H GLU A 20 20.600 6.359 5.827 1.00 0.00 H ATOM 366 N ASN A 21 20.478 4.220 8.321 1.00 20.53 N ATOM 367 CA ASN A 21 20.820 3.212 9.328 1.00 21.87 C ATOM 368 C ASN A 21 21.500 3.854 10.527 1.00 21.75 C ATOM 369 O ASN A 21 21.269 3.444 11.674 1.00 21.80 O ATOM 370 CB ASN A 21 21.694 2.117 8.720 1.00 24.15 C ATOM 371 CG ASN A 21 20.875 1.155 7.872 1.00 25.28 C ATOM 372 OD1 ASN A 21 19.676 0.980 8.099 1.00 28.26 O ATOM 373 ND2 ASN A 21 21.505 0.549 6.870 1.00 26.78 N ATOM 374 HA ASN A 21 19.896 2.750 9.677 1.00 0.00 H ATOM 375 HB2 ASN A 21 22.457 2.579 8.094 1.00 0.00 H ATOM 376 HB3 ASN A 21 22.174 1.560 9.524 1.00 0.00 H ATOM 377 HD22 ASN A 21 22.518 0.723 6.711 1.00 0.00 H ATOM 378 HD21 ASN A 21 20.985 -0.099 6.245 1.00 0.00 H ATOM 379 H ASN A 21 20.977 4.236 7.409 1.00 0.00 H ATOM 380 N GLU A 22 22.335 4.853 10.274 1.00 20.99 N ATOM 381 CA GLU A 22 23.007 5.548 11.369 1.00 20.36 C ATOM 382 C GLU A 22 21.952 6.294 12.187 1.00 19.79 C ATOM 383 O GLU A 22 21.988 6.264 13.445 1.00 18.87 O ATOM 384 CB GLU A 22 24.059 6.516 10.825 1.00 22.89 C ATOM 385 CG GLU A 22 24.914 7.169 11.901 1.00 25.86 C ATOM 386 CD GLU A 22 25.515 6.170 12.882 1.00 27.97 C ATOM 387 OE1 GLU A 22 26.121 5.158 12.444 1.00 30.05 O ATOM 388 OE2 GLU A 22 25.376 6.411 14.118 1.00 31.29 O ATOM 389 HA GLU A 22 23.523 4.829 12.005 1.00 0.00 H ATOM 390 HB2 GLU A 22 24.716 5.966 10.152 1.00 0.00 H ATOM 391 HB3 GLU A 22 23.547 7.302 10.269 1.00 0.00 H ATOM 392 HG2 GLU A 22 25.727 7.710 11.416 1.00 0.00 H ATOM 393 HG3 GLU A 22 24.293 7.871 12.458 1.00 0.00 H ATOM 394 H GLU A 22 22.512 5.143 9.291 1.00 0.00 H ATOM 395 N ILE A 23 21.003 6.951 11.518 1.00 18.92 N ATOM 396 CA ILE A 23 19.955 7.670 12.254 1.00 18.60 C ATOM 397 C ILE A 23 19.163 6.687 13.118 1.00 19.09 C ATOM 398 O ILE A 23 18.807 7.006 14.260 1.00 18.74 O ATOM 399 CB ILE A 23 19.012 8.388 11.244 1.00 18.79 C ATOM 400 CG1 ILE A 23 19.739 9.598 10.701 1.00 20.45 C ATOM 401 CG2 ILE A 23 17.672 8.764 11.880 1.00 20.11 C ATOM 402 CD1 ILE A 23 19.060 10.223 9.539 1.00 22.51 C ATOM 403 HA ILE A 23 20.411 8.416 12.905 1.00 0.00 H ATOM 404 HB ILE A 23 18.768 7.710 10.426 1.00 0.00 H ATOM 405 HG12 ILE A 23 19.817 10.340 11.496 1.00 0.00 H ATOM 406 HG13 ILE A 23 20.739 9.291 10.393 1.00 0.00 H ATOM 407 HD11 ILE A 23 18.984 9.496 8.730 1.00 0.00 H ATOM 408 HD12 ILE A 23 18.062 10.546 9.834 1.00 0.00 H ATOM 409 HD13 ILE A 23 19.637 11.084 9.203 1.00 0.00 H ATOM 410 HG21 ILE A 23 17.172 7.861 12.231 1.00 0.00 H ATOM 411 HG22 ILE A 23 17.846 9.435 12.721 1.00 0.00 H ATOM 412 HG23 ILE A 23 17.047 9.262 11.139 1.00 0.00 H ATOM 413 H ILE A 23 21.005 6.954 10.478 1.00 0.00 H ATOM 414 N ALA A 24 18.903 5.479 12.617 1.00 18.44 N ATOM 415 CA ALA A 24 18.153 4.517 13.420 1.00 18.86 C ATOM 416 C ALA A 24 18.947 4.136 14.665 1.00 18.66 C ATOM 417 O ALA A 24 18.343 3.966 15.757 1.00 19.32 O ATOM 418 CB ALA A 24 17.824 3.257 12.573 1.00 19.39 C ATOM 419 HA ALA A 24 17.216 4.975 13.737 1.00 0.00 H ATOM 420 HB1 ALA A 24 17.225 3.547 11.710 1.00 0.00 H ATOM 421 HB2 ALA A 24 18.752 2.796 12.235 1.00 0.00 H ATOM 422 HB3 ALA A 24 17.265 2.547 13.182 1.00 0.00 H ATOM 423 H ALA A 24 19.231 5.224 11.664 1.00 0.00 H ATOM 424 N ARG A 25 20.272 4.028 14.548 1.00 18.57 N ATOM 425 CA ARG A 25 21.111 3.667 15.709 1.00 19.19 C ATOM 426 C ARG A 25 21.083 4.819 16.722 1.00 18.69 C ATOM 427 O ARG A 25 20.942 4.592 17.940 1.00 17.93 O ATOM 428 CB ARG A 25 22.552 3.343 15.287 1.00 20.85 C ATOM 429 CG ARG A 25 22.674 1.959 14.627 1.00 23.87 C ATOM 430 CD ARG A 25 24.108 1.536 14.429 1.00 25.32 C ATOM 431 NE ARG A 25 24.759 2.294 13.376 1.00 27.13 N ATOM 432 CZ ARG A 25 24.672 2.019 12.075 1.00 27.60 C ATOM 433 NH1 ARG A 25 23.955 0.979 11.641 1.00 28.92 N ATOM 434 NH2 ARG A 25 25.296 2.806 11.214 1.00 27.79 N ATOM 435 HA ARG A 25 20.707 2.766 16.169 1.00 0.00 H ATOM 436 HB2 ARG A 25 22.888 4.100 14.578 1.00 0.00 H ATOM 437 HB3 ARG A 25 23.189 3.367 16.171 1.00 0.00 H ATOM 438 HG2 ARG A 25 22.177 1.224 15.261 1.00 0.00 H ATOM 439 HG3 ARG A 25 22.182 1.991 13.655 1.00 0.00 H ATOM 440 HD2 ARG A 25 24.130 0.478 14.167 1.00 0.00 H ATOM 441 HD3 ARG A 25 24.652 1.689 15.361 1.00 0.00 H ATOM 442 HE ARG A 25 25.336 3.112 13.658 1.00 0.00 H ATOM 443 HH12 ARG A 25 23.896 0.777 10.623 1.00 0.00 H ATOM 444 HH11 ARG A 25 23.455 0.372 12.322 1.00 0.00 H ATOM 445 HH22 ARG A 25 25.241 2.609 10.194 1.00 0.00 H ATOM 446 HH21 ARG A 25 25.842 3.622 11.557 1.00 0.00 H ATOM 447 H ARG A 25 20.721 4.201 13.626 1.00 0.00 H ATOM 448 N ILE A 26 21.201 6.041 16.221 1.00 17.83 N ATOM 449 CA ILE A 26 21.184 7.222 17.080 1.00 16.94 C ATOM 450 C ILE A 26 19.876 7.301 17.857 1.00 18.02 C ATOM 451 O ILE A 26 19.875 7.580 19.055 1.00 17.73 O ATOM 452 CB ILE A 26 21.369 8.479 16.225 1.00 17.99 C ATOM 453 CG1 ILE A 26 22.821 8.537 15.796 1.00 19.88 C ATOM 454 CG2 ILE A 26 20.943 9.741 17.006 1.00 19.34 C ATOM 455 CD1 ILE A 26 23.144 9.587 14.721 1.00 21.83 C ATOM 456 HA ILE A 26 22.002 7.150 17.797 1.00 0.00 H ATOM 457 HB ILE A 26 20.733 8.440 15.341 1.00 0.00 H ATOM 458 HG12 ILE A 26 23.424 8.758 16.676 1.00 0.00 H ATOM 459 HG13 ILE A 26 23.097 7.558 15.405 1.00 0.00 H ATOM 460 HD11 ILE A 26 22.563 9.377 13.823 1.00 0.00 H ATOM 461 HD12 ILE A 26 22.890 10.579 15.096 1.00 0.00 H ATOM 462 HD13 ILE A 26 24.207 9.548 14.484 1.00 0.00 H ATOM 463 HG21 ILE A 26 19.893 9.657 17.285 1.00 0.00 H ATOM 464 HG22 ILE A 26 21.553 9.834 17.905 1.00 0.00 H ATOM 465 HG23 ILE A 26 21.084 10.620 16.378 1.00 0.00 H ATOM 466 H ILE A 26 21.308 6.161 15.194 1.00 0.00 H ATOM 467 N LYS A 27 18.752 7.069 17.191 1.00 17.60 N ATOM 468 CA LYS A 27 17.450 7.137 17.853 1.00 17.90 C ATOM 469 C LYS A 27 17.326 6.097 18.969 1.00 18.17 C ATOM 470 O LYS A 27 16.767 6.388 20.013 1.00 18.33 O ATOM 471 CB LYS A 27 16.330 6.994 16.805 1.00 19.01 C ATOM 472 CG LYS A 27 16.266 8.210 15.876 1.00 22.27 C ATOM 473 CD LYS A 27 15.275 7.984 14.711 1.00 24.03 C ATOM 474 CE LYS A 27 13.860 7.664 15.161 1.00 24.41 C ATOM 475 NZ LYS A 27 13.173 8.848 15.714 1.00 27.04 N ATOM 476 HA LYS A 27 17.352 8.111 18.333 1.00 0.00 H ATOM 477 HB2 LYS A 27 16.517 6.102 16.207 1.00 0.00 H ATOM 478 HB3 LYS A 27 15.375 6.892 17.320 1.00 0.00 H ATOM 479 HG2 LYS A 27 15.945 9.078 16.451 1.00 0.00 H ATOM 480 HG3 LYS A 27 17.259 8.395 15.466 1.00 0.00 H ATOM 481 HD2 LYS A 27 15.246 8.889 14.104 1.00 0.00 H ATOM 482 HD3 LYS A 27 15.639 7.154 14.106 1.00 0.00 H ATOM 483 HE2 LYS A 27 13.901 6.891 15.928 1.00 0.00 H ATOM 484 HE3 LYS A 27 13.293 7.296 14.306 1.00 0.00 H ATOM 485 HZ1 LYS A 27 13.703 9.202 16.536 1.00 0.00 H ATOM 486 HZ2 LYS A 27 13.123 9.589 14.986 1.00 0.00 H ATOM 487 HZ3 LYS A 27 12.211 8.583 16.008 1.00 0.00 H ATOM 488 H LYS A 27 18.798 6.834 16.179 1.00 0.00 H ATOM 489 N LYS A 28 17.871 4.896 18.775 1.00 17.00 N ATOM 490 CA LYS A 28 17.788 3.867 19.790 1.00 17.21 C ATOM 491 C LYS A 28 18.618 4.257 21.016 1.00 17.36 C ATOM 492 O LYS A 28 18.169 4.066 22.165 1.00 17.54 O ATOM 493 CB LYS A 28 18.244 2.503 19.223 1.00 18.92 C ATOM 494 CG LYS A 28 17.288 1.982 18.164 1.00 24.56 C ATOM 495 CD LYS A 28 17.833 0.732 17.464 1.00 26.88 C ATOM 496 CE LYS A 28 16.950 0.371 16.260 1.00 28.84 C ATOM 497 NZ LYS A 28 17.284 -0.938 15.592 1.00 31.36 N ATOM 498 HA LYS A 28 16.748 3.770 20.101 1.00 0.00 H ATOM 499 HB2 LYS A 28 19.233 2.618 18.779 1.00 0.00 H ATOM 500 HB3 LYS A 28 18.295 1.781 20.038 1.00 0.00 H ATOM 501 HG2 LYS A 28 16.338 1.734 18.638 1.00 0.00 H ATOM 502 HG3 LYS A 28 17.129 2.762 17.419 1.00 0.00 H ATOM 503 HD2 LYS A 28 18.849 0.925 17.121 1.00 0.00 H ATOM 504 HD3 LYS A 28 17.841 -0.100 18.168 1.00 0.00 H ATOM 505 HE2 LYS A 28 17.049 1.164 15.519 1.00 0.00 H ATOM 506 HE3 LYS A 28 15.916 0.322 16.602 1.00 0.00 H ATOM 507 HZ1 LYS A 28 18.264 -0.908 15.244 1.00 0.00 H ATOM 508 HZ2 LYS A 28 17.182 -1.712 16.279 1.00 0.00 H ATOM 509 HZ3 LYS A 28 16.636 -1.094 14.794 1.00 0.00 H ATOM 510 H LYS A 28 18.363 4.695 17.881 1.00 0.00 H ATOM 511 N LEU A 29 19.794 4.835 20.793 1.00 16.84 N ATOM 512 CA LEU A 29 20.642 5.234 21.912 1.00 16.41 C ATOM 513 C LEU A 29 20.023 6.429 22.606 1.00 16.92 C ATOM 514 O LEU A 29 20.027 6.503 23.859 1.00 16.36 O ATOM 515 CB LEU A 29 22.077 5.529 21.453 1.00 16.26 C ATOM 516 CG LEU A 29 23.050 6.048 22.515 1.00 16.76 C ATOM 517 CD1 LEU A 29 23.062 5.096 23.701 1.00 16.47 C ATOM 518 CD2 LEU A 29 24.450 6.201 21.885 1.00 17.67 C ATOM 519 HA LEU A 29 20.706 4.408 22.620 1.00 0.00 H ATOM 520 HB2 LEU A 29 22.491 4.605 21.050 1.00 0.00 H ATOM 521 HB3 LEU A 29 22.023 6.277 20.662 1.00 0.00 H ATOM 522 HG LEU A 29 22.734 7.026 22.879 1.00 0.00 H ATOM 523 HD21 LEU A 29 24.790 5.233 21.518 1.00 0.00 H ATOM 524 HD22 LEU A 29 24.399 6.908 21.057 1.00 0.00 H ATOM 525 HD23 LEU A 29 25.147 6.570 22.637 1.00 0.00 H ATOM 526 HD11 LEU A 29 22.060 5.034 24.125 1.00 0.00 H ATOM 527 HD12 LEU A 29 23.380 4.108 23.369 1.00 0.00 H ATOM 528 HD13 LEU A 29 23.755 5.467 24.456 1.00 0.00 H ATOM 529 H LEU A 29 20.111 5.004 19.817 1.00 0.00 H ATOM 530 N LEU A 30 19.447 7.343 21.820 1.00 15.57 N ATOM 531 CA LEU A 30 18.818 8.519 22.424 1.00 15.77 C ATOM 532 C LEU A 30 17.659 8.067 23.288 1.00 16.42 C ATOM 533 O LEU A 30 17.466 8.604 24.399 1.00 17.55 O ATOM 534 CB LEU A 30 18.401 9.501 21.298 1.00 15.65 C ATOM 535 CG LEU A 30 17.717 10.780 21.696 1.00 17.55 C ATOM 536 CD1 LEU A 30 18.557 11.504 22.722 1.00 16.71 C ATOM 537 CD2 LEU A 30 17.552 11.602 20.399 1.00 18.10 C ATOM 538 HA LEU A 30 19.510 9.055 23.074 1.00 0.00 H ATOM 539 HB2 LEU A 30 19.305 9.772 20.753 1.00 0.00 H ATOM 540 HB3 LEU A 30 17.724 8.964 20.633 1.00 0.00 H ATOM 541 HG LEU A 30 16.743 10.606 22.154 1.00 0.00 H ATOM 542 HD21 LEU A 30 18.534 11.799 19.968 1.00 0.00 H ATOM 543 HD22 LEU A 30 16.948 11.039 19.688 1.00 0.00 H ATOM 544 HD23 LEU A 30 17.058 12.546 20.629 1.00 0.00 H ATOM 545 HD11 LEU A 30 18.682 10.870 23.600 1.00 0.00 H ATOM 546 HD12 LEU A 30 19.534 11.732 22.295 1.00 0.00 H ATOM 547 HD13 LEU A 30 18.059 12.430 23.009 1.00 0.00 H ATOM 548 H LEU A 30 19.445 7.220 20.787 1.00 0.00 H ATOM 549 N GLN A 31 16.903 7.053 22.862 1.00 16.79 N ATOM 550 CA GLN A 31 15.816 6.564 23.692 1.00 18.13 C ATOM 551 C GLN A 31 16.319 5.958 25.008 1.00 17.24 C ATOM 552 O GLN A 31 15.655 6.092 26.038 1.00 17.79 O ATOM 553 CB GLN A 31 14.945 5.593 22.886 1.00 21.45 C ATOM 554 CG GLN A 31 14.119 6.358 21.834 1.00 24.92 C ATOM 555 CD GLN A 31 13.196 7.437 22.424 1.00 26.81 C ATOM 556 OE1 GLN A 31 12.913 8.459 21.786 1.00 28.75 O ATOM 557 NE2 GLN A 31 12.713 7.207 23.648 1.00 29.86 N ATOM 558 HA GLN A 31 15.194 7.410 23.984 1.00 0.00 H ATOM 559 HB2 GLN A 31 15.586 4.869 22.383 1.00 0.00 H ATOM 560 HB3 GLN A 31 14.269 5.070 23.563 1.00 0.00 H ATOM 561 HG2 GLN A 31 14.809 6.839 21.140 1.00 0.00 H ATOM 562 HG3 GLN A 31 13.504 5.639 21.293 1.00 0.00 H ATOM 563 HE22 GLN A 31 12.973 6.337 24.154 1.00 0.00 H ATOM 564 HE21 GLN A 31 12.077 7.898 24.095 1.00 0.00 H ATOM 565 H GLN A 31 17.092 6.614 21.938 1.00 0.00 H ATOM 566 N LEU A 32 17.494 5.307 24.987 1.00 15.77 N ATOM 567 CA LEU A 32 18.070 4.755 26.209 1.00 14.63 C ATOM 568 C LEU A 32 18.449 5.895 27.140 1.00 13.68 C ATOM 569 O LEU A 32 18.258 5.774 28.357 1.00 13.31 O ATOM 570 CB LEU A 32 19.314 3.932 25.911 1.00 16.13 C ATOM 571 CG LEU A 32 19.015 2.574 25.275 1.00 18.58 C ATOM 572 CD1 LEU A 32 20.291 1.961 24.770 1.00 20.70 C ATOM 573 CD2 LEU A 32 18.337 1.698 26.315 1.00 22.17 C ATOM 574 HA LEU A 32 17.327 4.106 26.674 1.00 0.00 H ATOM 575 HB2 LEU A 32 19.947 4.500 25.229 1.00 0.00 H ATOM 576 HB3 LEU A 32 19.848 3.764 26.846 1.00 0.00 H ATOM 577 HG LEU A 32 18.346 2.682 24.421 1.00 0.00 H ATOM 578 HD21 LEU A 32 19.000 1.572 27.171 1.00 0.00 H ATOM 579 HD22 LEU A 32 17.410 2.172 26.639 1.00 0.00 H ATOM 580 HD23 LEU A 32 18.116 0.724 25.879 1.00 0.00 H ATOM 581 HD11 LEU A 32 20.739 2.619 24.026 1.00 0.00 H ATOM 582 HD12 LEU A 32 20.983 1.827 25.602 1.00 0.00 H ATOM 583 HD13 LEU A 32 20.074 0.993 24.318 1.00 0.00 H ATOM 584 H LEU A 32 18.001 5.195 24.086 1.00 0.00 H ATOM 585 N THR A 33 18.980 6.991 26.600 1.00 13.42 N ATOM 586 CA THR A 33 19.348 8.081 27.500 1.00 12.96 C ATOM 587 C THR A 33 18.124 8.742 28.117 1.00 13.65 C ATOM 588 O THR A 33 18.159 9.169 29.285 1.00 12.67 O ATOM 589 CB THR A 33 20.236 9.134 26.820 1.00 13.48 C ATOM 590 OG1 THR A 33 19.530 9.745 25.733 1.00 15.60 O ATOM 591 CG2 THR A 33 21.567 8.508 26.358 1.00 15.01 C ATOM 592 HA THR A 33 19.933 7.624 28.299 1.00 0.00 H ATOM 593 HB THR A 33 20.479 9.914 27.542 1.00 0.00 H ATOM 594 HG1 THR A 33 20.111 10.421 25.302 1.00 0.00 H ATOM 595 HG23 THR A 33 22.070 8.056 27.213 1.00 0.00 H ATOM 596 HG21 THR A 33 21.366 7.744 25.607 1.00 0.00 H ATOM 597 HG22 THR A 33 22.202 9.283 25.929 1.00 0.00 H ATOM 598 H THR A 33 19.127 7.068 25.573 1.00 0.00 H ATOM 599 N VAL A 34 17.038 8.838 27.345 1.00 13.20 N ATOM 600 CA VAL A 34 15.804 9.410 27.863 1.00 13.88 C ATOM 601 C VAL A 34 15.326 8.526 29.041 1.00 12.55 C ATOM 602 O VAL A 34 14.997 9.016 30.131 1.00 13.43 O ATOM 603 CB VAL A 34 14.708 9.498 26.773 1.00 14.31 C ATOM 604 CG1 VAL A 34 13.380 9.811 27.382 1.00 15.35 C ATOM 605 CG2 VAL A 34 15.096 10.517 25.710 1.00 15.04 C ATOM 606 HA VAL A 34 15.994 10.429 28.199 1.00 0.00 H ATOM 607 HB VAL A 34 14.621 8.527 26.285 1.00 0.00 H ATOM 608 HG11 VAL A 34 13.112 9.026 28.089 1.00 0.00 H ATOM 609 HG12 VAL A 34 13.437 10.767 27.903 1.00 0.00 H ATOM 610 HG13 VAL A 34 12.626 9.868 26.597 1.00 0.00 H ATOM 611 HG21 VAL A 34 15.215 11.496 26.174 1.00 0.00 H ATOM 612 HG22 VAL A 34 16.035 10.216 25.246 1.00 0.00 H ATOM 613 HG23 VAL A 34 14.314 10.565 24.952 1.00 0.00 H ATOM 614 H VAL A 34 17.075 8.500 26.362 1.00 0.00 H ATOM 615 N TRP A 35 15.354 7.210 28.857 1.00 13.04 N ATOM 616 CA TRP A 35 14.946 6.289 29.908 1.00 13.11 C ATOM 617 C TRP A 35 15.869 6.429 31.141 1.00 13.13 C ATOM 618 O TRP A 35 15.418 6.409 32.278 1.00 12.76 O ATOM 619 CB TRP A 35 14.988 4.861 29.319 1.00 14.19 C ATOM 620 CG TRP A 35 14.672 3.785 30.334 1.00 15.43 C ATOM 621 CD1 TRP A 35 13.454 3.258 30.609 1.00 17.15 C ATOM 622 CD2 TRP A 35 15.610 3.101 31.191 1.00 15.26 C ATOM 623 NE1 TRP A 35 13.553 2.281 31.572 1.00 17.80 N ATOM 624 CE2 TRP A 35 14.860 2.165 31.963 1.00 15.57 C ATOM 625 CE3 TRP A 35 16.990 3.196 31.393 1.00 15.49 C ATOM 626 CZ2 TRP A 35 15.459 1.324 32.905 1.00 15.31 C ATOM 627 CZ3 TRP A 35 17.600 2.355 32.349 1.00 16.17 C ATOM 628 CH2 TRP A 35 16.815 1.437 33.090 1.00 14.74 C ATOM 629 HA TRP A 35 13.936 6.514 30.250 1.00 0.00 H ATOM 630 HB2 TRP A 35 14.260 4.799 28.510 1.00 0.00 H ATOM 631 HB3 TRP A 35 15.987 4.680 28.922 1.00 0.00 H ATOM 632 HE1 TRP A 35 12.761 1.719 31.944 1.00 0.00 H ATOM 633 HD1 TRP A 35 12.523 3.566 30.132 1.00 0.00 H ATOM 634 HZ2 TRP A 35 14.870 0.604 33.473 1.00 0.00 H ATOM 635 HH2 TRP A 35 17.302 0.801 33.829 1.00 0.00 H ATOM 636 HZ3 TRP A 35 18.675 2.412 32.517 1.00 0.00 H ATOM 637 HE3 TRP A 35 17.586 3.908 30.822 1.00 0.00 H ATOM 638 H TRP A 35 15.674 6.830 27.943 1.00 0.00 H ATOM 639 N GLY A 36 17.176 6.556 30.893 1.00 12.50 N ATOM 640 CA GLY A 36 18.118 6.668 31.998 1.00 12.50 C ATOM 641 C GLY A 36 17.887 7.936 32.817 1.00 11.58 C ATOM 642 O GLY A 36 17.917 7.875 34.042 1.00 11.70 O ATOM 643 HA3 GLY A 36 19.131 6.687 31.597 1.00 0.00 H ATOM 644 HA2 GLY A 36 18.002 5.802 32.649 1.00 0.00 H ATOM 645 H GLY A 36 17.520 6.575 29.912 1.00 0.00 H ATOM 646 N ILE A 37 17.656 9.084 32.174 1.00 11.85 N ATOM 647 CA ILE A 37 17.383 10.303 32.884 1.00 11.18 C ATOM 648 C ILE A 37 16.082 10.105 33.703 1.00 11.99 C ATOM 649 O ILE A 37 16.026 10.526 34.860 1.00 12.24 O ATOM 650 CB ILE A 37 17.262 11.439 31.882 1.00 11.22 C ATOM 651 CG1 ILE A 37 18.636 11.739 31.281 1.00 12.70 C ATOM 652 CG2 ILE A 37 16.680 12.660 32.600 1.00 13.25 C ATOM 653 CD1 ILE A 37 18.571 12.560 29.955 1.00 13.00 C ATOM 654 HA ILE A 37 18.188 10.555 33.574 1.00 0.00 H ATOM 655 HB ILE A 37 16.596 11.165 31.063 1.00 0.00 H ATOM 656 HG12 ILE A 37 19.215 12.306 32.010 1.00 0.00 H ATOM 657 HG13 ILE A 37 19.137 10.793 31.077 1.00 0.00 H ATOM 658 HD11 ILE A 37 18.004 12.001 29.211 1.00 0.00 H ATOM 659 HD12 ILE A 37 18.082 13.515 30.144 1.00 0.00 H ATOM 660 HD13 ILE A 37 19.582 12.735 29.587 1.00 0.00 H ATOM 661 HG21 ILE A 37 15.698 12.410 33.001 1.00 0.00 H ATOM 662 HG22 ILE A 37 17.343 12.951 33.415 1.00 0.00 H ATOM 663 HG23 ILE A 37 16.587 13.485 31.894 1.00 0.00 H ATOM 664 H ILE A 37 17.674 9.096 31.134 1.00 0.00 H ATOM 665 N LYS A 38 15.069 9.465 33.094 1.00 11.84 N ATOM 666 CA LYS A 38 13.825 9.215 33.809 1.00 13.62 C ATOM 667 C LYS A 38 14.060 8.399 35.083 1.00 12.64 C ATOM 668 O LYS A 38 13.490 8.724 36.163 1.00 12.58 O ATOM 669 CB LYS A 38 12.840 8.512 32.861 1.00 15.00 C ATOM 670 CG LYS A 38 11.429 8.437 33.369 1.00 17.76 C ATOM 671 CD LYS A 38 10.545 7.835 32.247 1.00 20.78 C ATOM 672 CE LYS A 38 9.046 7.955 32.600 1.00 25.34 C ATOM 673 NZ LYS A 38 8.721 7.069 33.722 1.00 29.03 N ATOM 674 HA LYS A 38 13.399 10.166 34.129 1.00 0.00 H ATOM 675 HB2 LYS A 38 12.833 9.054 31.915 1.00 0.00 H ATOM 676 HB3 LYS A 38 13.196 7.495 32.693 1.00 0.00 H ATOM 677 HG2 LYS A 38 11.388 7.801 34.254 1.00 0.00 H ATOM 678 HG3 LYS A 38 11.074 9.436 33.624 1.00 0.00 H ATOM 679 HD2 LYS A 38 10.736 8.369 31.316 1.00 0.00 H ATOM 680 HD3 LYS A 38 10.798 6.783 32.119 1.00 0.00 H ATOM 681 HE2 LYS A 38 8.447 7.674 31.733 1.00 0.00 H ATOM 682 HE3 LYS A 38 8.822 8.985 32.877 1.00 0.00 H ATOM 683 HZ1 LYS A 38 8.933 6.086 33.458 1.00 0.00 H ATOM 684 HZ2 LYS A 38 9.290 7.337 34.550 1.00 0.00 H ATOM 685 HZ3 LYS A 38 7.710 7.158 33.951 1.00 0.00 H ATOM 686 H LYS A 38 15.174 9.147 32.109 1.00 0.00 H ATOM 687 N GLN A 39 14.916 7.371 35.001 1.00 11.99 N ATOM 688 CA GLN A 39 15.176 6.573 36.189 1.00 11.84 C ATOM 689 C GLN A 39 15.907 7.372 37.259 1.00 12.24 C ATOM 690 O GLN A 39 15.601 7.271 38.453 1.00 12.42 O ATOM 691 CB GLN A 39 16.049 5.339 35.900 1.00 12.90 C ATOM 692 CG GLN A 39 15.580 4.440 34.757 1.00 14.71 C ATOM 693 CD GLN A 39 14.118 4.213 34.747 1.00 17.73 C ATOM 694 OE1 GLN A 39 13.596 3.581 35.669 1.00 22.45 O ATOM 695 NE2 GLN A 39 13.420 4.701 33.701 1.00 20.02 N ATOM 696 HA GLN A 39 14.189 6.264 36.532 1.00 0.00 H ATOM 697 HB2 GLN A 39 17.053 5.689 35.659 1.00 0.00 H ATOM 698 HB3 GLN A 39 16.084 4.735 36.807 1.00 0.00 H ATOM 699 HG2 GLN A 39 15.864 4.905 33.813 1.00 0.00 H ATOM 700 HG3 GLN A 39 16.079 3.475 34.850 1.00 0.00 H ATOM 701 HE22 GLN A 39 13.909 5.228 32.949 1.00 0.00 H ATOM 702 HE21 GLN A 39 12.392 4.551 33.646 1.00 0.00 H ATOM 703 H GLN A 39 15.387 7.147 34.101 1.00 0.00 H ATOM 704 N LEU A 40 16.883 8.195 36.854 1.00 10.89 N ATOM 705 CA LEU A 40 17.632 8.980 37.853 1.00 11.44 C ATOM 706 C LEU A 40 16.763 10.046 38.497 1.00 10.71 C ATOM 707 O LEU A 40 16.848 10.258 39.701 1.00 11.30 O ATOM 708 CB LEU A 40 18.860 9.648 37.198 1.00 12.26 C ATOM 709 CG LEU A 40 19.827 8.591 36.635 1.00 12.85 C ATOM 710 CD1 LEU A 40 21.007 9.367 36.066 1.00 16.06 C ATOM 711 CD2 LEU A 40 20.293 7.526 37.650 1.00 17.91 C ATOM 712 HA LEU A 40 17.958 8.289 38.630 1.00 0.00 H ATOM 713 HB2 LEU A 40 18.525 10.293 36.386 1.00 0.00 H ATOM 714 HB3 LEU A 40 19.381 10.247 37.945 1.00 0.00 H ATOM 715 HG LEU A 40 19.306 8.003 35.880 1.00 0.00 H ATOM 716 HD21 LEU A 40 20.810 8.015 38.476 1.00 0.00 H ATOM 717 HD22 LEU A 40 19.427 6.986 38.031 1.00 0.00 H ATOM 718 HD23 LEU A 40 20.970 6.828 37.157 1.00 0.00 H ATOM 719 HD11 LEU A 40 20.655 10.038 35.283 1.00 0.00 H ATOM 720 HD12 LEU A 40 21.475 9.948 36.861 1.00 0.00 H ATOM 721 HD13 LEU A 40 21.732 8.668 35.649 1.00 0.00 H ATOM 722 H LEU A 40 17.111 8.280 35.843 1.00 0.00 H ATOM 723 N GLN A 41 15.911 10.692 37.704 1.00 11.62 N ATOM 724 CA GLN A 41 15.038 11.695 38.322 1.00 11.12 C ATOM 725 C GLN A 41 14.081 11.031 39.332 1.00 10.98 C ATOM 726 O GLN A 41 13.883 11.585 40.404 1.00 12.39 O ATOM 727 CB GLN A 41 14.241 12.447 37.257 1.00 11.92 C ATOM 728 CG GLN A 41 13.250 13.381 37.845 1.00 11.53 C ATOM 729 CD GLN A 41 12.280 13.933 36.838 1.00 12.64 C ATOM 730 OE1 GLN A 41 11.814 13.226 35.962 1.00 13.16 O ATOM 731 NE2 GLN A 41 11.972 15.220 36.973 1.00 13.67 N ATOM 732 HA GLN A 41 15.666 12.410 38.854 1.00 0.00 H ATOM 733 HB2 GLN A 41 14.934 13.016 36.638 1.00 0.00 H ATOM 734 HB3 GLN A 41 13.714 11.722 36.637 1.00 0.00 H ATOM 735 HG2 GLN A 41 12.687 12.850 38.612 1.00 0.00 H ATOM 736 HG3 GLN A 41 13.787 14.213 38.300 1.00 0.00 H ATOM 737 HE22 GLN A 41 12.399 15.779 37.739 1.00 0.00 H ATOM 738 HE21 GLN A 41 11.305 15.667 36.312 1.00 0.00 H ATOM 739 H GLN A 41 15.866 10.493 36.684 1.00 0.00 H ATOM 740 N ALA A 42 13.571 9.845 38.994 1.00 12.53 N ATOM 741 CA ALA A 42 12.642 9.185 39.928 1.00 12.08 C ATOM 742 C ALA A 42 13.383 8.856 41.218 1.00 14.57 C ATOM 743 O ALA A 42 12.820 8.975 42.296 1.00 15.73 O ATOM 744 CB ALA A 42 12.035 7.954 39.295 1.00 13.83 C ATOM 745 HA ALA A 42 11.817 9.857 40.166 1.00 0.00 H ATOM 746 HB1 ALA A 42 11.488 8.241 38.397 1.00 0.00 H ATOM 747 HB2 ALA A 42 12.828 7.254 39.031 1.00 0.00 H ATOM 748 HB3 ALA A 42 11.352 7.482 40.002 1.00 0.00 H ATOM 749 H ALA A 42 13.824 9.396 38.091 1.00 0.00 H ATOM 750 N ARG A 43 14.647 8.446 41.147 1.00 13.64 N ATOM 751 CA ARG A 43 15.412 8.150 42.327 1.00 16.22 C ATOM 752 C ARG A 43 15.606 9.411 43.196 1.00 15.07 C ATOM 753 O ARG A 43 15.441 9.372 44.435 1.00 17.46 O ATOM 754 CB ARG A 43 16.772 7.626 41.852 1.00 18.06 C ATOM 755 CG ARG A 43 17.706 7.309 42.895 1.00 22.64 C ATOM 756 CD ARG A 43 17.232 6.108 43.679 1.00 25.20 C ATOM 757 NE ARG A 43 18.302 5.922 44.577 1.00 27.65 N ATOM 758 CZ ARG A 43 18.943 4.798 44.758 1.00 20.75 C ATOM 759 NH1 ARG A 43 18.607 3.666 44.107 1.00 24.75 N ATOM 760 NH2 ARG A 43 19.983 4.899 45.516 1.00 23.93 N ATOM 761 HA ARG A 43 14.893 7.414 42.941 1.00 0.00 H ATOM 762 HB2 ARG A 43 16.600 6.722 41.268 1.00 0.00 H ATOM 763 HB3 ARG A 43 17.223 8.388 41.216 1.00 0.00 H ATOM 764 HG2 ARG A 43 18.678 7.089 42.453 1.00 0.00 H ATOM 765 HG3 ARG A 43 17.799 8.163 43.566 1.00 0.00 H ATOM 766 HD2 ARG A 43 17.096 5.239 43.035 1.00 0.00 H ATOM 767 HD3 ARG A 43 16.301 6.317 44.206 1.00 0.00 H ATOM 768 HE ARG A 43 18.605 6.743 45.139 1.00 0.00 H ATOM 769 HH12 ARG A 43 19.141 2.790 44.277 1.00 0.00 H ATOM 770 HH11 ARG A 43 17.814 3.669 43.434 1.00 0.00 H ATOM 771 HH22 ARG A 43 20.561 4.059 45.721 1.00 0.00 H ATOM 772 HH21 ARG A 43 20.243 5.821 45.922 1.00 0.00 H ATOM 773 H ARG A 43 15.093 8.337 40.214 1.00 0.00 H ATOM 774 N ILE A 44 15.930 10.529 42.553 1.00 14.44 N ATOM 775 CA ILE A 44 16.181 11.794 43.242 1.00 14.63 C ATOM 776 C ILE A 44 14.906 12.326 43.887 1.00 16.35 C ATOM 777 O ILE A 44 14.984 12.862 44.991 1.00 19.28 O ATOM 778 CB ILE A 44 16.801 12.854 42.280 1.00 15.70 C ATOM 779 CG1 ILE A 44 18.236 12.422 41.940 1.00 16.08 C ATOM 780 CG2 ILE A 44 16.817 14.226 42.941 1.00 16.89 C ATOM 781 CD1 ILE A 44 18.765 13.127 40.739 1.00 19.48 C ATOM 782 HA ILE A 44 16.906 11.600 44.032 1.00 0.00 H ATOM 783 HB ILE A 44 16.202 12.919 41.372 1.00 0.00 H ATOM 784 HG12 ILE A 44 18.881 12.644 42.790 1.00 0.00 H ATOM 785 HG13 ILE A 44 18.244 11.349 41.750 1.00 0.00 H ATOM 786 HD11 ILE A 44 18.131 12.905 39.880 1.00 0.00 H ATOM 787 HD12 ILE A 44 18.768 14.202 40.922 1.00 0.00 H ATOM 788 HD13 ILE A 44 19.782 12.788 40.539 1.00 0.00 H ATOM 789 HG21 ILE A 44 15.797 14.522 43.186 1.00 0.00 H ATOM 790 HG22 ILE A 44 17.413 14.182 43.853 1.00 0.00 H ATOM 791 HG23 ILE A 44 17.253 14.953 42.256 1.00 0.00 H ATOM 792 H ILE A 44 16.008 10.502 41.516 1.00 0.00 H ATOM 793 N LEU A 45 13.747 12.150 43.258 1.00 15.72 N ATOM 794 CA LEU A 45 12.515 12.682 43.883 1.00 15.80 C ATOM 795 C LEU A 45 11.903 11.710 44.867 1.00 18.22 C ATOM 796 O LEU A 45 11.053 12.187 45.658 1.00 19.14 O ATOM 797 CB LEU A 45 11.505 13.032 42.801 1.00 15.66 C ATOM 798 CG LEU A 45 11.867 14.181 41.878 1.00 15.35 C ATOM 799 CD1 LEU A 45 10.793 14.298 40.823 1.00 17.27 C ATOM 800 CD2 LEU A 45 11.954 15.485 42.701 1.00 18.49 C ATOM 801 HA LEU A 45 12.789 13.576 44.443 1.00 0.00 H ATOM 802 OXT LEU A 45 12.258 10.488 44.884 1.00 20.39 O ATOM 803 HB2 LEU A 45 11.360 12.145 42.184 1.00 0.00 H ATOM 804 HB3 LEU A 45 10.567 13.287 43.294 1.00 0.00 H ATOM 805 HG LEU A 45 12.831 14.003 41.401 1.00 0.00 H ATOM 806 HD21 LEU A 45 10.990 15.682 43.171 1.00 0.00 H ATOM 807 HD22 LEU A 45 12.719 15.377 43.470 1.00 0.00 H ATOM 808 HD23 LEU A 45 12.214 16.313 42.041 1.00 0.00 H ATOM 809 HD11 LEU A 45 10.737 13.367 40.258 1.00 0.00 H ATOM 810 HD12 LEU A 45 9.834 14.491 41.303 1.00 0.00 H ATOM 811 HD13 LEU A 45 11.036 15.120 40.149 1.00 0.00 H ATOM 812 H LEU A 45 13.707 11.650 42.347 1.00 0.00 H TER 813 LEU A 45 HETATM 814 CA ACE B 0 21.648 19.329 -22.925 1.00 54.89 C HETATM 815 C ACE B 0 20.645 18.684 -22.017 1.00 54.85 C HETATM 816 O ACE B 0 20.397 17.481 -22.124 1.00 54.90 O HETATM 817 H3 ACE B 0 21.730 20.388 -22.680 1.00 0.00 H HETATM 818 H2 ACE B 0 21.323 19.218 -23.960 1.00 0.00 H HETATM 819 H1 ACE B 0 22.617 18.848 -22.794 1.00 0.00 H ATOM 820 N ARG B 1 20.055 19.471 -21.117 1.00 54.75 N ATOM 821 CA ARG B 1 19.063 18.974 -20.165 1.00 54.58 C ATOM 822 C ARG B 1 19.717 18.124 -19.074 1.00 54.54 C ATOM 823 O ARG B 1 19.454 18.307 -17.884 1.00 54.51 O ATOM 824 CB ARG B 1 17.998 18.140 -20.887 1.00 54.54 C ATOM 825 CG ARG B 1 16.832 17.716 -20.010 1.00 54.10 C ATOM 826 CD ARG B 1 15.803 16.909 -20.800 1.00 54.18 C ATOM 827 NE ARG B 1 14.531 16.776 -20.086 1.00 54.02 N ATOM 828 CZ ARG B 1 13.675 17.774 -19.870 1.00 54.03 C ATOM 829 NH1 ARG B 1 13.941 18.996 -20.312 1.00 53.79 N ATOM 830 NH2 ARG B 1 12.543 17.551 -19.206 1.00 53.77 N ATOM 831 HA ARG B 1 18.594 19.840 -19.699 1.00 0.00 H ATOM 832 HB2 ARG B 1 17.605 18.731 -21.715 1.00 0.00 H ATOM 833 HB3 ARG B 1 18.475 17.241 -21.278 1.00 0.00 H ATOM 834 HG2 ARG B 1 17.209 17.104 -19.190 1.00 0.00 H ATOM 835 HG3 ARG B 1 16.350 18.606 -19.606 1.00 0.00 H ATOM 836 HD2 ARG B 1 16.206 15.914 -20.986 1.00 0.00 H ATOM 837 HD3 ARG B 1 15.620 17.409 -21.751 1.00 0.00 H ATOM 838 HE ARG B 1 14.278 15.835 -19.722 1.00 0.00 H ATOM 839 HH12 ARG B 1 13.268 19.770 -20.139 1.00 0.00 H ATOM 840 HH11 ARG B 1 14.823 19.181 -20.831 1.00 0.00 H ATOM 841 HH22 ARG B 1 11.876 18.331 -19.038 1.00 0.00 H ATOM 842 HH21 ARG B 1 12.325 16.597 -18.855 1.00 0.00 H ATOM 843 H ARG B 1 20.311 20.479 -21.091 1.00 0.00 H ATOM 844 N MET B 2 20.575 17.195 -19.480 1.00 54.42 N ATOM 845 CA MET B 2 21.231 16.334 -18.515 1.00 54.44 C ATOM 846 C MET B 2 22.311 17.087 -17.755 1.00 54.51 C ATOM 847 O MET B 2 22.649 16.723 -16.629 1.00 54.42 O ATOM 848 CB MET B 2 21.808 15.085 -19.202 1.00 54.68 C ATOM 849 CG MET B 2 22.889 15.333 -20.238 1.00 54.76 C ATOM 850 SD MET B 2 23.144 13.859 -21.275 1.00 55.63 S ATOM 851 CE MET B 2 22.370 14.387 -22.822 1.00 55.29 C ATOM 852 HA MET B 2 20.483 16.007 -17.792 1.00 0.00 H ATOM 853 HB2 MET B 2 22.229 14.443 -18.428 1.00 0.00 H ATOM 854 HB3 MET B 2 20.986 14.566 -19.695 1.00 0.00 H ATOM 855 HG2 MET B 2 23.822 15.578 -19.730 1.00 0.00 H ATOM 856 HG3 MET B 2 22.592 16.169 -20.872 1.00 0.00 H ATOM 857 HE1 MET B 2 21.320 14.616 -22.642 1.00 0.00 H ATOM 858 HE2 MET B 2 22.878 15.276 -23.196 1.00 0.00 H ATOM 859 HE3 MET B 2 22.447 13.586 -23.557 1.00 0.00 H ATOM 860 H MET B 2 20.777 17.085 -20.494 1.00 0.00 H ATOM 861 N LYS B 3 22.841 18.145 -18.362 1.00 54.34 N ATOM 862 CA LYS B 3 23.870 18.941 -17.702 1.00 54.29 C ATOM 863 C LYS B 3 23.286 19.429 -16.384 1.00 54.33 C ATOM 864 O LYS B 3 23.968 19.455 -15.353 1.00 54.60 O ATOM 865 CB LYS B 3 24.273 20.131 -18.581 1.00 54.05 C ATOM 866 CG LYS B 3 25.287 21.080 -17.956 1.00 54.04 C ATOM 867 CD LYS B 3 24.629 22.086 -17.018 1.00 54.12 C ATOM 868 CE LYS B 3 25.637 23.108 -16.513 1.00 54.37 C ATOM 869 NZ LYS B 3 25.004 24.156 -15.656 1.00 53.92 N ATOM 870 HA LYS B 3 24.765 18.344 -17.529 1.00 0.00 H ATOM 871 HB2 LYS B 3 24.700 19.740 -19.504 1.00 0.00 H ATOM 872 HB3 LYS B 3 23.373 20.701 -18.811 1.00 0.00 H ATOM 873 HG2 LYS B 3 26.014 20.496 -17.392 1.00 0.00 H ATOM 874 HG3 LYS B 3 25.798 21.623 -18.751 1.00 0.00 H ATOM 875 HD2 LYS B 3 23.834 22.605 -17.554 1.00 0.00 H ATOM 876 HD3 LYS B 3 24.205 21.554 -16.167 1.00 0.00 H ATOM 877 HE2 LYS B 3 26.105 23.592 -17.370 1.00 0.00 H ATOM 878 HE3 LYS B 3 26.398 22.591 -15.929 1.00 0.00 H ATOM 879 HZ1 LYS B 3 24.281 24.662 -16.206 1.00 0.00 H ATOM 880 HZ2 LYS B 3 24.561 23.705 -14.830 1.00 0.00 H ATOM 881 HZ3 LYS B 3 25.731 24.828 -15.337 1.00 0.00 H ATOM 882 H LYS B 3 22.519 18.407 -19.316 1.00 0.00 H ATOM 883 N GLN B 4 22.014 19.811 -16.426 1.00 53.94 N ATOM 884 CA GLN B 4 21.319 20.272 -15.236 1.00 53.69 C ATOM 885 C GLN B 4 21.329 19.143 -14.212 1.00 53.19 C ATOM 886 O GLN B 4 21.456 19.382 -13.008 1.00 53.10 O ATOM 887 CB GLN B 4 19.873 20.631 -15.580 1.00 54.21 C ATOM 888 CG GLN B 4 19.127 21.373 -14.477 1.00 55.15 C ATOM 889 CD GLN B 4 18.111 20.510 -13.732 1.00 55.56 C ATOM 890 OE1 GLN B 4 17.230 19.898 -14.343 1.00 56.19 O ATOM 891 NE2 GLN B 4 18.221 20.472 -12.403 1.00 55.66 N ATOM 892 HA GLN B 4 21.814 21.157 -14.836 1.00 0.00 H ATOM 893 HB2 GLN B 4 19.881 21.261 -16.470 1.00 0.00 H ATOM 894 HB3 GLN B 4 19.334 19.708 -15.794 1.00 0.00 H ATOM 895 HG2 GLN B 4 19.857 21.744 -13.757 1.00 0.00 H ATOM 896 HG3 GLN B 4 18.600 22.216 -14.925 1.00 0.00 H ATOM 897 HE22 GLN B 4 18.979 21.003 -11.929 1.00 0.00 H ATOM 898 HE21 GLN B 4 17.549 19.911 -11.841 1.00 0.00 H ATOM 899 H GLN B 4 21.504 19.779 -17.332 1.00 0.00 H ATOM 900 N ILE B 5 21.190 17.912 -14.705 1.00 52.58 N ATOM 901 CA ILE B 5 21.173 16.731 -13.853 1.00 51.70 C ATOM 902 C ILE B 5 22.471 16.595 -13.060 1.00 51.26 C ATOM 903 O ILE B 5 22.470 16.131 -11.920 1.00 51.09 O ATOM 904 CB ILE B 5 20.927 15.444 -14.687 1.00 51.71 C ATOM 905 CG1 ILE B 5 19.500 15.453 -15.246 1.00 51.48 C ATOM 906 CG2 ILE B 5 21.144 14.203 -13.831 1.00 51.41 C ATOM 907 CD1 ILE B 5 19.121 14.194 -16.017 1.00 51.33 C ATOM 908 HA ILE B 5 20.351 16.856 -13.148 1.00 0.00 H ATOM 909 HB ILE B 5 21.637 15.422 -15.514 1.00 0.00 H ATOM 910 HG12 ILE B 5 18.807 15.565 -14.412 1.00 0.00 H ATOM 911 HG13 ILE B 5 19.401 16.307 -15.916 1.00 0.00 H ATOM 912 HD11 ILE B 5 19.796 14.072 -16.864 1.00 0.00 H ATOM 913 HD12 ILE B 5 19.201 13.329 -15.359 1.00 0.00 H ATOM 914 HD13 ILE B 5 18.096 14.285 -16.377 1.00 0.00 H ATOM 915 HG21 ILE B 5 22.169 14.194 -13.459 1.00 0.00 H ATOM 916 HG22 ILE B 5 20.451 14.218 -12.990 1.00 0.00 H ATOM 917 HG23 ILE B 5 20.967 13.312 -14.433 1.00 0.00 H ATOM 918 H ILE B 5 21.090 17.791 -15.733 1.00 0.00 H ATOM 919 N GLU B 6 23.575 17.017 -13.662 1.00 50.54 N ATOM 920 CA GLU B 6 24.875 16.938 -13.013 1.00 50.01 C ATOM 921 C GLU B 6 24.977 17.977 -11.904 1.00 49.32 C ATOM 922 O GLU B 6 25.579 17.725 -10.859 1.00 49.24 O ATOM 923 CB GLU B 6 25.976 17.162 -14.043 1.00 50.43 C ATOM 924 CG GLU B 6 25.804 16.314 -15.289 1.00 51.26 C ATOM 925 CD GLU B 6 26.734 16.740 -16.400 1.00 51.68 C ATOM 926 OE1 GLU B 6 26.917 17.967 -16.557 1.00 52.29 O ATOM 927 OE2 GLU B 6 27.265 15.862 -17.116 1.00 52.25 O ATOM 928 HA GLU B 6 24.992 15.948 -12.572 1.00 0.00 H ATOM 929 HB2 GLU B 6 25.971 18.212 -14.334 1.00 0.00 H ATOM 930 HB3 GLU B 6 26.935 16.917 -13.586 1.00 0.00 H ATOM 931 HG2 GLU B 6 26.010 15.274 -15.037 1.00 0.00 H ATOM 932 HG3 GLU B 6 24.775 16.405 -15.637 1.00 0.00 H ATOM 933 H GLU B 6 23.510 17.414 -14.621 1.00 0.00 H ATOM 934 N ASP B 7 24.392 19.149 -12.128 1.00 48.32 N ATOM 935 CA ASP B 7 24.436 20.186 -11.113 1.00 47.23 C ATOM 936 C ASP B 7 23.530 19.855 -9.926 1.00 46.09 C ATOM 937 O ASP B 7 23.941 20.021 -8.773 1.00 45.71 O ATOM 938 CB ASP B 7 24.051 21.540 -11.703 1.00 47.92 C ATOM 939 CG ASP B 7 24.999 21.980 -12.788 1.00 48.33 C ATOM 940 OD1 ASP B 7 26.192 21.602 -12.729 1.00 48.43 O ATOM 941 OD2 ASP B 7 24.551 22.714 -13.690 1.00 48.94 O ATOM 942 HA ASP B 7 25.462 20.237 -10.750 1.00 0.00 H ATOM 943 HB2 ASP B 7 23.047 21.468 -12.122 1.00 0.00 H ATOM 944 HB3 ASP B 7 24.058 22.285 -10.907 1.00 0.00 H ATOM 945 H ASP B 7 23.903 19.323 -13.029 1.00 0.00 H ATOM 946 N LYS B 8 22.310 19.389 -10.201 1.00 44.57 N ATOM 947 CA LYS B 8 21.380 19.028 -9.129 1.00 43.01 C ATOM 948 C LYS B 8 22.046 17.923 -8.318 1.00 41.20 C ATOM 949 O LYS B 8 21.892 17.840 -7.098 1.00 40.61 O ATOM 950 CB LYS B 8 20.037 18.548 -9.708 1.00 43.49 C ATOM 951 CG LYS B 8 20.155 17.388 -10.695 1.00 44.78 C ATOM 952 CD LYS B 8 18.983 17.320 -11.702 1.00 45.38 C ATOM 953 CE LYS B 8 17.663 16.876 -11.068 1.00 45.64 C ATOM 954 NZ LYS B 8 16.562 16.766 -12.069 1.00 45.55 N ATOM 955 HA LYS B 8 21.162 19.891 -8.500 1.00 0.00 H ATOM 956 HB2 LYS B 8 19.403 18.229 -8.881 1.00 0.00 H ATOM 957 HB3 LYS B 8 19.567 19.387 -10.222 1.00 0.00 H ATOM 958 HG2 LYS B 8 21.085 17.501 -11.253 1.00 0.00 H ATOM 959 HG3 LYS B 8 20.182 16.455 -10.132 1.00 0.00 H ATOM 960 HD2 LYS B 8 18.842 18.310 -12.137 1.00 0.00 H ATOM 961 HD3 LYS B 8 19.244 16.613 -12.489 1.00 0.00 H ATOM 962 HE2 LYS B 8 17.376 17.604 -10.309 1.00 0.00 H ATOM 963 HE3 LYS B 8 17.809 15.903 -10.599 1.00 0.00 H ATOM 964 HZ1 LYS B 8 16.409 17.692 -12.517 1.00 0.00 H ATOM 965 HZ2 LYS B 8 16.823 16.067 -12.794 1.00 0.00 H ATOM 966 HZ3 LYS B 8 15.690 16.463 -11.591 1.00 0.00 H ATOM 967 H LYS B 8 22.015 19.281 -11.192 1.00 0.00 H ATOM 968 N ILE B 9 22.806 17.079 -9.002 1.00 39.40 N ATOM 969 CA ILE B 9 23.515 16.002 -8.333 1.00 37.29 C ATOM 970 C ILE B 9 24.617 16.536 -7.418 1.00 36.07 C ATOM 971 O ILE B 9 24.753 16.064 -6.292 1.00 34.70 O ATOM 972 CB ILE B 9 24.087 15.012 -9.358 1.00 37.14 C ATOM 973 CG1 ILE B 9 22.957 14.082 -9.812 1.00 36.95 C ATOM 974 CG2 ILE B 9 25.249 14.215 -8.759 1.00 37.06 C ATOM 975 CD1 ILE B 9 23.253 13.294 -11.066 1.00 36.89 C ATOM 976 HA ILE B 9 22.798 15.473 -7.705 1.00 0.00 H ATOM 977 HB ILE B 9 24.482 15.555 -10.216 1.00 0.00 H ATOM 978 HG12 ILE B 9 22.754 13.376 -9.007 1.00 0.00 H ATOM 979 HG13 ILE B 9 22.070 14.689 -9.994 1.00 0.00 H ATOM 980 HD11 ILE B 9 23.445 13.982 -11.889 1.00 0.00 H ATOM 981 HD12 ILE B 9 24.130 12.668 -10.902 1.00 0.00 H ATOM 982 HD13 ILE B 9 22.397 12.665 -11.309 1.00 0.00 H ATOM 983 HG21 ILE B 9 26.040 14.901 -8.455 1.00 0.00 H ATOM 984 HG22 ILE B 9 24.896 13.657 -7.891 1.00 0.00 H ATOM 985 HG23 ILE B 9 25.635 13.522 -9.506 1.00 0.00 H ATOM 986 H ILE B 9 22.896 17.190 -10.032 1.00 0.00 H ATOM 987 N GLU B 10 25.390 17.517 -7.887 1.00 34.23 N ATOM 988 CA GLU B 10 26.463 18.094 -7.074 1.00 33.04 C ATOM 989 C GLU B 10 25.761 18.718 -5.878 1.00 32.53 C ATOM 990 O GLU B 10 26.301 18.758 -4.779 1.00 32.14 O ATOM 991 CB GLU B 10 27.278 19.178 -7.847 1.00 32.87 C ATOM 992 CG GLU B 10 28.407 19.837 -6.991 1.00 33.10 C ATOM 993 CD GLU B 10 29.324 20.825 -7.747 1.00 33.56 C ATOM 994 OE1 GLU B 10 29.283 20.847 -8.999 1.00 34.07 O ATOM 995 OE2 GLU B 10 30.104 21.569 -7.084 1.00 32.41 O ATOM 996 HA GLU B 10 27.186 17.329 -6.790 1.00 0.00 H ATOM 997 HB2 GLU B 10 27.734 18.710 -8.719 1.00 0.00 H ATOM 998 HB3 GLU B 10 26.591 19.959 -8.173 1.00 0.00 H ATOM 999 HG2 GLU B 10 27.935 20.377 -6.170 1.00 0.00 H ATOM 1000 HG3 GLU B 10 29.032 19.040 -6.588 1.00 0.00 H ATOM 1001 H GLU B 10 25.228 17.879 -8.848 1.00 0.00 H ATOM 1002 N GLU B 11 24.540 19.185 -6.100 1.00 31.82 N ATOM 1003 CA GLU B 11 23.783 19.794 -5.018 1.00 31.36 C ATOM 1004 C GLU B 11 23.367 18.735 -3.998 1.00 30.15 C ATOM 1005 O GLU B 11 23.528 18.944 -2.798 1.00 28.89 O ATOM 1006 CB GLU B 11 22.543 20.514 -5.536 1.00 33.18 C ATOM 1007 CG GLU B 11 21.732 21.142 -4.423 1.00 35.22 C ATOM 1008 CD GLU B 11 22.390 22.384 -3.822 1.00 36.93 C ATOM 1009 OE1 GLU B 11 23.619 22.381 -3.575 1.00 38.03 O ATOM 1010 OE2 GLU B 11 21.668 23.373 -3.579 1.00 38.85 O ATOM 1011 HA GLU B 11 24.432 20.528 -4.540 1.00 0.00 H ATOM 1012 HB2 GLU B 11 22.856 21.297 -6.226 1.00 0.00 H ATOM 1013 HB3 GLU B 11 21.916 19.796 -6.064 1.00 0.00 H ATOM 1014 HG2 GLU B 11 20.758 21.425 -4.822 1.00 0.00 H ATOM 1015 HG3 GLU B 11 21.599 20.404 -3.632 1.00 0.00 H ATOM 1016 H GLU B 11 24.123 19.116 -7.050 1.00 0.00 H ATOM 1017 N ILE B 12 22.844 17.603 -4.471 1.00 29.09 N ATOM 1018 CA ILE B 12 22.431 16.533 -3.550 1.00 28.34 C ATOM 1019 C ILE B 12 23.646 16.043 -2.761 1.00 27.83 C ATOM 1020 O ILE B 12 23.545 15.773 -1.560 1.00 26.46 O ATOM 1021 CB ILE B 12 21.800 15.342 -4.325 1.00 28.74 C ATOM 1022 CG1 ILE B 12 20.362 15.696 -4.701 1.00 28.84 C ATOM 1023 CG2 ILE B 12 21.822 14.091 -3.501 1.00 28.70 C ATOM 1024 CD1 ILE B 12 19.820 14.916 -5.890 1.00 29.69 C ATOM 1025 HA ILE B 12 21.681 16.935 -2.868 1.00 0.00 H ATOM 1026 HB ILE B 12 22.385 15.159 -5.226 1.00 0.00 H ATOM 1027 HG12 ILE B 12 19.724 15.496 -3.840 1.00 0.00 H ATOM 1028 HG13 ILE B 12 20.323 16.758 -4.942 1.00 0.00 H ATOM 1029 HD11 ILE B 12 20.439 15.114 -6.765 1.00 0.00 H ATOM 1030 HD12 ILE B 12 19.840 13.850 -5.663 1.00 0.00 H ATOM 1031 HD13 ILE B 12 18.795 15.227 -6.090 1.00 0.00 H ATOM 1032 HG21 ILE B 12 22.853 13.839 -3.252 1.00 0.00 H ATOM 1033 HG22 ILE B 12 21.255 14.251 -2.584 1.00 0.00 H ATOM 1034 HG23 ILE B 12 21.374 13.275 -4.069 1.00 0.00 H ATOM 1035 H ILE B 12 22.728 17.476 -5.497 1.00 0.00 H ATOM 1036 N GLU B 13 24.793 15.928 -3.423 1.00 27.40 N ATOM 1037 CA GLU B 13 26.007 15.475 -2.762 1.00 26.92 C ATOM 1038 C GLU B 13 26.416 16.476 -1.678 1.00 26.36 C ATOM 1039 O GLU B 13 26.870 16.087 -0.597 1.00 25.75 O ATOM 1040 CB GLU B 13 27.134 15.278 -3.805 1.00 28.34 C ATOM 1041 CG GLU B 13 26.807 14.144 -4.810 1.00 29.72 C ATOM 1042 CD GLU B 13 27.857 13.965 -5.900 1.00 31.77 C ATOM 1043 OE1 GLU B 13 28.437 14.982 -6.331 1.00 33.64 O ATOM 1044 OE2 GLU B 13 28.090 12.806 -6.327 1.00 32.24 O ATOM 1045 HA GLU B 13 25.823 14.515 -2.280 1.00 0.00 H ATOM 1046 HB2 GLU B 13 27.270 16.208 -4.356 1.00 0.00 H ATOM 1047 HB3 GLU B 13 28.058 15.029 -3.282 1.00 0.00 H ATOM 1048 HG2 GLU B 13 26.723 13.208 -4.257 1.00 0.00 H ATOM 1049 HG3 GLU B 13 25.853 14.371 -5.286 1.00 0.00 H ATOM 1050 H GLU B 13 24.823 16.167 -4.435 1.00 0.00 H ATOM 1051 N SER B 14 26.231 17.759 -1.950 1.00 26.17 N ATOM 1052 CA SER B 14 26.596 18.801 -0.999 1.00 26.31 C ATOM 1053 C SER B 14 25.700 18.685 0.221 1.00 25.81 C ATOM 1054 O SER B 14 26.196 18.779 1.339 1.00 25.13 O ATOM 1055 CB SER B 14 26.445 20.198 -1.625 1.00 26.71 C ATOM 1056 OG SER B 14 26.713 21.242 -0.695 1.00 30.07 O ATOM 1057 HA SER B 14 27.640 18.671 -0.714 1.00 0.00 H ATOM 1058 HB2 SER B 14 25.425 20.309 -1.992 1.00 0.00 H ATOM 1059 HB3 SER B 14 27.141 20.285 -2.459 1.00 0.00 H ATOM 1060 HG SER B 14 26.081 21.177 0.064 1.00 0.00 H ATOM 1061 H SER B 14 25.815 18.029 -2.864 1.00 0.00 H ATOM 1062 N LYS B 15 24.395 18.517 0.009 1.00 24.70 N ATOM 1063 CA LYS B 15 23.470 18.373 1.151 1.00 25.41 C ATOM 1064 C LYS B 15 23.767 17.081 1.938 1.00 24.45 C ATOM 1065 O LYS B 15 23.594 17.026 3.171 1.00 24.50 O ATOM 1066 CB LYS B 15 22.023 18.362 0.672 1.00 26.20 C ATOM 1067 CG LYS B 15 21.479 19.723 0.285 1.00 29.07 C ATOM 1068 CD LYS B 15 20.031 19.602 -0.220 1.00 30.97 C ATOM 1069 CE LYS B 15 19.445 20.942 -0.603 1.00 32.08 C ATOM 1070 NZ LYS B 15 20.345 21.714 -1.502 1.00 34.63 N ATOM 1071 HA LYS B 15 23.619 19.228 1.811 1.00 0.00 H ATOM 1072 HB2 LYS B 15 21.957 17.709 -0.198 1.00 0.00 H ATOM 1073 HB3 LYS B 15 21.402 17.962 1.473 1.00 0.00 H ATOM 1074 HG2 LYS B 15 21.502 20.379 1.155 1.00 0.00 H ATOM 1075 HG3 LYS B 15 22.100 20.146 -0.504 1.00 0.00 H ATOM 1076 HD2 LYS B 15 20.017 18.950 -1.093 1.00 0.00 H ATOM 1077 HD3 LYS B 15 19.419 19.164 0.569 1.00 0.00 H ATOM 1078 HE2 LYS B 15 19.273 21.522 0.304 1.00 0.00 H ATOM 1079 HE3 LYS B 15 18.496 20.777 -1.113 1.00 0.00 H ATOM 1080 HZ1 LYS B 15 21.251 21.883 -1.021 1.00 0.00 H ATOM 1081 HZ2 LYS B 15 20.510 21.172 -2.374 1.00 0.00 H ATOM 1082 HZ3 LYS B 15 19.901 22.624 -1.737 1.00 0.00 H ATOM 1083 H LYS B 15 24.027 18.487 -0.963 1.00 0.00 H ATOM 1084 N GLN B 16 24.193 16.039 1.247 1.00 24.12 N ATOM 1085 CA GLN B 16 24.534 14.783 1.904 1.00 23.82 C ATOM 1086 C GLN B 16 25.732 14.986 2.838 1.00 23.67 C ATOM 1087 O GLN B 16 25.751 14.486 3.979 1.00 22.84 O ATOM 1088 CB GLN B 16 24.863 13.756 0.834 1.00 25.71 C ATOM 1089 CG GLN B 16 24.729 12.331 1.232 1.00 29.64 C ATOM 1090 CD GLN B 16 24.564 11.444 0.004 1.00 32.26 C ATOM 1091 OE1 GLN B 16 25.462 11.352 -0.817 1.00 34.89 O ATOM 1092 NE2 GLN B 16 23.403 10.803 -0.135 1.00 32.74 N ATOM 1093 HA GLN B 16 23.694 14.433 2.504 1.00 0.00 H ATOM 1094 HB2 GLN B 16 24.197 13.930 -0.011 1.00 0.00 H ATOM 1095 HB3 GLN B 16 25.894 13.919 0.521 1.00 0.00 H ATOM 1096 HG2 GLN B 16 25.622 12.026 1.777 1.00 0.00 H ATOM 1097 HG3 GLN B 16 23.856 12.219 1.875 1.00 0.00 H ATOM 1098 HE22 GLN B 16 22.662 10.907 0.587 1.00 0.00 H ATOM 1099 HE21 GLN B 16 23.239 10.199 -0.966 1.00 0.00 H ATOM 1100 H GLN B 16 24.287 16.116 0.214 1.00 0.00 H ATOM 1101 N LYS B 17 26.733 15.718 2.365 1.00 22.83 N ATOM 1102 CA LYS B 17 27.916 15.983 3.179 1.00 22.59 C ATOM 1103 C LYS B 17 27.493 16.801 4.406 1.00 22.31 C ATOM 1104 O LYS B 17 27.953 16.539 5.515 1.00 21.02 O ATOM 1105 CB LYS B 17 28.973 16.756 2.357 1.00 22.86 C ATOM 1106 CG LYS B 17 30.326 16.846 3.055 1.00 26.69 C ATOM 1107 CD LYS B 17 31.043 15.524 2.932 1.00 29.27 C ATOM 1108 CE LYS B 17 32.016 15.323 4.051 1.00 31.75 C ATOM 1109 NZ LYS B 17 32.733 14.015 3.940 1.00 34.25 N ATOM 1110 HA LYS B 17 28.361 15.041 3.499 1.00 0.00 H ATOM 1111 HB2 LYS B 17 29.108 16.249 1.402 1.00 0.00 H ATOM 1112 HB3 LYS B 17 28.605 17.767 2.182 1.00 0.00 H ATOM 1113 HG2 LYS B 17 30.924 17.629 2.589 1.00 0.00 H ATOM 1114 HG3 LYS B 17 30.177 17.082 4.109 1.00 0.00 H ATOM 1115 HD2 LYS B 17 30.308 14.719 2.952 1.00 0.00 H ATOM 1116 HD3 LYS B 17 31.582 15.499 1.985 1.00 0.00 H ATOM 1117 HE2 LYS B 17 31.475 15.349 4.997 1.00 0.00 H ATOM 1118 HE3 LYS B 17 32.749 16.130 4.030 1.00 0.00 H ATOM 1119 HZ1 LYS B 17 32.041 13.239 3.966 1.00 0.00 H ATOM 1120 HZ2 LYS B 17 33.258 13.984 3.043 1.00 0.00 H ATOM 1121 HZ3 LYS B 17 33.397 13.916 4.735 1.00 0.00 H ATOM 1122 H LYS B 17 26.674 16.108 1.403 1.00 0.00 H ATOM 1123 N LYS B 18 26.599 17.767 4.223 1.00 21.81 N ATOM 1124 CA LYS B 18 26.149 18.555 5.374 1.00 21.74 C ATOM 1125 C LYS B 18 25.423 17.664 6.378 1.00 20.62 C ATOM 1126 O LYS B 18 25.597 17.839 7.577 1.00 19.85 O ATOM 1127 CB LYS B 18 25.223 19.682 4.964 1.00 24.04 C ATOM 1128 CG LYS B 18 25.938 20.881 4.401 1.00 27.30 C ATOM 1129 CD LYS B 18 24.924 21.857 3.863 1.00 29.23 C ATOM 1130 CE LYS B 18 25.598 22.928 3.025 1.00 30.50 C ATOM 1131 NZ LYS B 18 24.577 23.861 2.472 1.00 33.57 N ATOM 1132 HA LYS B 18 27.040 18.987 5.829 1.00 0.00 H ATOM 1133 HB2 LYS B 18 24.536 19.304 4.207 1.00 0.00 H ATOM 1134 HB3 LYS B 18 24.658 19.999 5.840 1.00 0.00 H ATOM 1135 HG2 LYS B 18 26.523 21.359 5.187 1.00 0.00 H ATOM 1136 HG3 LYS B 18 26.602 20.565 3.597 1.00 0.00 H ATOM 1137 HD2 LYS B 18 24.204 21.320 3.245 1.00 0.00 H ATOM 1138 HD3 LYS B 18 24.405 22.329 4.697 1.00 0.00 H ATOM 1139 HE2 LYS B 18 26.139 22.457 2.204 1.00 0.00 H ATOM 1140 HE3 LYS B 18 26.298 23.486 3.647 1.00 0.00 H ATOM 1141 HZ1 LYS B 18 23.910 23.330 1.877 1.00 0.00 H ATOM 1142 HZ2 LYS B 18 24.062 24.312 3.254 1.00 0.00 H ATOM 1143 HZ3 LYS B 18 25.049 24.590 1.900 1.00 0.00 H ATOM 1144 H LYS B 18 26.223 17.962 3.273 1.00 0.00 H ATOM 1145 N ILE B 19 24.642 16.707 5.887 1.00 19.99 N ATOM 1146 CA ILE B 19 23.889 15.802 6.762 1.00 19.98 C ATOM 1147 C ILE B 19 24.875 14.922 7.517 1.00 20.44 C ATOM 1148 O ILE B 19 24.734 14.705 8.735 1.00 20.23 O ATOM 1149 CB ILE B 19 22.896 14.941 5.914 1.00 20.09 C ATOM 1150 CG1 ILE B 19 21.725 15.824 5.464 1.00 21.49 C ATOM 1151 CG2 ILE B 19 22.440 13.694 6.682 1.00 20.80 C ATOM 1152 CD1 ILE B 19 20.906 15.251 4.296 1.00 21.18 C ATOM 1153 HA ILE B 19 23.301 16.374 7.480 1.00 0.00 H ATOM 1154 HB ILE B 19 23.402 14.569 5.023 1.00 0.00 H ATOM 1155 HG12 ILE B 19 21.056 15.962 6.314 1.00 0.00 H ATOM 1156 HG13 ILE B 19 22.125 16.790 5.158 1.00 0.00 H ATOM 1157 HD11 ILE B 19 21.554 15.118 3.430 1.00 0.00 H ATOM 1158 HD12 ILE B 19 20.485 14.289 4.587 1.00 0.00 H ATOM 1159 HD13 ILE B 19 20.100 15.941 4.046 1.00 0.00 H ATOM 1160 HG21 ILE B 19 23.308 13.082 6.926 1.00 0.00 H ATOM 1161 HG22 ILE B 19 21.938 13.998 7.601 1.00 0.00 H ATOM 1162 HG23 ILE B 19 21.751 13.119 6.063 1.00 0.00 H ATOM 1163 H ILE B 19 24.563 16.597 4.856 1.00 0.00 H ATOM 1164 N GLU B 20 25.911 14.434 6.836 1.00 20.24 N ATOM 1165 CA GLU B 20 26.889 13.579 7.503 1.00 20.43 C ATOM 1166 C GLU B 20 27.638 14.362 8.576 1.00 20.88 C ATOM 1167 O GLU B 20 27.930 13.819 9.645 1.00 20.23 O ATOM 1168 CB GLU B 20 27.861 12.978 6.484 1.00 22.94 C ATOM 1169 CG GLU B 20 27.169 12.050 5.499 1.00 25.51 C ATOM 1170 CD GLU B 20 28.076 11.604 4.378 1.00 29.04 C ATOM 1171 OE1 GLU B 20 29.128 12.252 4.177 1.00 30.40 O ATOM 1172 OE2 GLU B 20 27.731 10.616 3.691 1.00 30.73 O ATOM 1173 HA GLU B 20 26.360 12.759 7.989 1.00 0.00 H ATOM 1174 HB2 GLU B 20 28.332 13.789 5.929 1.00 0.00 H ATOM 1175 HB3 GLU B 20 28.625 12.414 7.019 1.00 0.00 H ATOM 1176 HG2 GLU B 20 26.820 11.168 6.037 1.00 0.00 H ATOM 1177 HG3 GLU B 20 26.315 12.573 5.069 1.00 0.00 H ATOM 1178 H GLU B 20 26.023 14.662 5.828 1.00 0.00 H ATOM 1179 N ASN B 21 27.935 15.624 8.321 1.00 20.53 N ATOM 1180 CA ASN B 21 28.637 16.425 9.328 1.00 21.87 C ATOM 1181 C ASN B 21 27.741 16.692 10.527 1.00 21.75 C ATOM 1182 O ASN B 21 28.212 16.698 11.674 1.00 21.80 O ATOM 1183 CB ASN B 21 29.149 17.729 8.720 1.00 24.15 C ATOM 1184 CG ASN B 21 30.391 17.501 7.872 1.00 25.28 C ATOM 1185 OD1 ASN B 21 31.142 16.550 8.099 1.00 28.26 O ATOM 1186 ND2 ASN B 21 30.601 18.349 6.870 1.00 26.78 N ATOM 1187 HA ASN B 21 29.499 15.857 9.677 1.00 0.00 H ATOM 1188 HB2 ASN B 21 28.367 18.159 8.094 1.00 0.00 H ATOM 1189 HB3 ASN B 21 29.392 18.423 9.524 1.00 0.00 H ATOM 1190 HD22 ASN B 21 29.944 19.139 6.711 1.00 0.00 H ATOM 1191 HD21 ASN B 21 31.422 18.222 6.245 1.00 0.00 H ATOM 1192 H ASN B 21 27.671 16.048 7.409 1.00 0.00 H ATOM 1193 N GLU B 22 26.459 16.916 10.274 1.00 20.99 N ATOM 1194 CA GLU B 22 25.521 17.151 11.369 1.00 20.36 C ATOM 1195 C GLU B 22 25.402 15.864 12.187 1.00 19.79 C ATOM 1196 O GLU B 22 25.410 15.910 13.445 1.00 18.87 O ATOM 1197 CB GLU B 22 24.157 17.578 10.825 1.00 22.89 C ATOM 1198 CG GLU B 22 23.163 17.992 11.901 1.00 25.86 C ATOM 1199 CD GLU B 22 23.728 19.012 12.882 1.00 27.97 C ATOM 1200 OE1 GLU B 22 24.302 20.042 12.444 1.00 30.05 O ATOM 1201 OE2 GLU B 22 23.589 18.771 14.118 1.00 31.29 O ATOM 1202 HA GLU B 22 25.886 17.957 12.005 1.00 0.00 H ATOM 1203 HB2 GLU B 22 24.305 18.422 10.152 1.00 0.00 H ATOM 1204 HB3 GLU B 22 23.732 16.742 10.269 1.00 0.00 H ATOM 1205 HG2 GLU B 22 22.288 18.425 11.416 1.00 0.00 H ATOM 1206 HG3 GLU B 22 22.865 17.104 12.458 1.00 0.00 H ATOM 1207 H GLU B 22 26.119 16.924 9.291 1.00 0.00 H ATOM 1208 N ILE B 23 25.308 14.714 11.518 1.00 18.92 N ATOM 1209 CA ILE B 23 25.209 13.447 12.254 1.00 18.60 C ATOM 1210 C ILE B 23 26.456 13.252 13.118 1.00 19.09 C ATOM 1211 O ILE B 23 26.358 12.784 14.260 1.00 18.74 O ATOM 1212 CB ILE B 23 25.059 12.271 11.244 1.00 18.79 C ATOM 1213 CG1 ILE B 23 23.647 12.296 10.701 1.00 20.45 C ATOM 1214 CG2 ILE B 23 25.403 10.922 11.880 1.00 20.11 C ATOM 1215 CD1 ILE B 23 23.446 11.395 9.539 1.00 22.51 C ATOM 1216 HA ILE B 23 24.335 13.469 12.904 1.00 0.00 H ATOM 1217 HB ILE B 23 25.769 12.398 10.427 1.00 0.00 H ATOM 1218 HG12 ILE B 23 22.966 11.993 11.496 1.00 0.00 H ATOM 1219 HG13 ILE B 23 23.413 13.315 10.393 1.00 0.00 H ATOM 1220 HD11 ILE B 23 24.114 11.693 8.730 1.00 0.00 H ATOM 1221 HD12 ILE B 23 23.666 10.369 9.834 1.00 0.00 H ATOM 1222 HD13 ILE B 23 22.412 11.464 9.202 1.00 0.00 H ATOM 1223 HG21 ILE B 23 26.435 10.940 12.232 1.00 0.00 H ATOM 1224 HG22 ILE B 23 24.734 10.737 12.721 1.00 0.00 H ATOM 1225 HG23 ILE B 23 25.284 10.132 11.139 1.00 0.00 H ATOM 1226 H ILE B 23 25.305 14.715 10.478 1.00 0.00 H ATOM 1227 N ALA B 24 27.633 13.631 12.617 1.00 18.44 N ATOM 1228 CA ALA B 24 28.841 13.463 13.420 1.00 18.86 C ATOM 1229 C ALA B 24 28.774 14.341 14.665 1.00 18.66 C ATOM 1230 O ALA B 24 29.223 13.902 15.757 1.00 19.32 O ATOM 1231 CB ALA B 24 30.096 13.807 12.573 1.00 19.39 C ATOM 1232 HA ALA B 24 28.913 12.423 13.738 1.00 0.00 H ATOM 1233 HB1 ALA B 24 30.144 13.143 11.710 1.00 0.00 H ATOM 1234 HB2 ALA B 24 30.032 14.841 12.234 1.00 0.00 H ATOM 1235 HB3 ALA B 24 30.991 13.678 13.182 1.00 0.00 H ATOM 1236 H ALA B 24 27.690 14.042 11.663 1.00 0.00 H ATOM 1237 N ARG B 25 28.205 15.542 14.548 1.00 18.57 N ATOM 1238 CA ARG B 25 28.098 16.449 15.709 1.00 19.19 C ATOM 1239 C ARG B 25 27.114 15.849 16.722 1.00 18.69 C ATOM 1240 O ARG B 25 27.381 15.840 17.940 1.00 17.93 O ATOM 1241 CB ARG B 25 27.658 17.859 15.287 1.00 20.85 C ATOM 1242 CG ARG B 25 28.796 18.657 14.627 1.00 23.87 C ATOM 1243 CD ARG B 25 28.445 20.110 14.429 1.00 25.32 C ATOM 1244 NE ARG B 25 27.463 20.295 13.376 1.00 27.13 N ATOM 1245 CZ ARG B 25 27.744 20.357 12.075 1.00 27.60 C ATOM 1246 NH1 ARG B 25 29.004 20.256 11.641 1.00 28.92 N ATOM 1247 NH2 ARG B 25 26.751 20.504 11.214 1.00 27.79 N ATOM 1248 HA ARG B 25 29.081 16.549 16.169 1.00 0.00 H ATOM 1249 HB2 ARG B 25 26.835 17.771 14.578 1.00 0.00 H ATOM 1250 HB3 ARG B 25 27.319 18.399 16.171 1.00 0.00 H ATOM 1251 HG2 ARG B 25 29.680 18.594 15.261 1.00 0.00 H ATOM 1252 HG3 ARG B 25 29.015 18.215 13.655 1.00 0.00 H ATOM 1253 HD2 ARG B 25 29.350 20.658 14.167 1.00 0.00 H ATOM 1254 HD3 ARG B 25 28.040 20.504 15.361 1.00 0.00 H ATOM 1255 HE ARG B 25 26.466 20.386 13.658 1.00 0.00 H ATOM 1256 HH12 ARG B 25 29.209 20.306 10.623 1.00 0.00 H ATOM 1257 HH11 ARG B 25 29.780 20.127 12.322 1.00 0.00 H ATOM 1258 HH22 ARG B 25 26.950 20.554 10.194 1.00 0.00 H ATOM 1259 HH21 ARG B 25 25.771 20.569 11.556 1.00 0.00 H ATOM 1260 H ARG B 25 27.831 15.844 13.626 1.00 0.00 H ATOM 1261 N ILE B 26 25.997 15.340 16.221 1.00 17.83 N ATOM 1262 CA ILE B 26 24.983 14.735 17.080 1.00 16.94 C ATOM 1263 C ILE B 26 25.568 13.563 17.857 1.00 18.02 C ATOM 1264 O ILE B 26 25.327 13.422 19.055 1.00 17.73 O ATOM 1265 CB ILE B 26 23.802 14.267 16.225 1.00 17.99 C ATOM 1266 CG1 ILE B 26 23.025 15.495 15.796 1.00 19.88 C ATOM 1267 CG2 ILE B 26 22.922 13.267 17.006 1.00 19.34 C ATOM 1268 CD1 ILE B 26 21.954 15.250 14.721 1.00 21.83 C ATOM 1269 HA ILE B 26 24.637 15.479 17.797 1.00 0.00 H ATOM 1270 HB ILE B 26 24.155 13.736 15.341 1.00 0.00 H ATOM 1271 HG12 ILE B 26 22.531 15.907 16.676 1.00 0.00 H ATOM 1272 HG13 ILE B 26 23.735 16.224 15.405 1.00 0.00 H ATOM 1273 HD11 ILE B 26 22.427 14.852 13.823 1.00 0.00 H ATOM 1274 HD12 ILE B 26 21.222 14.534 15.096 1.00 0.00 H ATOM 1275 HD13 ILE B 26 21.456 16.191 14.485 1.00 0.00 H ATOM 1276 HG21 ILE B 26 23.520 12.400 17.285 1.00 0.00 H ATOM 1277 HG22 ILE B 26 22.537 13.749 17.905 1.00 0.00 H ATOM 1278 HG23 ILE B 26 22.090 12.949 16.378 1.00 0.00 H ATOM 1279 H ILE B 26 25.840 15.372 15.193 1.00 0.00 H ATOM 1280 N LYS B 27 26.331 12.705 17.191 1.00 17.60 N ATOM 1281 CA LYS B 27 26.923 11.544 17.853 1.00 17.90 C ATOM 1282 C LYS B 27 27.886 11.956 18.969 1.00 18.17 C ATOM 1283 O LYS B 27 27.913 11.327 20.013 1.00 18.33 O ATOM 1284 CB LYS B 27 27.607 10.645 16.805 1.00 19.01 C ATOM 1285 CG LYS B 27 26.586 9.982 15.876 1.00 22.27 C ATOM 1286 CD LYS B 27 27.277 9.236 14.711 1.00 24.03 C ATOM 1287 CE LYS B 27 28.262 8.171 15.161 1.00 24.41 C ATOM 1288 NZ LYS B 27 27.580 6.984 15.714 1.00 27.04 N ATOM 1289 HA LYS B 27 26.128 10.973 18.333 1.00 0.00 H ATOM 1290 HB2 LYS B 27 28.287 11.252 16.207 1.00 0.00 H ATOM 1291 HB3 LYS B 27 28.173 9.869 17.320 1.00 0.00 H ATOM 1292 HG2 LYS B 27 25.994 9.270 16.451 1.00 0.00 H ATOM 1293 HG3 LYS B 27 25.930 10.750 15.465 1.00 0.00 H ATOM 1294 HD2 LYS B 27 26.508 8.758 14.105 1.00 0.00 H ATOM 1295 HD3 LYS B 27 27.814 9.966 14.105 1.00 0.00 H ATOM 1296 HE2 LYS B 27 28.911 8.593 15.928 1.00 0.00 H ATOM 1297 HE3 LYS B 27 28.864 7.864 14.306 1.00 0.00 H ATOM 1298 HZ1 LYS B 27 27.008 7.266 16.536 1.00 0.00 H ATOM 1299 HZ2 LYS B 27 26.963 6.570 14.986 1.00 0.00 H ATOM 1300 HZ3 LYS B 27 28.290 6.283 16.008 1.00 0.00 H ATOM 1301 H LYS B 27 26.511 12.862 16.179 1.00 0.00 H ATOM 1302 N LYS B 28 28.653 13.029 18.775 1.00 17.00 N ATOM 1303 CA LYS B 28 29.586 13.471 19.790 1.00 17.21 C ATOM 1304 C LYS B 28 28.833 13.995 21.016 1.00 17.36 C ATOM 1305 O LYS B 28 29.223 13.702 22.165 1.00 17.54 O ATOM 1306 CB LYS B 28 30.539 14.548 19.223 1.00 18.92 C ATOM 1307 CG LYS B 28 31.468 13.981 18.164 1.00 24.56 C ATOM 1308 CD LYS B 28 32.279 15.078 17.464 1.00 26.88 C ATOM 1309 CE LYS B 28 33.033 14.494 16.260 1.00 28.84 C ATOM 1310 NZ LYS B 28 33.999 15.437 15.592 1.00 31.36 N ATOM 1311 HA LYS B 28 30.190 12.618 20.101 1.00 0.00 H ATOM 1312 HB2 LYS B 28 29.945 15.347 18.780 1.00 0.00 H ATOM 1313 HB3 LYS B 28 31.139 14.953 20.038 1.00 0.00 H ATOM 1314 HG2 LYS B 28 32.157 13.282 18.638 1.00 0.00 H ATOM 1315 HG3 LYS B 28 30.872 13.454 17.419 1.00 0.00 H ATOM 1316 HD2 LYS B 28 31.604 15.862 17.121 1.00 0.00 H ATOM 1317 HD3 LYS B 28 32.996 15.501 18.168 1.00 0.00 H ATOM 1318 HE2 LYS B 28 32.297 14.183 15.519 1.00 0.00 H ATOM 1319 HE3 LYS B 28 33.593 13.623 16.602 1.00 0.00 H ATOM 1320 HZ1 LYS B 28 33.483 16.271 15.244 1.00 0.00 H ATOM 1321 HZ2 LYS B 28 34.721 15.736 16.279 1.00 0.00 H ATOM 1322 HZ3 LYS B 28 34.457 14.953 14.793 1.00 0.00 H ATOM 1323 H LYS B 28 28.580 13.556 17.882 1.00 0.00 H ATOM 1324 N LEU B 29 27.745 14.725 20.793 1.00 16.84 N ATOM 1325 CA LEU B 29 26.975 15.259 21.912 1.00 16.41 C ATOM 1326 C LEU B 29 26.250 14.126 22.606 1.00 16.92 C ATOM 1327 O LEU B 29 26.184 14.092 23.859 1.00 16.36 O ATOM 1328 CB LEU B 29 26.002 16.355 21.453 1.00 16.26 C ATOM 1329 CG LEU B 29 25.066 16.938 22.515 1.00 16.76 C ATOM 1330 CD1 LEU B 29 25.885 17.424 23.701 1.00 16.47 C ATOM 1331 CD2 LEU B 29 24.234 18.074 21.885 1.00 17.67 C ATOM 1332 HA LEU B 29 27.658 15.727 22.621 1.00 0.00 H ATOM 1333 HB2 LEU B 29 26.596 17.176 21.050 1.00 0.00 H ATOM 1334 HB3 LEU B 29 25.382 15.935 20.661 1.00 0.00 H ATOM 1335 HG LEU B 29 24.377 16.176 22.879 1.00 0.00 H ATOM 1336 HD21 LEU B 29 24.903 18.852 21.518 1.00 0.00 H ATOM 1337 HD22 LEU B 29 23.648 17.677 21.057 1.00 0.00 H ATOM 1338 HD23 LEU B 29 23.565 18.493 22.637 1.00 0.00 H ATOM 1339 HD11 LEU B 29 26.440 16.587 24.125 1.00 0.00 H ATOM 1340 HD12 LEU B 29 26.582 18.193 23.369 1.00 0.00 H ATOM 1341 HD13 LEU B 29 25.218 17.839 24.456 1.00 0.00 H ATOM 1342 H LEU B 29 27.441 14.917 19.817 1.00 0.00 H ATOM 1343 N LEU B 30 25.746 13.170 21.820 1.00 15.57 N ATOM 1344 CA LEU B 30 25.042 12.037 22.424 1.00 15.77 C ATOM 1345 C LEU B 30 26.013 11.260 23.288 1.00 16.42 C ATOM 1346 O LEU B 30 25.645 10.824 24.399 1.00 17.55 O ATOM 1347 CB LEU B 30 24.400 11.185 21.298 1.00 15.65 C ATOM 1348 CG LEU B 30 23.635 9.953 21.696 1.00 17.55 C ATOM 1349 CD1 LEU B 30 22.588 10.319 22.722 1.00 16.71 C ATOM 1350 CD2 LEU B 30 23.005 9.399 20.399 1.00 18.10 C ATOM 1351 HA LEU B 30 24.232 12.367 23.074 1.00 0.00 H ATOM 1352 HB2 LEU B 30 23.713 11.832 20.753 1.00 0.00 H ATOM 1353 HB3 LEU B 30 25.203 10.868 20.633 1.00 0.00 H ATOM 1354 HG LEU B 30 24.272 9.196 22.154 1.00 0.00 H ATOM 1355 HD21 LEU B 30 22.343 10.150 19.969 1.00 0.00 H ATOM 1356 HD22 LEU B 30 23.795 9.158 19.687 1.00 0.00 H ATOM 1357 HD23 LEU B 30 22.435 8.499 20.629 1.00 0.00 H ATOM 1358 HD11 LEU B 30 23.074 10.745 23.600 1.00 0.00 H ATOM 1359 HD12 LEU B 30 21.902 11.051 22.295 1.00 0.00 H ATOM 1360 HD13 LEU B 30 22.035 9.425 23.009 1.00 0.00 H ATOM 1361 H LEU B 30 25.853 13.230 20.787 1.00 0.00 H ATOM 1362 N GLN B 31 27.269 11.112 22.862 1.00 16.79 N ATOM 1363 CA GLN B 31 28.236 10.415 23.692 1.00 18.13 C ATOM 1364 C GLN B 31 28.510 11.154 25.008 1.00 17.24 C ATOM 1365 O GLN B 31 28.726 10.512 26.038 1.00 17.79 O ATOM 1366 CB GLN B 31 29.513 10.146 22.886 1.00 21.45 C ATOM 1367 CG GLN B 31 29.263 9.048 21.834 1.00 24.92 C ATOM 1368 CD GLN B 31 28.790 7.710 22.424 1.00 26.81 C ATOM 1369 OE1 GLN B 31 28.047 6.954 21.786 1.00 28.75 O ATOM 1370 NE2 GLN B 31 29.231 7.406 23.648 1.00 29.86 N ATOM 1371 HA GLN B 31 27.814 9.454 23.984 1.00 0.00 H ATOM 1372 HB2 GLN B 31 29.820 11.063 22.383 1.00 0.00 H ATOM 1373 HB3 GLN B 31 30.304 9.822 23.563 1.00 0.00 H ATOM 1374 HG2 GLN B 31 28.502 9.405 21.140 1.00 0.00 H ATOM 1375 HG3 GLN B 31 30.193 8.874 21.293 1.00 0.00 H ATOM 1376 HE22 GLN B 31 29.855 8.066 24.155 1.00 0.00 H ATOM 1377 HE21 GLN B 31 28.951 6.509 24.094 1.00 0.00 H ATOM 1378 H GLN B 31 27.555 11.495 21.938 1.00 0.00 H ATOM 1379 N LEU B 32 28.486 12.497 24.987 1.00 15.77 N ATOM 1380 CA LEU B 32 28.676 13.272 26.209 1.00 14.63 C ATOM 1381 C LEU B 32 27.499 13.030 27.140 1.00 13.68 C ATOM 1382 O LEU B 32 27.700 12.925 28.357 1.00 13.31 O ATOM 1383 CB LEU B 32 28.767 14.760 25.911 1.00 16.13 C ATOM 1384 CG LEU B 32 30.092 15.181 25.275 1.00 18.58 C ATOM 1385 CD1 LEU B 32 29.985 16.592 24.770 1.00 20.70 C ATOM 1386 CD2 LEU B 32 31.190 15.031 26.315 1.00 22.17 C ATOM 1387 HA LEU B 32 29.609 12.953 26.674 1.00 0.00 H ATOM 1388 HB2 LEU B 32 27.959 15.025 25.229 1.00 0.00 H ATOM 1389 HB3 LEU B 32 28.645 15.306 26.846 1.00 0.00 H ATOM 1390 HG LEU B 32 30.333 14.549 24.420 1.00 0.00 H ATOM 1391 HD21 LEU B 32 30.967 15.667 27.171 1.00 0.00 H ATOM 1392 HD22 LEU B 32 31.243 13.991 26.638 1.00 0.00 H ATOM 1393 HD23 LEU B 32 32.144 15.327 25.879 1.00 0.00 H ATOM 1394 HD11 LEU B 32 29.191 16.651 24.025 1.00 0.00 H ATOM 1395 HD12 LEU B 32 29.755 17.258 25.602 1.00 0.00 H ATOM 1396 HD13 LEU B 32 30.932 16.887 24.318 1.00 0.00 H ATOM 1397 H LEU B 32 28.330 12.992 24.086 1.00 0.00 H ATOM 1398 N THR B 33 26.285 12.942 26.600 1.00 13.42 N ATOM 1399 CA THR B 33 25.157 12.715 27.500 1.00 12.96 C ATOM 1400 C THR B 33 25.196 11.325 28.117 1.00 13.65 C ATOM 1401 O THR B 33 24.809 11.142 29.285 1.00 12.67 O ATOM 1402 CB THR B 33 23.801 12.958 26.820 1.00 13.48 C ATOM 1403 OG1 THR B 33 23.625 12.041 25.733 1.00 15.60 O ATOM 1404 CG2 THR B 33 23.677 14.424 26.358 1.00 15.01 C ATOM 1405 HA THR B 33 25.261 13.449 28.299 1.00 0.00 H ATOM 1406 HB THR B 33 23.004 12.779 27.542 1.00 0.00 H ATOM 1407 HG1 THR B 33 22.749 12.206 25.302 1.00 0.00 H ATOM 1408 HG23 THR B 33 23.817 15.086 27.213 1.00 0.00 H ATOM 1409 HG21 THR B 33 24.439 14.633 25.607 1.00 0.00 H ATOM 1410 HG22 THR B 33 22.688 14.586 25.929 1.00 0.00 H ATOM 1411 H THR B 33 26.145 13.032 25.573 1.00 0.00 H ATOM 1412 N VAL B 34 25.656 10.336 27.345 1.00 13.20 N ATOM 1413 CA VAL B 34 25.778 8.982 27.863 1.00 13.88 C ATOM 1414 C VAL B 34 26.782 9.010 29.041 1.00 12.55 C ATOM 1415 O VAL B 34 26.522 8.480 30.131 1.00 13.43 O ATOM 1416 CB VAL B 34 26.250 7.989 26.773 1.00 14.31 C ATOM 1417 CG1 VAL B 34 26.642 6.682 27.382 1.00 15.35 C ATOM 1418 CG2 VAL B 34 25.173 7.815 25.710 1.00 15.04 C ATOM 1419 HA VAL B 34 24.800 8.636 28.199 1.00 0.00 H ATOM 1420 HB VAL B 34 27.134 8.399 26.285 1.00 0.00 H ATOM 1421 HG11 VAL B 34 27.456 6.842 28.090 1.00 0.00 H ATOM 1422 HG12 VAL B 34 25.785 6.254 27.902 1.00 0.00 H ATOM 1423 HG13 VAL B 34 26.970 6.001 26.597 1.00 0.00 H ATOM 1424 HG21 VAL B 34 24.266 7.428 26.174 1.00 0.00 H ATOM 1425 HG22 VAL B 34 24.963 8.779 25.246 1.00 0.00 H ATOM 1426 HG23 VAL B 34 25.522 7.114 24.952 1.00 0.00 H ATOM 1427 H VAL B 34 25.930 10.537 26.362 1.00 0.00 H ATOM 1428 N TRP B 35 27.908 9.692 28.857 1.00 13.04 N ATOM 1429 CA TRP B 35 28.910 9.799 29.908 1.00 13.11 C ATOM 1430 C TRP B 35 28.327 10.528 31.141 1.00 13.13 C ATOM 1431 O TRP B 35 28.570 10.148 32.278 1.00 12.76 O ATOM 1432 CB TRP B 35 30.125 10.550 29.319 1.00 14.19 C ATOM 1433 CG TRP B 35 31.215 10.814 30.334 1.00 15.43 C ATOM 1434 CD1 TRP B 35 32.281 10.023 30.609 1.00 17.15 C ATOM 1435 CD2 TRP B 35 31.338 11.968 31.191 1.00 15.26 C ATOM 1436 NE1 TRP B 35 33.077 10.597 31.572 1.00 17.80 N ATOM 1437 CE2 TRP B 35 32.524 11.787 31.963 1.00 15.57 C ATOM 1438 CE3 TRP B 35 30.566 13.116 31.393 1.00 15.49 C ATOM 1439 CZ2 TRP B 35 32.953 12.726 32.905 1.00 15.31 C ATOM 1440 CZ3 TRP B 35 30.989 14.065 32.349 1.00 16.17 C ATOM 1441 CH2 TRP B 35 32.177 13.844 33.090 1.00 14.74 C ATOM 1442 HA TRP B 35 29.221 8.812 30.249 1.00 0.00 H ATOM 1443 HB2 TRP B 35 30.543 9.951 28.510 1.00 0.00 H ATOM 1444 HB3 TRP B 35 29.782 11.506 28.922 1.00 0.00 H ATOM 1445 HE1 TRP B 35 33.959 10.192 31.944 1.00 0.00 H ATOM 1446 HD1 TRP B 35 32.480 9.063 30.132 1.00 0.00 H ATOM 1447 HZ2 TRP B 35 33.871 12.576 33.473 1.00 0.00 H ATOM 1448 HH2 TRP B 35 32.484 14.584 33.829 1.00 0.00 H ATOM 1449 HZ3 TRP B 35 30.402 14.968 32.517 1.00 0.00 H ATOM 1450 HE3 TRP B 35 29.652 13.276 30.821 1.00 0.00 H ATOM 1451 H TRP B 35 28.077 10.159 27.943 1.00 0.00 H ATOM 1452 N GLY B 36 27.563 11.597 30.893 1.00 12.50 N ATOM 1453 CA GLY B 36 26.995 12.357 31.998 1.00 12.50 C ATOM 1454 C GLY B 36 26.013 11.523 32.817 1.00 11.58 C ATOM 1455 O GLY B 36 26.050 11.579 34.042 1.00 11.70 O ATOM 1456 HA3 GLY B 36 26.472 13.225 31.597 1.00 0.00 H ATOM 1457 HA2 GLY B 36 27.803 12.690 32.649 1.00 0.00 H ATOM 1458 H GLY B 36 27.375 11.886 29.912 1.00 0.00 H ATOM 1459 N ILE B 37 25.134 10.748 32.174 1.00 11.85 N ATOM 1460 CA ILE B 37 24.215 9.903 32.884 1.00 11.18 C ATOM 1461 C ILE B 37 25.037 8.875 33.703 1.00 11.99 C ATOM 1462 O ILE B 37 24.700 8.616 34.860 1.00 12.24 O ATOM 1463 CB ILE B 37 23.291 9.230 31.882 1.00 11.22 C ATOM 1464 CG1 ILE B 37 22.345 10.270 31.281 1.00 12.70 C ATOM 1465 CG2 ILE B 37 22.525 8.115 32.600 1.00 13.25 C ATOM 1466 CD1 ILE B 37 21.666 9.803 29.955 1.00 13.00 C ATOM 1467 HA ILE B 37 23.594 10.474 33.574 1.00 0.00 H ATOM 1468 HB ILE B 37 23.860 8.790 31.063 1.00 0.00 H ATOM 1469 HG12 ILE B 37 21.565 10.489 32.010 1.00 0.00 H ATOM 1470 HG13 ILE B 37 22.914 11.177 31.077 1.00 0.00 H ATOM 1471 HD11 ILE B 37 22.433 9.591 29.211 1.00 0.00 H ATOM 1472 HD12 ILE B 37 21.083 8.902 30.145 1.00 0.00 H ATOM 1473 HD13 ILE B 37 21.009 10.592 29.587 1.00 0.00 H ATOM 1474 HG21 ILE B 37 23.233 7.389 33.000 1.00 0.00 H ATOM 1475 HG22 ILE B 37 21.942 8.543 33.415 1.00 0.00 H ATOM 1476 HG23 ILE B 37 21.857 7.622 31.894 1.00 0.00 H ATOM 1477 H ILE B 37 25.115 10.757 31.134 1.00 0.00 H ATOM 1478 N LYS B 38 26.098 8.318 33.094 1.00 11.84 N ATOM 1479 CA LYS B 38 26.936 7.365 33.809 1.00 13.62 C ATOM 1480 C LYS B 38 27.525 7.977 35.083 1.00 12.64 C ATOM 1481 O LYS B 38 27.529 7.321 36.163 1.00 12.58 O ATOM 1482 CB LYS B 38 28.037 6.864 32.861 1.00 15.00 C ATOM 1483 CG LYS B 38 28.808 5.679 33.369 1.00 17.76 C ATOM 1484 CD LYS B 38 29.771 5.215 32.247 1.00 20.78 C ATOM 1485 CE LYS B 38 30.417 3.857 32.600 1.00 25.34 C ATOM 1486 NZ LYS B 38 31.347 4.018 33.722 1.00 29.03 N ATOM 1487 HA LYS B 38 26.326 6.520 34.129 1.00 0.00 H ATOM 1488 HB2 LYS B 38 27.572 6.587 31.915 1.00 0.00 H ATOM 1489 HB3 LYS B 38 28.739 7.681 32.694 1.00 0.00 H ATOM 1490 HG2 LYS B 38 29.379 5.961 34.254 1.00 0.00 H ATOM 1491 HG3 LYS B 38 28.121 4.872 33.624 1.00 0.00 H ATOM 1492 HD2 LYS B 38 29.212 5.113 31.317 1.00 0.00 H ATOM 1493 HD3 LYS B 38 30.555 5.961 32.119 1.00 0.00 H ATOM 1494 HE2 LYS B 38 30.959 3.479 31.733 1.00 0.00 H ATOM 1495 HE3 LYS B 38 29.637 3.148 32.877 1.00 0.00 H ATOM 1496 HZ1 LYS B 38 32.093 4.693 33.458 1.00 0.00 H ATOM 1497 HZ2 LYS B 38 30.830 4.376 34.550 1.00 0.00 H ATOM 1498 HZ3 LYS B 38 31.775 3.098 33.950 1.00 0.00 H ATOM 1499 H LYS B 38 26.321 8.568 32.110 1.00 0.00 H ATOM 1500 N GLN B 39 27.988 9.232 35.001 1.00 11.99 N ATOM 1501 CA GLN B 39 28.549 9.856 36.189 1.00 11.84 C ATOM 1502 C GLN B 39 27.491 10.090 37.259 1.00 12.24 C ATOM 1503 O GLN B 39 27.732 9.875 38.453 1.00 12.42 O ATOM 1504 CB GLN B 39 29.181 11.229 35.900 1.00 12.90 C ATOM 1505 CG GLN B 39 30.194 11.273 34.757 1.00 14.71 C ATOM 1506 CD GLN B 39 31.121 10.120 34.747 1.00 17.73 C ATOM 1507 OE1 GLN B 39 31.930 9.984 35.669 1.00 22.45 O ATOM 1508 NE2 GLN B 39 31.048 9.272 33.701 1.00 20.02 N ATOM 1509 HA GLN B 39 29.310 9.155 36.532 1.00 0.00 H ATOM 1510 HB2 GLN B 39 28.376 11.923 35.659 1.00 0.00 H ATOM 1511 HB3 GLN B 39 29.686 11.561 36.807 1.00 0.00 H ATOM 1512 HG2 GLN B 39 29.649 11.287 33.813 1.00 0.00 H ATOM 1513 HG3 GLN B 39 30.780 12.187 34.850 1.00 0.00 H ATOM 1514 HE22 GLN B 39 30.347 9.432 32.950 1.00 0.00 H ATOM 1515 HE21 GLN B 39 31.693 8.458 33.646 1.00 0.00 H ATOM 1516 H GLN B 39 27.947 9.752 34.101 1.00 0.00 H ATOM 1517 N LEU B 40 26.290 10.524 36.854 1.00 10.89 N ATOM 1518 CA LEU B 40 25.236 10.780 37.853 1.00 11.44 C ATOM 1519 C LEU B 40 24.747 9.494 38.497 1.00 10.71 C ATOM 1520 O LEU B 40 24.521 9.462 39.701 1.00 11.30 O ATOM 1521 CB LEU B 40 24.044 11.509 37.198 1.00 12.26 C ATOM 1522 CG LEU B 40 24.476 12.875 36.635 1.00 12.85 C ATOM 1523 CD1 LEU B 40 23.213 13.509 36.066 1.00 16.06 C ATOM 1524 CD2 LEU B 40 25.165 13.811 37.650 1.00 17.91 C ATOM 1525 HA LEU B 40 25.671 11.408 38.630 1.00 0.00 H ATOM 1526 HB2 LEU B 40 23.653 10.896 36.386 1.00 0.00 H ATOM 1527 HB3 LEU B 40 23.265 11.661 37.945 1.00 0.00 H ATOM 1528 HG LEU B 40 25.246 12.718 35.880 1.00 0.00 H ATOM 1529 HD21 LEU B 40 24.483 14.015 38.476 1.00 0.00 H ATOM 1530 HD22 LEU B 40 26.066 13.331 38.031 1.00 0.00 H ATOM 1531 HD23 LEU B 40 25.431 14.746 37.157 1.00 0.00 H ATOM 1532 HD11 LEU B 40 22.808 12.869 35.283 1.00 0.00 H ATOM 1533 HD12 LEU B 40 22.476 13.624 36.861 1.00 0.00 H ATOM 1534 HD13 LEU B 40 23.455 14.487 35.649 1.00 0.00 H ATOM 1535 H LEU B 40 26.102 10.679 35.843 1.00 0.00 H ATOM 1536 N GLN B 41 24.614 8.433 37.704 1.00 11.62 N ATOM 1537 CA GLN B 41 24.182 7.176 38.322 1.00 11.12 C ATOM 1538 C GLN B 41 25.235 6.679 39.332 1.00 10.98 C ATOM 1539 O GLN B 41 24.855 6.231 40.404 1.00 12.39 O ATOM 1540 CB GLN B 41 23.929 6.110 37.257 1.00 11.92 C ATOM 1541 CG GLN B 41 23.616 4.784 37.845 1.00 11.53 C ATOM 1542 CD GLN B 41 23.623 3.668 36.838 1.00 12.64 C ATOM 1543 OE1 GLN B 41 24.468 3.618 35.962 1.00 13.16 O ATOM 1544 NE2 GLN B 41 22.662 2.758 36.973 1.00 13.67 N ATOM 1545 HA GLN B 41 23.249 7.363 38.854 1.00 0.00 H ATOM 1546 HB2 GLN B 41 23.089 6.426 36.638 1.00 0.00 H ATOM 1547 HB3 GLN B 41 24.820 6.016 36.637 1.00 0.00 H ATOM 1548 HG2 GLN B 41 24.358 4.562 38.612 1.00 0.00 H ATOM 1549 HG3 GLN B 41 22.627 4.832 38.301 1.00 0.00 H ATOM 1550 HE22 GLN B 41 21.965 2.848 37.739 1.00 0.00 H ATOM 1551 HE21 GLN B 41 22.608 1.957 36.312 1.00 0.00 H ATOM 1552 H GLN B 41 24.809 8.494 36.684 1.00 0.00 H ATOM 1553 N ALA B 42 26.517 6.830 38.994 1.00 12.53 N ATOM 1554 CA ALA B 42 27.554 6.356 39.928 1.00 12.08 C ATOM 1555 C ALA B 42 27.468 7.162 41.218 1.00 14.57 C ATOM 1556 O ALA B 42 27.646 6.615 42.296 1.00 15.73 O ATOM 1557 CB ALA B 42 28.923 6.446 39.295 1.00 13.83 C ATOM 1558 HA ALA B 42 27.385 5.306 40.166 1.00 0.00 H ATOM 1559 HB1 ALA B 42 28.948 5.829 38.397 1.00 0.00 H ATOM 1560 HB2 ALA B 42 29.132 7.483 39.031 1.00 0.00 H ATOM 1561 HB3 ALA B 42 29.673 6.091 40.002 1.00 0.00 H ATOM 1562 H ALA B 42 26.779 7.273 38.090 1.00 0.00 H ATOM 1563 N ARG B 43 27.191 8.462 41.147 1.00 13.64 N ATOM 1564 CA ARG B 43 27.065 9.272 42.327 1.00 16.22 C ATOM 1565 C ARG B 43 25.876 8.810 43.196 1.00 15.07 C ATOM 1566 O ARG B 43 25.992 8.686 44.435 1.00 17.46 O ATOM 1567 CB ARG B 43 26.839 10.712 41.852 1.00 18.06 C ATOM 1568 CG ARG B 43 26.646 11.679 42.895 1.00 22.64 C ATOM 1569 CD ARG B 43 27.923 11.869 43.679 1.00 25.20 C ATOM 1570 NE ARG B 43 27.549 12.889 44.577 1.00 27.65 N ATOM 1571 CZ ARG B 43 28.202 14.006 44.758 1.00 20.75 C ATOM 1572 NH1 ARG B 43 29.351 14.281 44.107 1.00 24.75 N ATOM 1573 NH2 ARG B 43 27.595 14.856 45.516 1.00 23.93 N ATOM 1574 HA ARG B 43 27.962 9.190 42.941 1.00 0.00 H ATOM 1575 HB2 ARG B 43 27.708 11.015 41.268 1.00 0.00 H ATOM 1576 HB3 ARG B 43 25.954 10.722 41.215 1.00 0.00 H ATOM 1577 HG2 ARG B 43 26.351 12.631 42.453 1.00 0.00 H ATOM 1578 HG3 ARG B 43 25.860 11.332 43.566 1.00 0.00 H ATOM 1579 HD2 ARG B 43 28.743 12.186 43.035 1.00 0.00 H ATOM 1580 HD3 ARG B 43 28.207 10.958 44.206 1.00 0.00 H ATOM 1581 HE ARG B 43 26.687 12.741 45.139 1.00 0.00 H ATOM 1582 HH12 ARG B 43 29.843 15.182 44.277 1.00 0.00 H ATOM 1583 HH11 ARG B 43 29.745 13.593 43.435 1.00 0.00 H ATOM 1584 HH22 ARG B 43 28.034 15.776 45.721 1.00 0.00 H ATOM 1585 HH21 ARG B 43 26.667 14.621 45.922 1.00 0.00 H ATOM 1586 H ARG B 43 27.063 8.903 40.214 1.00 0.00 H ATOM 1587 N ILE B 44 24.746 8.531 42.553 1.00 14.44 N ATOM 1588 CA ILE B 44 23.525 8.116 43.242 1.00 14.63 C ATOM 1589 C ILE B 44 23.701 6.746 43.887 1.00 16.35 C ATOM 1590 O ILE B 44 23.198 6.545 44.991 1.00 19.28 O ATOM 1591 CB ILE B 44 22.297 8.123 42.280 1.00 15.70 C ATOM 1592 CG1 ILE B 44 21.953 9.582 41.940 1.00 16.08 C ATOM 1593 CG2 ILE B 44 21.100 7.451 42.941 1.00 16.89 C ATOM 1594 CD1 ILE B 44 21.078 9.688 40.739 1.00 19.48 C ATOM 1595 HA ILE B 44 23.331 8.841 44.032 1.00 0.00 H ATOM 1596 HB ILE B 44 22.540 7.571 41.372 1.00 0.00 H ATOM 1597 HG12 ILE B 44 21.438 10.029 42.790 1.00 0.00 H ATOM 1598 HG13 ILE B 44 22.878 10.126 41.750 1.00 0.00 H ATOM 1599 HD11 ILE B 44 21.587 9.250 39.880 1.00 0.00 H ATOM 1600 HD12 ILE B 44 20.146 9.153 40.922 1.00 0.00 H ATOM 1601 HD13 ILE B 44 20.863 10.738 40.539 1.00 0.00 H ATOM 1602 HG21 ILE B 44 21.354 6.420 43.186 1.00 0.00 H ATOM 1603 HG22 ILE B 44 20.840 7.989 43.853 1.00 0.00 H ATOM 1604 HG23 ILE B 44 20.253 7.465 42.255 1.00 0.00 H ATOM 1605 H ILE B 44 24.730 8.611 41.516 1.00 0.00 H ATOM 1606 N LEU B 45 24.433 5.830 43.258 1.00 15.72 N ATOM 1607 CA LEU B 45 24.589 4.497 43.883 1.00 15.80 C ATOM 1608 C LEU B 45 25.736 4.453 44.867 1.00 18.22 C ATOM 1609 O LEU B 45 25.748 3.479 45.658 1.00 19.14 O ATOM 1610 CB LEU B 45 24.791 3.448 42.801 1.00 15.66 C ATOM 1611 CG LEU B 45 23.614 3.187 41.878 1.00 15.35 C ATOM 1612 CD1 LEU B 45 24.050 2.198 40.823 1.00 17.27 C ATOM 1613 CD2 LEU B 45 22.442 2.610 42.701 1.00 18.49 C ATOM 1614 HA LEU B 45 23.678 4.287 44.443 1.00 0.00 H ATOM 1615 OXT LEU B 45 26.617 5.372 44.884 1.00 20.39 O ATOM 1616 HB2 LEU B 45 25.631 3.767 42.184 1.00 0.00 H ATOM 1617 HB3 LEU B 45 25.040 2.508 43.294 1.00 0.00 H ATOM 1618 HG LEU B 45 23.285 4.110 41.401 1.00 0.00 H ATOM 1619 HD21 LEU B 45 22.754 1.677 43.170 1.00 0.00 H ATOM 1620 HD22 LEU B 45 22.153 3.326 43.470 1.00 0.00 H ATOM 1621 HD23 LEU B 45 21.595 2.421 42.042 1.00 0.00 H ATOM 1622 HD11 LEU B 45 24.884 2.615 40.258 1.00 0.00 H ATOM 1623 HD12 LEU B 45 24.362 1.271 41.303 1.00 0.00 H ATOM 1624 HD13 LEU B 45 23.217 1.997 40.149 1.00 0.00 H ATOM 1625 H LEU B 45 24.886 6.046 42.347 1.00 0.00 H TER 1626 LEU B 45 HETATM 1627 CA ACE C 0 14.266 9.083 -22.925 1.00 54.89 C HETATM 1628 C ACE C 0 15.326 8.537 -22.017 1.00 54.85 C HETATM 1629 O ACE C 0 16.491 8.924 -22.124 1.00 54.90 O HETATM 1630 H3 ACE C 0 13.308 8.624 -22.680 1.00 0.00 H HETATM 1631 H2 ACE C 0 14.524 8.857 -23.960 1.00 0.00 H HETATM 1632 H1 ACE C 0 14.198 10.163 -22.793 1.00 0.00 H ATOM 1633 N ARG C 1 14.939 7.633 -21.117 1.00 54.75 N ATOM 1634 CA ARG C 1 15.866 7.022 -20.165 1.00 54.58 C ATOM 1635 C ARG C 1 16.274 8.014 -19.074 1.00 54.54 C ATOM 1636 O ARG C 1 16.248 7.694 -17.884 1.00 54.51 O ATOM 1637 CB ARG C 1 17.120 6.517 -20.887 1.00 54.54 C ATOM 1638 CG ARG C 1 18.070 5.719 -20.010 1.00 54.10 C ATOM 1639 CD ARG C 1 19.284 5.231 -20.800 1.00 54.18 C ATOM 1640 NE ARG C 1 20.035 4.197 -20.086 1.00 54.02 N ATOM 1641 CZ ARG C 1 19.599 2.956 -19.870 1.00 54.03 C ATOM 1642 NH1 ARG C 1 18.408 2.575 -20.312 1.00 53.79 N ATOM 1643 NH2 ARG C 1 20.358 2.087 -19.206 1.00 53.77 N ATOM 1644 HA ARG C 1 15.352 6.182 -19.699 1.00 0.00 H ATOM 1645 HB2 ARG C 1 16.805 5.882 -21.715 1.00 0.00 H ATOM 1646 HB3 ARG C 1 17.660 7.380 -21.278 1.00 0.00 H ATOM 1647 HG2 ARG C 1 18.411 6.351 -19.190 1.00 0.00 H ATOM 1648 HG3 ARG C 1 17.540 4.857 -19.606 1.00 0.00 H ATOM 1649 HD2 ARG C 1 19.944 6.078 -20.986 1.00 0.00 H ATOM 1650 HD3 ARG C 1 18.942 4.822 -21.751 1.00 0.00 H ATOM 1651 HE ARG C 1 20.976 4.449 -19.721 1.00 0.00 H ATOM 1652 HH12 ARG C 1 18.075 1.605 -20.139 1.00 0.00 H ATOM 1653 HH11 ARG C 1 17.807 3.246 -20.831 1.00 0.00 H ATOM 1654 HH22 ARG C 1 20.016 1.119 -19.039 1.00 0.00 H ATOM 1655 HH21 ARG C 1 21.293 2.376 -18.855 1.00 0.00 H ATOM 1656 H ARG C 1 13.938 7.351 -21.091 1.00 0.00 H ATOM 1657 N MET C 2 16.650 9.221 -19.480 1.00 54.42 N ATOM 1658 CA MET C 2 17.067 10.220 -18.515 1.00 54.44 C ATOM 1659 C MET C 2 15.876 10.778 -17.755 1.00 54.51 C ATOM 1660 O MET C 2 16.022 11.253 -16.629 1.00 54.42 O ATOM 1661 CB MET C 2 17.861 11.344 -19.202 1.00 54.68 C ATOM 1662 CG MET C 2 17.106 12.156 -20.238 1.00 54.76 C ATOM 1663 SD MET C 2 18.255 13.114 -21.275 1.00 55.63 S ATOM 1664 CE MET C 2 18.184 12.180 -22.822 1.00 55.29 C ATOM 1665 HA MET C 2 17.724 9.736 -17.792 1.00 0.00 H ATOM 1666 HB2 MET C 2 18.207 12.029 -18.428 1.00 0.00 H ATOM 1667 HB3 MET C 2 18.721 10.891 -19.695 1.00 0.00 H ATOM 1668 HG2 MET C 2 16.427 12.841 -19.730 1.00 0.00 H ATOM 1669 HG3 MET C 2 16.531 11.481 -20.872 1.00 0.00 H ATOM 1670 HE1 MET C 2 18.511 11.156 -22.642 1.00 0.00 H ATOM 1671 HE2 MET C 2 17.160 12.176 -23.196 1.00 0.00 H ATOM 1672 HE3 MET C 2 18.839 12.647 -23.557 1.00 0.00 H ATOM 1673 H MET C 2 16.645 9.451 -20.494 1.00 0.00 H ATOM 1674 N LYS C 3 14.695 10.708 -18.362 1.00 54.34 N ATOM 1675 CA LYS C 3 13.490 11.202 -17.702 1.00 54.29 C ATOM 1676 C LYS C 3 13.360 10.452 -16.384 1.00 54.33 C ATOM 1677 O LYS C 3 12.996 11.030 -15.353 1.00 54.60 O ATOM 1678 CB LYS C 3 12.259 10.955 -18.581 1.00 54.05 C ATOM 1679 CG LYS C 3 10.930 11.359 -17.956 1.00 54.04 C ATOM 1680 CD LYS C 3 10.388 10.286 -17.018 1.00 54.12 C ATOM 1681 CE LYS C 3 8.999 10.648 -16.513 1.00 54.37 C ATOM 1682 NZ LYS C 3 8.408 9.576 -15.656 1.00 53.92 N ATOM 1683 HA LYS C 3 13.558 12.276 -17.529 1.00 0.00 H ATOM 1684 HB2 LYS C 3 12.384 11.520 -19.505 1.00 0.00 H ATOM 1685 HB3 LYS C 3 12.215 9.890 -18.811 1.00 0.00 H ATOM 1686 HG2 LYS C 3 11.072 12.281 -17.392 1.00 0.00 H ATOM 1687 HG3 LYS C 3 10.205 11.530 -18.751 1.00 0.00 H ATOM 1688 HD2 LYS C 3 10.336 9.338 -17.554 1.00 0.00 H ATOM 1689 HD3 LYS C 3 11.061 10.184 -16.167 1.00 0.00 H ATOM 1690 HE2 LYS C 3 8.346 10.811 -17.370 1.00 0.00 H ATOM 1691 HE3 LYS C 3 9.067 11.566 -15.929 1.00 0.00 H ATOM 1692 HZ1 LYS C 3 8.332 8.697 -16.206 1.00 0.00 H ATOM 1693 HZ2 LYS C 3 9.020 9.417 -14.830 1.00 0.00 H ATOM 1694 HZ3 LYS C 3 7.463 9.870 -15.337 1.00 0.00 H ATOM 1695 H LYS C 3 14.629 10.298 -19.315 1.00 0.00 H ATOM 1696 N GLN C 4 13.665 9.159 -16.426 1.00 53.94 N ATOM 1697 CA GLN C 4 13.613 8.327 -15.236 1.00 53.69 C ATOM 1698 C GLN C 4 14.586 8.900 -14.212 1.00 53.19 C ATOM 1699 O GLN C 4 14.316 8.890 -13.008 1.00 53.10 O ATOM 1700 CB GLN C 4 14.026 6.895 -15.580 1.00 54.21 C ATOM 1701 CG GLN C 4 13.756 5.878 -14.477 1.00 55.15 C ATOM 1702 CD GLN C 4 15.011 5.430 -13.732 1.00 55.56 C ATOM 1703 OE1 GLN C 4 15.981 4.973 -14.343 1.00 56.19 O ATOM 1704 NE2 GLN C 4 14.989 5.544 -12.403 1.00 55.66 N ATOM 1705 HA GLN C 4 12.599 8.314 -14.836 1.00 0.00 H ATOM 1706 HB2 GLN C 4 13.477 6.586 -16.470 1.00 0.00 H ATOM 1707 HB3 GLN C 4 15.095 6.890 -15.794 1.00 0.00 H ATOM 1708 HG2 GLN C 4 13.070 6.325 -13.758 1.00 0.00 H ATOM 1709 HG3 GLN C 4 13.290 5.000 -14.925 1.00 0.00 H ATOM 1710 HE22 GLN C 4 14.150 5.935 -11.928 1.00 0.00 H ATOM 1711 HE21 GLN C 4 15.811 5.242 -11.842 1.00 0.00 H ATOM 1712 H GLN C 4 13.947 8.733 -17.332 1.00 0.00 H ATOM 1713 N ILE C 5 15.722 9.395 -14.705 1.00 52.58 N ATOM 1714 CA ILE C 5 16.753 9.971 -13.853 1.00 51.70 C ATOM 1715 C ILE C 5 16.222 11.163 -13.060 1.00 51.26 C ATOM 1716 O ILE C 5 16.624 11.393 -11.920 1.00 51.09 O ATOM 1717 CB ILE C 5 17.991 10.401 -14.687 1.00 51.71 C ATOM 1718 CG1 ILE C 5 18.696 9.161 -15.246 1.00 51.48 C ATOM 1719 CG2 ILE C 5 18.956 11.210 -13.831 1.00 51.41 C ATOM 1720 CD1 ILE C 5 19.977 9.462 -16.017 1.00 51.33 C ATOM 1721 HA ILE C 5 17.056 9.197 -13.148 1.00 0.00 H ATOM 1722 HB ILE C 5 17.656 11.026 -15.515 1.00 0.00 H ATOM 1723 HG12 ILE C 5 18.945 8.505 -14.412 1.00 0.00 H ATOM 1724 HG13 ILE C 5 18.006 8.649 -15.916 1.00 0.00 H ATOM 1725 HD11 ILE C 5 19.746 10.108 -16.864 1.00 0.00 H ATOM 1726 HD12 ILE C 5 20.686 9.964 -15.359 1.00 0.00 H ATOM 1727 HD13 ILE C 5 20.411 8.529 -16.377 1.00 0.00 H ATOM 1728 HG21 ILE C 5 18.451 12.102 -13.460 1.00 0.00 H ATOM 1729 HG22 ILE C 5 19.289 10.603 -12.989 1.00 0.00 H ATOM 1730 HG23 ILE C 5 19.817 11.502 -14.433 1.00 0.00 H ATOM 1731 H ILE C 5 15.877 9.369 -15.733 1.00 0.00 H ATOM 1732 N GLU C 6 15.305 11.908 -13.662 1.00 50.54 N ATOM 1733 CA GLU C 6 14.723 13.073 -13.013 1.00 50.01 C ATOM 1734 C GLU C 6 13.772 12.642 -11.904 1.00 49.32 C ATOM 1735 O GLU C 6 13.689 13.290 -10.859 1.00 49.24 O ATOM 1736 CB GLU C 6 13.978 13.915 -14.043 1.00 50.43 C ATOM 1737 CG GLU C 6 14.799 14.190 -15.289 1.00 51.26 C ATOM 1738 CD GLU C 6 13.965 14.782 -16.400 1.00 51.68 C ATOM 1739 OE1 GLU C 6 12.811 14.327 -16.557 1.00 52.29 O ATOM 1740 OE2 GLU C 6 14.460 15.681 -17.116 1.00 52.25 O ATOM 1741 HA GLU C 6 15.522 13.669 -12.572 1.00 0.00 H ATOM 1742 HB2 GLU C 6 13.071 13.386 -14.334 1.00 0.00 H ATOM 1743 HB3 GLU C 6 13.710 14.868 -13.586 1.00 0.00 H ATOM 1744 HG2 GLU C 6 15.597 14.889 -15.037 1.00 0.00 H ATOM 1745 HG3 GLU C 6 15.235 13.253 -15.637 1.00 0.00 H ATOM 1746 H GLU C 6 14.994 11.653 -14.621 1.00 0.00 H ATOM 1747 N ASP C 7 13.050 11.549 -12.128 1.00 48.32 N ATOM 1748 CA ASP C 7 12.130 11.069 -11.113 1.00 47.23 C ATOM 1749 C ASP C 7 12.869 10.450 -9.926 1.00 46.09 C ATOM 1750 O ASP C 7 12.520 10.723 -8.773 1.00 45.71 O ATOM 1751 CB ASP C 7 11.149 10.059 -11.703 1.00 47.92 C ATOM 1752 CG ASP C 7 10.294 10.660 -12.788 1.00 48.33 C ATOM 1753 OD1 ASP C 7 10.025 11.882 -12.729 1.00 48.43 O ATOM 1754 OD2 ASP C 7 9.882 9.905 -13.690 1.00 48.94 O ATOM 1755 HA ASP C 7 11.573 11.933 -10.750 1.00 0.00 H ATOM 1756 HB2 ASP C 7 11.713 9.225 -12.122 1.00 0.00 H ATOM 1757 HB3 ASP C 7 10.500 9.694 -10.907 1.00 0.00 H ATOM 1758 H ASP C 7 13.144 11.038 -13.029 1.00 0.00 H ATOM 1759 N LYS C 8 13.882 9.627 -10.201 1.00 44.57 N ATOM 1760 CA LYS C 8 14.660 9.002 -9.129 1.00 43.01 C ATOM 1761 C LYS C 8 15.284 10.131 -8.318 1.00 41.20 C ATOM 1762 O LYS C 8 15.433 10.039 -7.098 1.00 40.61 O ATOM 1763 CB LYS C 8 15.747 8.079 -9.708 1.00 43.49 C ATOM 1764 CG LYS C 8 16.693 8.761 -10.695 1.00 44.78 C ATOM 1765 CD LYS C 8 17.337 7.779 -11.702 1.00 45.38 C ATOM 1766 CE LYS C 8 18.382 6.859 -11.068 1.00 45.64 C ATOM 1767 NZ LYS C 8 19.029 5.960 -12.069 1.00 45.55 N ATOM 1768 HA LYS C 8 14.022 8.382 -8.500 1.00 0.00 H ATOM 1769 HB2 LYS C 8 16.340 7.689 -8.881 1.00 0.00 H ATOM 1770 HB3 LYS C 8 15.255 7.253 -10.222 1.00 0.00 H ATOM 1771 HG2 LYS C 8 16.131 9.510 -11.253 1.00 0.00 H ATOM 1772 HG3 LYS C 8 17.488 9.250 -10.132 1.00 0.00 H ATOM 1773 HD2 LYS C 8 16.550 7.162 -12.135 1.00 0.00 H ATOM 1774 HD3 LYS C 8 17.818 8.358 -12.490 1.00 0.00 H ATOM 1775 HE2 LYS C 8 17.895 6.246 -10.309 1.00 0.00 H ATOM 1776 HE3 LYS C 8 19.151 7.473 -10.599 1.00 0.00 H ATOM 1777 HZ1 LYS C 8 18.304 5.364 -12.517 1.00 0.00 H ATOM 1778 HZ2 LYS C 8 19.503 6.535 -12.794 1.00 0.00 H ATOM 1779 HZ3 LYS C 8 19.728 5.357 -11.591 1.00 0.00 H ATOM 1780 H LYS C 8 14.123 9.426 -11.192 1.00 0.00 H ATOM 1781 N ILE C 9 15.635 11.211 -9.002 1.00 39.40 N ATOM 1782 CA ILE C 9 16.213 12.364 -8.333 1.00 37.29 C ATOM 1783 C ILE C 9 15.200 13.051 -7.418 1.00 36.07 C ATOM 1784 O ILE C 9 15.540 13.405 -6.292 1.00 34.70 O ATOM 1785 CB ILE C 9 16.785 13.354 -9.358 1.00 37.14 C ATOM 1786 CG1 ILE C 9 18.156 12.841 -9.812 1.00 36.95 C ATOM 1787 CG2 ILE C 9 16.894 14.759 -8.759 1.00 37.06 C ATOM 1788 CD1 ILE C 9 18.689 13.491 -11.066 1.00 36.89 C ATOM 1789 HA ILE C 9 17.029 12.007 -7.705 1.00 0.00 H ATOM 1790 HB ILE C 9 16.117 13.424 -10.217 1.00 0.00 H ATOM 1791 HG12 ILE C 9 18.869 13.019 -9.007 1.00 0.00 H ATOM 1792 HG13 ILE C 9 18.075 11.769 -9.993 1.00 0.00 H ATOM 1793 HD11 ILE C 9 17.997 13.312 -11.889 1.00 0.00 H ATOM 1794 HD12 ILE C 9 18.792 14.564 -10.902 1.00 0.00 H ATOM 1795 HD13 ILE C 9 19.662 13.065 -11.309 1.00 0.00 H ATOM 1796 HG21 ILE C 9 15.905 15.101 -8.455 1.00 0.00 H ATOM 1797 HG22 ILE C 9 17.553 14.732 -7.891 1.00 0.00 H ATOM 1798 HG23 ILE C 9 17.302 15.440 -9.506 1.00 0.00 H ATOM 1799 H ILE C 9 15.495 11.233 -10.032 1.00 0.00 H ATOM 1800 N GLU C 10 13.964 13.230 -7.887 1.00 34.23 N ATOM 1801 CA GLU C 10 12.927 13.871 -7.074 1.00 33.04 C ATOM 1802 C GLU C 10 12.738 12.951 -5.878 1.00 32.53 C ATOM 1803 O GLU C 10 12.434 13.398 -4.779 1.00 32.14 O ATOM 1804 CB GLU C 10 11.582 14.034 -7.847 1.00 32.87 C ATOM 1805 CG GLU C 10 10.446 14.683 -6.991 1.00 33.10 C ATOM 1806 CD GLU C 10 9.132 14.983 -7.747 1.00 33.56 C ATOM 1807 OE1 GLU C 10 9.134 14.936 -8.999 1.00 34.07 O ATOM 1808 OE2 GLU C 10 8.098 15.286 -7.084 1.00 32.41 O ATOM 1809 HA GLU C 10 13.227 14.880 -6.790 1.00 0.00 H ATOM 1810 HB2 GLU C 10 11.759 14.663 -8.720 1.00 0.00 H ATOM 1811 HB3 GLU C 10 11.249 13.048 -8.172 1.00 0.00 H ATOM 1812 HG2 GLU C 10 10.214 14.004 -6.170 1.00 0.00 H ATOM 1813 HG3 GLU C 10 10.824 15.623 -6.588 1.00 0.00 H ATOM 1814 H GLU C 10 13.732 12.908 -8.848 1.00 0.00 H ATOM 1815 N GLU C 11 12.944 11.660 -6.100 1.00 31.82 N ATOM 1816 CA GLU C 11 12.795 10.700 -5.018 1.00 31.36 C ATOM 1817 C GLU C 11 13.921 10.869 -3.998 1.00 30.15 C ATOM 1818 O GLU C 11 13.659 10.904 -2.798 1.00 28.89 O ATOM 1819 CB GLU C 11 12.791 9.266 -5.536 1.00 33.18 C ATOM 1820 CG GLU C 11 12.653 8.250 -4.423 1.00 35.22 C ATOM 1821 CD GLU C 11 11.249 8.198 -3.822 1.00 36.93 C ATOM 1822 OE1 GLU C 11 10.637 9.264 -3.575 1.00 38.03 O ATOM 1823 OE2 GLU C 11 10.754 7.078 -3.579 1.00 38.85 O ATOM 1824 HA GLU C 11 11.835 10.895 -4.540 1.00 0.00 H ATOM 1825 HB2 GLU C 11 11.956 9.145 -6.226 1.00 0.00 H ATOM 1826 HB3 GLU C 11 13.727 9.082 -6.064 1.00 0.00 H ATOM 1827 HG2 GLU C 11 12.896 7.265 -4.821 1.00 0.00 H ATOM 1828 HG3 GLU C 11 13.359 8.505 -3.632 1.00 0.00 H ATOM 1829 H GLU C 11 13.213 11.333 -7.050 1.00 0.00 H ATOM 1830 N ILE C 12 15.162 10.982 -4.471 1.00 29.09 N ATOM 1831 CA ILE C 12 16.296 11.159 -3.550 1.00 28.34 C ATOM 1832 C ILE C 12 16.112 12.457 -2.761 1.00 27.83 C ATOM 1833 O ILE C 12 16.397 12.504 -1.560 1.00 26.46 O ATOM 1834 CB ILE C 12 17.643 11.208 -4.325 1.00 28.74 C ATOM 1835 CG1 ILE C 12 18.055 9.786 -4.701 1.00 28.84 C ATOM 1836 CG2 ILE C 12 18.715 11.854 -3.501 1.00 28.70 C ATOM 1837 CD1 ILE C 12 19.002 9.706 -5.890 1.00 29.69 C ATOM 1838 HA ILE C 12 16.323 10.309 -2.869 1.00 0.00 H ATOM 1839 HB ILE C 12 17.509 11.805 -5.227 1.00 0.00 H ATOM 1840 HG12 ILE C 12 18.547 9.333 -3.840 1.00 0.00 H ATOM 1841 HG13 ILE C 12 17.155 9.221 -4.942 1.00 0.00 H ATOM 1842 HD11 ILE C 12 18.522 10.143 -6.765 1.00 0.00 H ATOM 1843 HD12 ILE C 12 19.916 10.255 -5.663 1.00 0.00 H ATOM 1844 HD13 ILE C 12 19.244 8.662 -6.090 1.00 0.00 H ATOM 1845 HG21 ILE C 12 18.417 12.873 -3.253 1.00 0.00 H ATOM 1846 HG22 ILE C 12 18.860 11.283 -2.584 1.00 0.00 H ATOM 1847 HG23 ILE C 12 19.645 11.874 -4.069 1.00 0.00 H ATOM 1848 H ILE C 12 15.330 10.945 -5.497 1.00 0.00 H ATOM 1849 N GLU C 13 15.639 13.507 -3.423 1.00 27.40 N ATOM 1850 CA GLU C 13 15.424 14.785 -2.762 1.00 26.92 C ATOM 1851 C GLU C 13 14.352 14.639 -1.678 1.00 26.36 C ATOM 1852 O GLU C 13 14.463 15.226 -0.597 1.00 25.75 O ATOM 1853 CB GLU C 13 15.030 15.860 -3.805 1.00 28.34 C ATOM 1854 CG GLU C 13 16.176 16.144 -4.810 1.00 29.72 C ATOM 1855 CD GLU C 13 15.807 17.142 -5.900 1.00 31.77 C ATOM 1856 OE1 GLU C 13 14.636 17.136 -6.331 1.00 33.64 O ATOM 1857 OE2 GLU C 13 16.693 17.924 -6.327 1.00 32.24 O ATOM 1858 HA GLU C 13 16.348 15.105 -2.281 1.00 0.00 H ATOM 1859 HB2 GLU C 13 14.157 15.512 -4.356 1.00 0.00 H ATOM 1860 HB3 GLU C 13 14.783 16.784 -3.282 1.00 0.00 H ATOM 1861 HG2 GLU C 13 17.028 16.539 -4.257 1.00 0.00 H ATOM 1862 HG3 GLU C 13 16.457 15.204 -5.285 1.00 0.00 H ATOM 1863 H GLU C 13 15.418 13.414 -4.435 1.00 0.00 H ATOM 1864 N SER C 14 13.334 13.837 -1.950 1.00 26.17 N ATOM 1865 CA SER C 14 12.249 13.632 -0.999 1.00 26.31 C ATOM 1866 C SER C 14 12.798 12.914 0.221 1.00 25.81 C ATOM 1867 O SER C 14 12.468 13.297 1.339 1.00 25.13 O ATOM 1868 CB SER C 14 11.115 12.803 -1.625 1.00 26.71 C ATOM 1869 OG SER C 14 10.077 12.513 -0.695 1.00 30.07 O ATOM 1870 HA SER C 14 11.839 14.601 -0.714 1.00 0.00 H ATOM 1871 HB2 SER C 14 11.529 11.864 -1.992 1.00 0.00 H ATOM 1872 HB3 SER C 14 10.692 13.362 -2.459 1.00 0.00 H ATOM 1873 HG SER C 14 10.450 11.998 0.064 1.00 0.00 H ATOM 1874 H SER C 14 13.308 13.342 -2.864 1.00 0.00 H ATOM 1875 N LYS C 15 13.596 11.868 0.009 1.00 24.70 N ATOM 1876 CA LYS C 15 14.183 11.139 1.151 1.00 25.41 C ATOM 1877 C LYS C 15 15.153 12.042 1.938 1.00 24.45 C ATOM 1878 O LYS C 15 15.287 11.920 3.171 1.00 24.50 O ATOM 1879 CB LYS C 15 14.915 9.892 0.672 1.00 26.20 C ATOM 1880 CG LYS C 15 14.009 8.740 0.285 1.00 29.07 C ATOM 1881 CD LYS C 15 14.838 7.546 -0.220 1.00 30.97 C ATOM 1882 CE LYS C 15 13.970 6.369 -0.603 1.00 32.08 C ATOM 1883 NZ LYS C 15 12.852 6.762 -1.502 1.00 34.63 N ATOM 1884 HA LYS C 15 13.369 10.841 1.811 1.00 0.00 H ATOM 1885 HB2 LYS C 15 15.514 10.162 -0.198 1.00 0.00 H ATOM 1886 HB3 LYS C 15 15.572 9.554 1.473 1.00 0.00 H ATOM 1887 HG2 LYS C 15 13.429 8.432 1.155 1.00 0.00 H ATOM 1888 HG3 LYS C 15 13.332 9.066 -0.504 1.00 0.00 H ATOM 1889 HD2 LYS C 15 15.410 7.860 -1.093 1.00 0.00 H ATOM 1890 HD3 LYS C 15 15.523 7.235 0.569 1.00 0.00 H ATOM 1891 HE2 LYS C 15 13.554 5.930 0.304 1.00 0.00 H ATOM 1892 HE3 LYS C 15 14.587 5.629 -1.113 1.00 0.00 H ATOM 1893 HZ1 LYS C 15 12.252 7.463 -1.021 1.00 0.00 H ATOM 1894 HZ2 LYS C 15 13.239 7.175 -2.374 1.00 0.00 H ATOM 1895 HZ3 LYS C 15 12.286 5.922 -1.737 1.00 0.00 H ATOM 1896 H LYS C 15 13.806 11.564 -0.963 1.00 0.00 H ATOM 1897 N GLN C 16 15.843 12.932 1.247 1.00 24.12 N ATOM 1898 CA GLN C 16 16.759 13.856 1.904 1.00 23.82 C ATOM 1899 C GLN C 16 15.984 14.792 2.838 1.00 23.67 C ATOM 1900 O GLN C 16 16.408 15.058 3.979 1.00 22.84 O ATOM 1901 CB GLN C 16 17.485 14.654 0.834 1.00 25.71 C ATOM 1902 CG GLN C 16 18.785 15.251 1.232 1.00 29.64 C ATOM 1903 CD GLN C 16 19.636 15.551 0.004 1.00 32.26 C ATOM 1904 OE1 GLN C 16 19.267 16.375 -0.817 1.00 34.89 O ATOM 1905 NE2 GLN C 16 20.772 14.866 -0.135 1.00 32.74 N ATOM 1906 HA GLN C 16 17.482 13.303 2.505 1.00 0.00 H ATOM 1907 HB2 GLN C 16 17.668 13.989 -0.010 1.00 0.00 H ATOM 1908 HB3 GLN C 16 16.828 15.465 0.520 1.00 0.00 H ATOM 1909 HG2 GLN C 16 18.602 16.177 1.777 1.00 0.00 H ATOM 1910 HG3 GLN C 16 19.319 14.552 1.876 1.00 0.00 H ATOM 1911 HE22 GLN C 16 21.052 14.172 0.587 1.00 0.00 H ATOM 1912 HE21 GLN C 16 21.377 15.026 -0.965 1.00 0.00 H ATOM 1913 H GLN C 16 15.730 12.974 0.214 1.00 0.00 H ATOM 1914 N LYS C 17 14.850 15.293 2.365 1.00 22.83 N ATOM 1915 CA LYS C 17 14.029 16.185 3.179 1.00 22.59 C ATOM 1916 C LYS C 17 13.533 15.409 4.406 1.00 22.31 C ATOM 1917 O LYS C 17 13.529 15.939 5.515 1.00 21.02 O ATOM 1918 CB LYS C 17 12.832 16.713 2.357 1.00 22.86 C ATOM 1919 CG LYS C 17 12.077 17.840 3.055 1.00 26.69 C ATOM 1920 CD LYS C 17 12.864 19.122 2.932 1.00 29.27 C ATOM 1921 CE LYS C 17 12.551 20.065 4.051 1.00 31.75 C ATOM 1922 NZ LYS C 17 13.325 21.340 3.940 1.00 34.25 N ATOM 1923 HA LYS C 17 14.622 17.042 3.499 1.00 0.00 H ATOM 1924 HB2 LYS C 17 13.203 17.084 1.402 1.00 0.00 H ATOM 1925 HB3 LYS C 17 12.141 15.889 2.182 1.00 0.00 H ATOM 1926 HG2 LYS C 17 11.100 17.967 2.589 1.00 0.00 H ATOM 1927 HG3 LYS C 17 11.946 17.593 4.109 1.00 0.00 H ATOM 1928 HD2 LYS C 17 13.928 18.888 2.952 1.00 0.00 H ATOM 1929 HD3 LYS C 17 12.616 19.601 1.985 1.00 0.00 H ATOM 1930 HE2 LYS C 17 12.798 19.584 4.997 1.00 0.00 H ATOM 1931 HE3 LYS C 17 11.486 20.296 4.030 1.00 0.00 H ATOM 1932 HZ1 LYS C 17 14.343 21.129 3.966 1.00 0.00 H ATOM 1933 HZ2 LYS C 17 13.090 21.810 3.042 1.00 0.00 H ATOM 1934 HZ3 LYS C 17 13.078 21.964 4.734 1.00 0.00 H ATOM 1935 H LYS C 17 14.542 15.047 1.402 1.00 0.00 H ATOM 1936 N LYS C 18 13.143 14.152 4.223 1.00 21.81 N ATOM 1937 CA LYS C 18 12.686 13.368 5.374 1.00 21.74 C ATOM 1938 C LYS C 18 13.820 13.185 6.378 1.00 20.62 C ATOM 1939 O LYS C 18 13.582 13.248 7.577 1.00 19.85 O ATOM 1940 CB LYS C 18 12.172 12.003 4.964 1.00 24.04 C ATOM 1941 CG LYS C 18 10.776 12.023 4.401 1.00 27.30 C ATOM 1942 CD LYS C 18 10.439 10.656 3.863 1.00 29.23 C ATOM 1943 CE LYS C 18 9.173 10.704 3.025 1.00 30.50 C ATOM 1944 NZ LYS C 18 8.876 9.354 2.472 1.00 33.57 N ATOM 1945 HA LYS C 18 11.867 13.924 5.829 1.00 0.00 H ATOM 1946 HB2 LYS C 18 12.842 11.596 4.207 1.00 0.00 H ATOM 1947 HB3 LYS C 18 12.180 11.355 5.840 1.00 0.00 H ATOM 1948 HG2 LYS C 18 10.069 12.290 5.187 1.00 0.00 H ATOM 1949 HG3 LYS C 18 10.717 12.756 3.597 1.00 0.00 H ATOM 1950 HD2 LYS C 18 11.264 10.301 3.245 1.00 0.00 H ATOM 1951 HD3 LYS C 18 10.290 9.970 4.697 1.00 0.00 H ATOM 1952 HE2 LYS C 18 9.310 11.408 2.204 1.00 0.00 H ATOM 1953 HE3 LYS C 18 8.340 11.031 3.648 1.00 0.00 H ATOM 1954 HZ1 LYS C 18 9.669 9.043 1.876 1.00 0.00 H ATOM 1955 HZ2 LYS C 18 8.744 8.682 3.254 1.00 0.00 H ATOM 1956 HZ3 LYS C 18 8.008 9.398 1.901 1.00 0.00 H ATOM 1957 H LYS C 18 13.162 13.729 3.273 1.00 0.00 H ATOM 1958 N ILE C 19 15.040 12.987 5.887 1.00 19.99 N ATOM 1959 CA ILE C 19 16.200 12.787 6.762 1.00 19.98 C ATOM 1960 C ILE C 19 16.468 14.082 7.517 1.00 20.44 C ATOM 1961 O ILE C 19 16.727 14.068 8.735 1.00 20.23 O ATOM 1962 CB ILE C 19 17.442 12.358 5.914 1.00 20.09 C ATOM 1963 CG1 ILE C 19 17.263 10.902 5.464 1.00 21.49 C ATOM 1964 CG2 ILE C 19 18.749 12.587 6.682 1.00 20.80 C ATOM 1965 CD1 ILE C 19 18.169 10.479 4.296 1.00 21.18 C ATOM 1966 HA ILE C 19 16.000 11.992 7.480 1.00 0.00 H ATOM 1967 HB ILE C 19 17.511 12.982 5.023 1.00 0.00 H ATOM 1968 HG12 ILE C 19 17.478 10.254 6.314 1.00 0.00 H ATOM 1969 HG13 ILE C 19 16.226 10.765 5.157 1.00 0.00 H ATOM 1970 HD11 ILE C 19 17.960 11.107 3.430 1.00 0.00 H ATOM 1971 HD12 ILE C 19 19.213 10.595 4.587 1.00 0.00 H ATOM 1972 HD13 ILE C 19 17.974 9.436 4.046 1.00 0.00 H ATOM 1973 HG21 ILE C 19 18.845 13.645 6.926 1.00 0.00 H ATOM 1974 HG22 ILE C 19 18.737 12.000 7.600 1.00 0.00 H ATOM 1975 HG23 ILE C 19 19.591 12.278 6.063 1.00 0.00 H ATOM 1976 H ILE C 19 15.175 12.974 4.856 1.00 0.00 H ATOM 1977 N GLU C 20 16.374 15.223 6.836 1.00 20.24 N ATOM 1978 CA GLU C 20 16.625 16.497 7.503 1.00 20.43 C ATOM 1979 C GLU C 20 15.572 16.754 8.576 1.00 20.88 C ATOM 1980 O GLU C 20 15.896 17.279 9.645 1.00 20.23 O ATOM 1981 CB GLU C 20 16.660 17.639 6.484 1.00 22.94 C ATOM 1982 CG GLU C 20 17.809 17.504 5.499 1.00 25.51 C ATOM 1983 CD GLU C 20 17.741 18.513 4.378 1.00 29.04 C ATOM 1984 OE1 GLU C 20 16.654 19.100 4.177 1.00 30.40 O ATOM 1985 OE2 GLU C 20 18.769 18.708 3.691 1.00 30.73 O ATOM 1986 HA GLU C 20 17.599 16.449 7.989 1.00 0.00 H ATOM 1987 HB2 GLU C 20 15.722 17.642 5.929 1.00 0.00 H ATOM 1988 HB3 GLU C 20 16.767 18.582 7.019 1.00 0.00 H ATOM 1989 HG2 GLU C 20 18.747 17.643 6.037 1.00 0.00 H ATOM 1990 HG3 GLU C 20 17.783 16.503 5.069 1.00 0.00 H ATOM 1991 H GLU C 20 16.121 15.206 5.827 1.00 0.00 H ATOM 1992 N ASN C 21 14.330 16.381 8.321 1.00 20.53 N ATOM 1993 CA ASN C 21 13.286 16.588 9.328 1.00 21.87 C ATOM 1994 C ASN C 21 13.502 15.678 10.527 1.00 21.75 C ATOM 1995 O ASN C 21 13.263 16.084 11.674 1.00 21.80 O ATOM 1996 CB ASN C 21 11.901 16.379 8.720 1.00 24.15 C ATOM 1997 CG ASN C 21 11.477 17.569 7.872 1.00 25.28 C ATOM 1998 OD1 ASN C 21 11.925 18.695 8.099 1.00 28.26 O ATOM 1999 ND2 ASN C 21 10.637 17.327 6.870 1.00 26.78 N ATOM 2000 HA ASN C 21 13.348 17.619 9.677 1.00 0.00 H ATOM 2001 HB2 ASN C 21 11.920 15.487 8.094 1.00 0.00 H ATOM 2002 HB3 ASN C 21 11.178 16.242 9.524 1.00 0.00 H ATOM 2003 HD22 ASN C 21 10.281 16.363 6.711 1.00 0.00 H ATOM 2004 HD21 ASN C 21 10.336 18.102 6.245 1.00 0.00 H ATOM 2005 H ASN C 21 14.094 15.942 7.408 1.00 0.00 H ATOM 2006 N GLU C 22 13.950 14.456 10.274 1.00 20.99 N ATOM 2007 CA GLU C 22 14.216 13.526 11.369 1.00 20.36 C ATOM 2008 C GLU C 22 15.389 14.067 12.187 1.00 19.79 C ATOM 2009 O GLU C 22 15.345 14.051 13.445 1.00 18.87 O ATOM 2010 CB GLU C 22 14.528 12.131 10.825 1.00 22.89 C ATOM 2011 CG GLU C 22 14.666 11.064 11.901 1.00 25.86 C ATOM 2012 CD GLU C 22 13.500 11.043 12.882 1.00 27.97 C ATOM 2013 OE1 GLU C 22 12.321 11.024 12.444 1.00 30.05 O ATOM 2014 OE2 GLU C 22 13.779 11.043 14.118 1.00 31.29 O ATOM 2015 HA GLU C 22 13.335 13.439 12.005 1.00 0.00 H ATOM 2016 HB2 GLU C 22 13.723 11.837 10.152 1.00 0.00 H ATOM 2017 HB3 GLU C 22 15.464 12.181 10.269 1.00 0.00 H ATOM 2018 HG2 GLU C 22 14.728 10.090 11.416 1.00 0.00 H ATOM 2019 HG3 GLU C 22 15.584 11.251 12.458 1.00 0.00 H ATOM 2020 H GLU C 22 14.113 14.158 9.291 1.00 0.00 H ATOM 2021 N ILE C 23 16.433 14.560 11.518 1.00 18.92 N ATOM 2022 CA ILE C 23 17.579 15.108 12.254 1.00 18.60 C ATOM 2023 C ILE C 23 17.124 16.286 13.118 1.00 19.09 C ATOM 2024 O ILE C 23 17.578 16.435 14.260 1.00 18.74 O ATOM 2025 CB ILE C 23 18.673 15.566 11.244 1.00 18.79 C ATOM 2026 CG1 ILE C 23 19.357 14.332 10.701 1.00 20.45 C ATOM 2027 CG2 ILE C 23 19.668 16.539 11.880 1.00 20.11 C ATOM 2028 CD1 ILE C 23 20.238 14.607 9.539 1.00 22.51 C ATOM 2029 HA ILE C 23 17.997 14.340 12.905 1.00 0.00 H ATOM 2030 HB ILE C 23 18.208 16.117 10.426 1.00 0.00 H ATOM 2031 HG12 ILE C 23 19.960 13.894 11.496 1.00 0.00 H ATOM 2032 HG13 ILE C 23 18.591 13.620 10.393 1.00 0.00 H ATOM 2033 HD11 ILE C 23 19.647 15.036 8.730 1.00 0.00 H ATOM 2034 HD12 ILE C 23 21.017 15.310 9.834 1.00 0.00 H ATOM 2035 HD13 ILE C 23 20.695 13.676 9.203 1.00 0.00 H ATOM 2036 HG21 ILE C 23 19.136 17.423 12.231 1.00 0.00 H ATOM 2037 HG22 ILE C 23 20.162 16.053 12.721 1.00 0.00 H ATOM 2038 HG23 ILE C 23 20.412 16.831 11.139 1.00 0.00 H ATOM 2039 H ILE C 23 16.435 14.556 10.478 1.00 0.00 H ATOM 2040 N ALA C 24 16.208 17.115 12.617 1.00 18.44 N ATOM 2041 CA ALA C 24 15.750 18.245 13.420 1.00 18.86 C ATOM 2042 C ALA C 24 15.023 17.748 14.665 1.00 18.66 C ATOM 2043 O ALA C 24 15.178 18.357 15.757 1.00 19.32 O ATOM 2044 CB ALA C 24 14.823 19.160 12.573 1.00 19.39 C ATOM 2045 HA ALA C 24 16.615 18.827 13.737 1.00 0.00 H ATOM 2046 HB1 ALA C 24 15.374 19.533 11.710 1.00 0.00 H ATOM 2047 HB2 ALA C 24 13.960 18.587 12.235 1.00 0.00 H ATOM 2048 HB3 ALA C 24 14.488 19.999 13.182 1.00 0.00 H ATOM 2049 H ALA C 24 15.823 16.958 11.663 1.00 0.00 H ATOM 2050 N ARG C 25 14.267 16.655 14.548 1.00 18.57 N ATOM 2051 CA ARG C 25 13.535 16.109 15.709 1.00 19.19 C ATOM 2052 C ARG C 25 14.546 15.557 16.722 1.00 18.69 C ATOM 2053 O ARG C 25 14.420 15.793 17.940 1.00 17.93 O ATOM 2054 CB ARG C 25 12.534 15.023 15.287 1.00 20.85 C ATOM 2055 CG ARG C 25 11.274 15.609 14.627 1.00 23.87 C ATOM 2056 CD ARG C 25 10.191 14.579 14.429 1.00 25.32 C ATOM 2057 NE ARG C 25 10.522 13.636 13.376 1.00 27.13 N ATOM 2058 CZ ARG C 25 10.327 13.849 12.075 1.00 27.60 C ATOM 2059 NH1 ARG C 25 9.785 14.990 11.641 1.00 28.92 N ATOM 2060 NH2 ARG C 25 10.697 12.915 11.214 1.00 27.79 N ATOM 2061 HA ARG C 25 12.957 16.910 16.169 1.00 0.00 H ATOM 2062 HB2 ARG C 25 13.022 14.354 14.578 1.00 0.00 H ATOM 2063 HB3 ARG C 25 12.236 14.459 16.171 1.00 0.00 H ATOM 2064 HG2 ARG C 25 10.886 16.406 15.261 1.00 0.00 H ATOM 2065 HG3 ARG C 25 11.547 16.020 13.655 1.00 0.00 H ATOM 2066 HD2 ARG C 25 9.264 15.089 14.166 1.00 0.00 H ATOM 2067 HD3 ARG C 25 10.051 14.031 15.361 1.00 0.00 H ATOM 2068 HE ARG C 25 10.942 12.727 13.658 1.00 0.00 H ATOM 2069 HH12 ARG C 25 9.639 15.142 10.623 1.00 0.00 H ATOM 2070 HH11 ARG C 25 9.509 15.726 12.321 1.00 0.00 H ATOM 2071 HH22 ARG C 25 10.554 13.061 10.194 1.00 0.00 H ATOM 2072 HH21 ARG C 25 11.131 12.034 11.557 1.00 0.00 H ATOM 2073 H ARG C 25 14.192 16.180 13.626 1.00 0.00 H ATOM 2074 N ILE C 26 15.546 14.844 16.221 1.00 17.83 N ATOM 2075 CA ILE C 26 16.577 14.268 17.080 1.00 16.94 C ATOM 2076 C ILE C 26 17.299 15.361 17.857 1.00 18.02 C ATOM 2077 O ILE C 26 17.541 15.223 19.055 1.00 17.73 O ATOM 2078 CB ILE C 26 17.573 13.479 16.225 1.00 17.99 C ATOM 2079 CG1 ILE C 26 16.897 12.193 15.796 1.00 19.88 C ATOM 2080 CG2 ILE C 26 18.879 13.217 17.006 1.00 19.34 C ATOM 2081 CD1 ILE C 26 17.645 11.388 14.721 1.00 21.83 C ATOM 2082 HA ILE C 26 16.106 13.596 17.797 1.00 0.00 H ATOM 2083 HB ILE C 26 17.857 14.049 15.341 1.00 0.00 H ATOM 2084 HG12 ILE C 26 16.787 11.560 16.676 1.00 0.00 H ATOM 2085 HG13 ILE C 26 15.911 12.444 15.405 1.00 0.00 H ATOM 2086 HD11 ILE C 26 17.754 11.997 13.823 1.00 0.00 H ATOM 2087 HD12 ILE C 26 18.630 11.111 15.096 1.00 0.00 H ATOM 2088 HD13 ILE C 26 17.079 10.487 14.484 1.00 0.00 H ATOM 2089 HG21 ILE C 26 19.331 14.169 17.285 1.00 0.00 H ATOM 2090 HG22 ILE C 26 18.654 12.643 17.905 1.00 0.00 H ATOM 2091 HG23 ILE C 26 19.570 12.655 16.378 1.00 0.00 H ATOM 2092 H ILE C 26 15.597 14.692 15.193 1.00 0.00 H ATOM 2093 N LYS C 27 17.660 16.451 17.191 1.00 17.60 N ATOM 2094 CA LYS C 27 18.370 17.544 17.853 1.00 17.90 C ATOM 2095 C LYS C 27 17.532 18.172 18.969 1.00 18.17 C ATOM 2096 O LYS C 27 18.063 18.510 20.013 1.00 18.33 O ATOM 2097 CB LYS C 27 18.806 18.586 16.805 1.00 19.01 C ATOM 2098 CG LYS C 27 19.892 18.033 15.876 1.00 22.27 C ATOM 2099 CD LYS C 27 20.191 19.004 14.711 1.00 24.03 C ATOM 2100 CE LYS C 27 20.622 20.390 15.161 1.00 24.41 C ATOM 2101 NZ LYS C 27 21.991 20.393 15.714 1.00 27.04 N ATOM 2102 HA LYS C 27 19.262 17.141 18.333 1.00 0.00 H ATOM 2103 HB2 LYS C 27 17.940 18.870 16.207 1.00 0.00 H ATOM 2104 HB3 LYS C 27 19.195 19.465 17.320 1.00 0.00 H ATOM 2105 HG2 LYS C 27 20.805 17.878 16.451 1.00 0.00 H ATOM 2106 HG3 LYS C 27 19.556 17.081 15.466 1.00 0.00 H ATOM 2107 HD2 LYS C 27 20.989 18.576 14.103 1.00 0.00 H ATOM 2108 HD3 LYS C 27 19.289 19.104 14.107 1.00 0.00 H ATOM 2109 HE2 LYS C 27 19.932 20.741 15.928 1.00 0.00 H ATOM 2110 HE3 LYS C 27 20.587 21.065 14.306 1.00 0.00 H ATOM 2111 HZ1 LYS C 27 22.033 19.757 16.536 1.00 0.00 H ATOM 2112 HZ2 LYS C 27 22.658 20.066 14.986 1.00 0.00 H ATOM 2113 HZ3 LYS C 27 22.243 21.358 16.008 1.00 0.00 H ATOM 2114 H LYS C 27 17.433 16.529 16.179 1.00 0.00 H ATOM 2115 N LYS C 28 16.219 18.300 18.775 1.00 17.00 N ATOM 2116 CA LYS C 28 15.369 18.887 19.790 1.00 17.21 C ATOM 2117 C LYS C 28 15.292 17.973 21.016 1.00 17.36 C ATOM 2118 O LYS C 28 15.351 18.457 22.165 1.00 17.54 O ATOM 2119 CB LYS C 28 13.960 19.174 19.223 1.00 18.92 C ATOM 2120 CG LYS C 28 13.987 20.262 18.164 1.00 24.56 C ATOM 2121 CD LYS C 28 12.632 20.415 17.464 1.00 26.88 C ATOM 2122 CE LYS C 28 12.761 21.360 16.260 1.00 28.84 C ATOM 2123 NZ LYS C 28 11.460 21.726 15.592 1.00 31.36 N ATOM 2124 HA LYS C 28 15.805 19.837 20.100 1.00 0.00 H ATOM 2125 HB2 LYS C 28 13.565 18.260 18.780 1.00 0.00 H ATOM 2126 HB3 LYS C 28 13.310 19.491 20.038 1.00 0.00 H ATOM 2127 HG2 LYS C 28 14.248 21.208 18.638 1.00 0.00 H ATOM 2128 HG3 LYS C 28 14.742 20.010 17.419 1.00 0.00 H ATOM 2129 HD2 LYS C 28 12.291 19.438 17.121 1.00 0.00 H ATOM 2130 HD3 LYS C 28 11.907 20.824 18.168 1.00 0.00 H ATOM 2131 HE2 LYS C 28 13.398 20.878 15.518 1.00 0.00 H ATOM 2132 HE3 LYS C 28 13.236 22.280 16.602 1.00 0.00 H ATOM 2133 HZ1 LYS C 28 10.995 20.863 15.244 1.00 0.00 H ATOM 2134 HZ2 LYS C 28 10.841 22.202 16.279 1.00 0.00 H ATOM 2135 HZ3 LYS C 28 11.649 22.365 14.793 1.00 0.00 H ATOM 2136 H LYS C 28 15.799 17.973 17.881 1.00 0.00 H ATOM 2137 N LEU C 29 15.205 16.665 20.793 1.00 16.84 N ATOM 2138 CA LEU C 29 15.126 15.732 21.912 1.00 16.41 C ATOM 2139 C LEU C 29 16.471 15.670 22.606 1.00 16.92 C ATOM 2140 O LEU C 29 16.533 15.630 23.859 1.00 16.36 O ATOM 2141 CB LEU C 29 14.664 14.341 21.453 1.00 16.26 C ATOM 2142 CG LEU C 29 14.627 13.239 22.515 1.00 16.76 C ATOM 2143 CD1 LEU C 29 13.797 13.705 23.701 1.00 16.47 C ATOM 2144 CD2 LEU C 29 14.060 11.950 21.885 1.00 17.67 C ATOM 2145 HA LEU C 29 14.379 16.090 22.620 1.00 0.00 H ATOM 2146 HB2 LEU C 29 13.657 14.445 21.050 1.00 0.00 H ATOM 2147 HB3 LEU C 29 15.339 14.014 20.662 1.00 0.00 H ATOM 2148 HG LEU C 29 15.632 13.024 22.879 1.00 0.00 H ATOM 2149 HD21 LEU C 29 13.052 12.140 21.517 1.00 0.00 H ATOM 2150 HD22 LEU C 29 14.698 11.641 21.057 1.00 0.00 H ATOM 2151 HD23 LEU C 29 14.031 11.162 22.637 1.00 0.00 H ATOM 2152 HD11 LEU C 29 14.244 14.604 24.125 1.00 0.00 H ATOM 2153 HD12 LEU C 29 12.782 13.924 23.369 1.00 0.00 H ATOM 2154 HD13 LEU C 29 13.772 12.919 24.456 1.00 0.00 H ATOM 2155 H LEU C 29 15.193 16.306 19.817 1.00 0.00 H ATOM 2156 N LEU C 30 17.550 15.712 21.820 1.00 15.57 N ATOM 2157 CA LEU C 30 18.883 15.669 22.424 1.00 15.77 C ATOM 2158 C LEU C 30 19.071 16.898 23.288 1.00 16.42 C ATOM 2159 O LEU C 30 19.633 16.797 24.399 1.00 17.55 O ATOM 2160 CB LEU C 30 19.942 15.539 21.298 1.00 15.65 C ATOM 2161 CG LEU C 30 21.392 15.492 21.696 1.00 17.55 C ATOM 2162 CD1 LEU C 30 21.599 14.402 22.722 1.00 16.71 C ATOM 2163 CD2 LEU C 30 22.186 15.223 20.399 1.00 18.10 C ATOM 2164 HA LEU C 30 19.002 14.802 23.074 1.00 0.00 H ATOM 2165 HB2 LEU C 30 19.725 14.620 20.753 1.00 0.00 H ATOM 2166 HB3 LEU C 30 19.815 16.393 20.633 1.00 0.00 H ATOM 2167 HG LEU C 30 21.729 16.422 22.154 1.00 0.00 H ATOM 2168 HD21 LEU C 30 21.866 14.274 19.969 1.00 0.00 H ATOM 2169 HD22 LEU C 30 22.000 16.027 19.687 1.00 0.00 H ATOM 2170 HD23 LEU C 30 23.251 15.178 20.629 1.00 0.00 H ATOM 2171 HD11 LEU C 30 20.988 14.610 23.600 1.00 0.00 H ATOM 2172 HD12 LEU C 30 21.308 13.442 22.295 1.00 0.00 H ATOM 2173 HD13 LEU C 30 22.650 14.370 23.009 1.00 0.00 H ATOM 2174 H LEU C 30 17.444 15.775 20.787 1.00 0.00 H ATOM 2175 N GLN C 31 18.571 18.060 22.862 1.00 16.79 N ATOM 2176 CA GLN C 31 18.691 19.246 23.692 1.00 18.13 C ATOM 2177 C GLN C 31 17.915 19.113 25.008 1.00 17.24 C ATOM 2178 O GLN C 31 18.363 19.621 26.038 1.00 17.79 O ATOM 2179 CB GLN C 31 18.286 20.486 22.886 1.00 21.45 C ATOM 2180 CG GLN C 31 19.361 20.819 21.834 1.00 24.92 C ATOM 2181 CD GLN C 31 20.757 21.078 22.424 1.00 26.81 C ATOM 2182 OE1 GLN C 31 21.784 20.812 21.786 1.00 28.75 O ATOM 2183 NE2 GLN C 31 20.799 21.612 23.648 1.00 29.86 N ATOM 2184 HA GLN C 31 19.735 19.362 23.984 1.00 0.00 H ATOM 2185 HB2 GLN C 31 17.338 20.294 22.383 1.00 0.00 H ATOM 2186 HB3 GLN C 31 18.171 21.333 23.563 1.00 0.00 H ATOM 2187 HG2 GLN C 31 19.432 19.982 21.140 1.00 0.00 H ATOM 2188 HG3 GLN C 31 19.046 21.712 21.293 1.00 0.00 H ATOM 2189 HE22 GLN C 31 19.915 21.822 24.154 1.00 0.00 H ATOM 2190 HE21 GLN C 31 21.716 21.817 24.095 1.00 0.00 H ATOM 2191 H GLN C 31 18.097 18.116 21.938 1.00 0.00 H ATOM 2192 N LEU C 32 16.764 18.421 24.987 1.00 15.77 N ATOM 2193 CA LEU C 32 15.998 18.198 26.209 1.00 14.63 C ATOM 2194 C LEU C 32 16.795 17.300 27.140 1.00 13.68 C ATOM 2195 O LEU C 32 16.786 17.526 28.357 1.00 13.31 O ATOM 2196 CB LEU C 32 14.663 17.533 25.911 1.00 16.13 C ATOM 2197 CG LEU C 32 13.636 18.471 25.275 1.00 18.58 C ATOM 2198 CD1 LEU C 32 12.467 17.672 24.770 1.00 20.70 C ATOM 2199 CD2 LEU C 32 13.216 19.496 26.315 1.00 22.17 C ATOM 2200 HA LEU C 32 15.808 19.166 26.674 1.00 0.00 H ATOM 2201 HB2 LEU C 32 14.838 16.701 25.229 1.00 0.00 H ATOM 2202 HB3 LEU C 32 14.251 17.154 26.846 1.00 0.00 H ATOM 2203 HG LEU C 32 14.063 18.996 24.421 1.00 0.00 H ATOM 2204 HD21 LEU C 32 12.776 18.984 27.171 1.00 0.00 H ATOM 2205 HD22 LEU C 32 14.089 20.062 26.639 1.00 0.00 H ATOM 2206 HD23 LEU C 32 12.483 20.175 25.879 1.00 0.00 H ATOM 2207 HD11 LEU C 32 12.813 16.955 24.026 1.00 0.00 H ATOM 2208 HD12 LEU C 32 12.006 17.140 25.602 1.00 0.00 H ATOM 2209 HD13 LEU C 32 11.738 18.344 24.318 1.00 0.00 H ATOM 2210 H LEU C 32 16.413 18.038 24.086 1.00 0.00 H ATOM 2211 N THR C 33 17.479 16.292 26.600 1.00 13.42 N ATOM 2212 CA THR C 33 18.239 15.429 27.500 1.00 12.96 C ATOM 2213 C THR C 33 19.423 16.158 28.117 1.00 13.65 C ATOM 2214 O THR C 33 19.776 15.914 29.285 1.00 12.67 O ATOM 2215 CB THR C 33 18.707 14.133 26.820 1.00 13.48 C ATOM 2216 OG1 THR C 33 19.589 14.439 25.733 1.00 15.60 O ATOM 2217 CG2 THR C 33 17.499 13.293 26.358 1.00 15.01 C ATOM 2218 HA THR C 33 17.551 15.152 28.299 1.00 0.00 H ATOM 2219 HB THR C 33 19.261 13.532 27.542 1.00 0.00 H ATOM 2220 HG1 THR C 33 19.884 13.598 25.302 1.00 0.00 H ATOM 2221 HG23 THR C 33 16.856 13.083 27.213 1.00 0.00 H ATOM 2222 HG21 THR C 33 16.938 13.849 25.607 1.00 0.00 H ATOM 2223 HG22 THR C 33 17.853 12.355 25.929 1.00 0.00 H ATOM 2224 H THR C 33 17.472 16.126 25.573 1.00 0.00 H ATOM 2225 N VAL C 34 20.049 17.051 27.345 1.00 13.20 N ATOM 2226 CA VAL C 34 21.162 17.833 27.863 1.00 13.88 C ATOM 2227 C VAL C 34 20.635 18.689 29.041 1.00 12.55 C ATOM 2228 O VAL C 34 21.224 18.729 30.131 1.00 13.43 O ATOM 2229 CB VAL C 34 21.786 18.738 26.773 1.00 14.31 C ATOM 2230 CG1 VAL C 34 22.721 19.732 27.382 1.00 15.35 C ATOM 2231 CG2 VAL C 34 22.474 17.893 25.710 1.00 15.04 C ATOM 2232 HA VAL C 34 21.950 17.159 28.199 1.00 0.00 H ATOM 2233 HB VAL C 34 20.989 19.299 26.285 1.00 0.00 H ATOM 2234 HG11 VAL C 34 22.175 20.357 28.089 1.00 0.00 H ATOM 2235 HG12 VAL C 34 23.520 19.205 27.903 1.00 0.00 H ATOM 2236 HG13 VAL C 34 23.147 20.357 26.597 1.00 0.00 H ATOM 2237 HG21 VAL C 34 23.262 17.300 26.173 1.00 0.00 H ATOM 2238 HG22 VAL C 34 21.744 17.230 25.246 1.00 0.00 H ATOM 2239 HG23 VAL C 34 22.907 18.546 24.952 1.00 0.00 H ATOM 2240 H VAL C 34 19.737 17.189 26.362 1.00 0.00 H ATOM 2241 N TRP C 35 19.482 19.323 28.857 1.00 13.04 N ATOM 2242 CA TRP C 35 18.888 20.137 29.908 1.00 13.11 C ATOM 2243 C TRP C 35 18.548 19.267 31.141 1.00 13.13 C ATOM 2244 O TRP C 35 18.756 19.668 32.278 1.00 12.76 O ATOM 2245 CB TRP C 35 17.630 20.814 29.319 1.00 14.19 C ATOM 2246 CG TRP C 35 16.856 21.626 30.334 1.00 15.43 C ATOM 2247 CD1 TRP C 35 17.009 22.945 30.609 1.00 17.15 C ATOM 2248 CD2 TRP C 35 15.795 21.156 31.191 1.00 15.26 C ATOM 2249 NE1 TRP C 35 16.113 23.347 31.572 1.00 17.80 N ATOM 2250 CE2 TRP C 35 15.359 22.273 31.963 1.00 15.57 C ATOM 2251 CE3 TRP C 35 15.187 19.913 31.393 1.00 15.49 C ATOM 2252 CZ2 TRP C 35 14.332 22.175 32.905 1.00 15.31 C ATOM 2253 CZ3 TRP C 35 14.154 19.805 32.349 1.00 16.17 C ATOM 2254 CH2 TRP C 35 13.752 20.944 33.090 1.00 14.74 C ATOM 2255 HA TRP C 35 19.587 20.900 30.250 1.00 0.00 H ATOM 2256 HB2 TRP C 35 17.940 21.476 28.510 1.00 0.00 H ATOM 2257 HB3 TRP C 35 16.974 20.039 28.922 1.00 0.00 H ATOM 2258 HE1 TRP C 35 16.023 24.314 31.944 1.00 0.00 H ATOM 2259 HD1 TRP C 35 17.741 23.597 30.133 1.00 0.00 H ATOM 2260 HZ2 TRP C 35 14.003 23.045 33.473 1.00 0.00 H ATOM 2261 HH2 TRP C 35 12.958 20.840 33.830 1.00 0.00 H ATOM 2262 HZ3 TRP C 35 13.665 18.845 32.517 1.00 0.00 H ATOM 2263 HE3 TRP C 35 15.506 19.041 30.821 1.00 0.00 H ATOM 2264 H TRP C 35 18.993 19.236 27.943 1.00 0.00 H ATOM 2265 N GLY C 36 18.004 18.072 30.893 1.00 12.50 N ATOM 2266 CA GLY C 36 17.630 17.200 31.998 1.00 12.50 C ATOM 2267 C GLY C 36 18.844 16.766 32.817 1.00 11.58 C ATOM 2268 O GLY C 36 18.776 16.771 34.042 1.00 11.70 O ATOM 2269 HA3 GLY C 36 17.140 16.313 31.597 1.00 0.00 H ATOM 2270 HA2 GLY C 36 16.937 17.733 32.649 1.00 0.00 H ATOM 2271 H GLY C 36 17.848 17.765 29.912 1.00 0.00 H ATOM 2272 N ILE C 37 19.953 16.392 32.174 1.00 11.85 N ATOM 2273 CA ILE C 37 21.146 16.019 32.884 1.00 11.18 C ATOM 2274 C ILE C 37 21.625 17.245 33.703 1.00 11.99 C ATOM 2275 O ILE C 37 22.017 17.083 34.860 1.00 12.24 O ATOM 2276 CB ILE C 37 22.190 15.556 31.882 1.00 11.22 C ATOM 2277 CG1 ILE C 37 21.763 14.216 31.281 1.00 12.70 C ATOM 2278 CG2 ILE C 37 23.538 15.450 32.600 1.00 13.25 C ATOM 2279 CD1 ILE C 37 22.506 13.862 29.955 1.00 13.00 C ATOM 2280 HA ILE C 37 20.962 15.196 33.574 1.00 0.00 H ATOM 2281 HB ILE C 37 22.286 16.269 31.063 1.00 0.00 H ATOM 2282 HG12 ILE C 37 21.965 13.431 32.010 1.00 0.00 H ATOM 2283 HG13 ILE C 37 20.693 14.255 31.077 1.00 0.00 H ATOM 2284 HD11 ILE C 37 22.305 14.633 29.211 1.00 0.00 H ATOM 2285 HD12 ILE C 37 23.578 13.808 30.144 1.00 0.00 H ATOM 2286 HD13 ILE C 37 22.152 12.899 29.588 1.00 0.00 H ATOM 2287 HG21 ILE C 37 23.813 16.426 33.001 1.00 0.00 H ATOM 2288 HG22 ILE C 37 23.459 14.731 33.415 1.00 0.00 H ATOM 2289 HG23 ILE C 37 24.299 15.118 31.894 1.00 0.00 H ATOM 2290 H ILE C 37 19.954 16.370 31.134 1.00 0.00 H ATOM 2291 N LYS C 38 21.577 18.442 33.094 1.00 11.84 N ATOM 2292 CA LYS C 38 21.982 19.645 33.809 1.00 13.62 C ATOM 2293 C LYS C 38 21.158 19.849 35.083 1.00 12.64 C ATOM 2294 O LYS C 38 21.725 20.180 36.163 1.00 12.58 O ATOM 2295 CB LYS C 38 21.866 20.849 32.861 1.00 15.00 C ATOM 2296 CG LYS C 38 22.507 22.109 33.369 1.00 17.76 C ATOM 2297 CD LYS C 38 22.427 23.175 32.247 1.00 20.78 C ATOM 2298 CE LYS C 38 23.281 24.413 32.600 1.00 25.34 C ATOM 2299 NZ LYS C 38 22.676 25.138 33.722 1.00 29.03 N ATOM 2300 HA LYS C 38 23.019 19.539 34.129 1.00 0.00 H ATOM 2301 HB2 LYS C 38 22.339 20.584 31.915 1.00 0.00 H ATOM 2302 HB3 LYS C 38 20.808 21.049 32.693 1.00 0.00 H ATOM 2303 HG2 LYS C 38 21.978 22.463 34.254 1.00 0.00 H ATOM 2304 HG3 LYS C 38 23.549 21.917 33.623 1.00 0.00 H ATOM 2305 HD2 LYS C 38 22.794 22.742 31.316 1.00 0.00 H ATOM 2306 HD3 LYS C 38 21.389 23.482 32.119 1.00 0.00 H ATOM 2307 HE2 LYS C 38 23.338 25.071 31.733 1.00 0.00 H ATOM 2308 HE3 LYS C 38 24.285 24.092 32.877 1.00 0.00 H ATOM 2309 HZ1 LYS C 38 21.719 25.447 33.458 1.00 0.00 H ATOM 2310 HZ2 LYS C 38 22.623 24.511 34.550 1.00 0.00 H ATOM 2311 HZ3 LYS C 38 23.259 25.969 33.951 1.00 0.00 H ATOM 2312 H LYS C 38 21.250 18.510 32.109 1.00 0.00 H ATOM 2313 N GLN C 39 19.840 19.622 35.001 1.00 11.99 N ATOM 2314 CA GLN C 39 19.019 19.796 36.189 1.00 11.84 C ATOM 2315 C GLN C 39 19.345 18.763 37.259 1.00 12.24 C ATOM 2316 O GLN C 39 19.411 19.079 38.453 1.00 12.42 O ATOM 2317 CB GLN C 39 17.514 19.657 35.900 1.00 12.90 C ATOM 2318 CG GLN C 39 16.970 20.512 34.757 1.00 14.71 C ATOM 2319 CD GLN C 39 17.504 21.892 34.747 1.00 17.73 C ATOM 2320 OE1 GLN C 39 17.218 22.660 35.669 1.00 22.45 O ATOM 2321 NE2 GLN C 39 18.276 22.252 33.701 1.00 20.02 N ATOM 2322 HA GLN C 39 19.246 20.806 36.532 1.00 0.00 H ATOM 2323 HB2 GLN C 39 17.315 18.613 35.659 1.00 0.00 H ATOM 2324 HB3 GLN C 39 16.973 19.929 36.807 1.00 0.00 H ATOM 2325 HG2 GLN C 39 17.231 20.034 33.813 1.00 0.00 H ATOM 2326 HG3 GLN C 39 15.885 20.562 34.849 1.00 0.00 H ATOM 2327 HE22 GLN C 39 18.487 21.565 32.949 1.00 0.00 H ATOM 2328 HE21 GLN C 39 18.660 23.217 33.646 1.00 0.00 H ATOM 2329 H GLN C 39 19.410 19.326 34.101 1.00 0.00 H ATOM 2330 N LEU C 40 19.570 17.506 36.854 1.00 10.89 N ATOM 2331 CA LEU C 40 19.875 16.465 37.853 1.00 11.44 C ATOM 2332 C LEU C 40 21.233 16.685 38.497 1.00 10.71 C ATOM 2333 O LEU C 40 21.374 16.505 39.701 1.00 11.30 O ATOM 2334 CB LEU C 40 19.840 15.068 37.198 1.00 12.26 C ATOM 2335 CG LEU C 40 18.441 14.759 36.635 1.00 12.85 C ATOM 2336 CD1 LEU C 40 18.523 13.349 36.066 1.00 16.06 C ATOM 2337 CD2 LEU C 40 17.286 14.888 37.650 1.00 17.91 C ATOM 2338 HA LEU C 40 19.113 16.527 38.630 1.00 0.00 H ATOM 2339 HB2 LEU C 40 20.567 15.036 36.386 1.00 0.00 H ATOM 2340 HB3 LEU C 40 20.098 14.317 37.945 1.00 0.00 H ATOM 2341 HG LEU C 40 18.192 15.505 35.880 1.00 0.00 H ATOM 2342 HD21 LEU C 40 17.451 14.196 38.476 1.00 0.00 H ATOM 2343 HD22 LEU C 40 17.251 15.909 38.031 1.00 0.00 H ATOM 2344 HD23 LEU C 40 16.343 14.650 37.158 1.00 0.00 H ATOM 2345 HD11 LEU C 40 19.280 13.318 35.283 1.00 0.00 H ATOM 2346 HD12 LEU C 40 18.792 12.653 36.861 1.00 0.00 H ATOM 2347 HD13 LEU C 40 17.555 13.070 35.649 1.00 0.00 H ATOM 2348 H LEU C 40 19.530 17.266 35.843 1.00 0.00 H ATOM 2349 N GLN C 41 22.218 17.100 37.704 1.00 11.62 N ATOM 2350 CA GLN C 41 23.524 17.354 38.322 1.00 11.12 C ATOM 2351 C GLN C 41 23.427 18.515 39.332 1.00 10.98 C ATOM 2352 O GLN C 41 24.006 18.409 40.404 1.00 12.39 O ATOM 2353 CB GLN C 41 24.573 17.668 37.257 1.00 11.92 C ATOM 2354 CG GLN C 41 25.878 18.060 37.845 1.00 11.53 C ATOM 2355 CD GLN C 41 26.841 18.624 36.838 1.00 12.64 C ATOM 2356 OE1 GLN C 41 26.462 19.381 35.962 1.00 13.16 O ATOM 2357 NE2 GLN C 41 28.109 18.247 36.973 1.00 13.67 N ATOM 2358 HA GLN C 41 23.830 16.453 38.854 1.00 0.00 H ATOM 2359 HB2 GLN C 41 24.720 16.783 36.638 1.00 0.00 H ATOM 2360 HB3 GLN C 41 24.208 18.487 36.637 1.00 0.00 H ATOM 2361 HG2 GLN C 41 25.699 18.813 38.612 1.00 0.00 H ATOM 2362 HG3 GLN C 41 26.331 17.179 38.301 1.00 0.00 H ATOM 2363 HE22 GLN C 41 28.380 17.598 37.739 1.00 0.00 H ATOM 2364 HE21 GLN C 41 28.830 18.601 36.312 1.00 0.00 H ATOM 2365 H GLN C 41 22.067 17.239 36.684 1.00 0.00 H ATOM 2366 N ALA C 42 22.655 19.550 38.994 1.00 12.53 N ATOM 2367 CA ALA C 42 22.548 20.684 39.928 1.00 12.08 C ATOM 2368 C ALA C 42 21.892 20.207 41.218 1.00 14.57 C ATOM 2369 O ALA C 42 22.277 20.635 42.296 1.00 15.73 O ATOM 2370 CB ALA C 42 21.785 21.825 39.295 1.00 13.83 C ATOM 2371 HA ALA C 42 23.542 21.062 40.166 1.00 0.00 H ATOM 2372 HB1 ALA C 42 22.307 22.155 38.397 1.00 0.00 H ATOM 2373 HB2 ALA C 42 20.782 21.488 39.032 1.00 0.00 H ATOM 2374 HB3 ALA C 42 21.718 22.652 40.002 1.00 0.00 H ATOM 2375 H ALA C 42 22.140 19.556 38.090 1.00 0.00 H ATOM 2376 N ARG C 43 20.905 19.317 41.147 1.00 13.64 N ATOM 2377 CA ARG C 43 20.267 18.803 42.327 1.00 16.22 C ATOM 2378 C ARG C 43 21.262 18.004 43.196 1.00 15.07 C ATOM 2379 O ARG C 43 21.310 18.167 44.435 1.00 17.46 O ATOM 2380 CB ARG C 43 19.133 17.887 41.852 1.00 18.06 C ATOM 2381 CG ARG C 43 18.391 17.237 42.895 1.00 22.64 C ATOM 2382 CD ARG C 43 17.588 18.248 43.679 1.00 25.20 C ATOM 2383 NE ARG C 43 16.892 17.414 44.577 1.00 27.65 N ATOM 2384 CZ ARG C 43 15.598 17.421 44.758 1.00 20.75 C ATOM 2385 NH1 ARG C 43 14.786 18.278 44.107 1.00 24.75 N ATOM 2386 NH2 ARG C 43 15.166 16.470 45.516 1.00 23.93 N ATOM 2387 HA ARG C 43 19.890 19.621 42.941 1.00 0.00 H ATOM 2388 HB2 ARG C 43 18.437 18.488 41.268 1.00 0.00 H ATOM 2389 HB3 ARG C 43 19.567 17.115 41.216 1.00 0.00 H ATOM 2390 HG2 ARG C 43 17.714 16.506 42.453 1.00 0.00 H ATOM 2391 HG3 ARG C 43 19.084 16.730 43.566 1.00 0.00 H ATOM 2392 HD2 ARG C 43 16.904 18.800 43.035 1.00 0.00 H ATOM 2393 HD3 ARG C 43 18.235 18.950 44.206 1.00 0.00 H ATOM 2394 HE ARG C 43 17.452 16.741 45.139 1.00 0.00 H ATOM 2395 HH12 ARG C 43 13.760 18.254 44.277 1.00 0.00 H ATOM 2396 HH11 ARG C 43 15.185 18.963 43.434 1.00 0.00 H ATOM 2397 HH22 ARG C 43 14.150 16.389 45.721 1.00 0.00 H ATOM 2398 HH21 ARG C 43 15.834 15.784 45.922 1.00 0.00 H ATOM 2399 H ARG C 43 20.588 18.985 40.214 1.00 0.00 H ATOM 2400 N ILE C 44 22.068 17.165 42.553 1.00 14.44 N ATOM 2401 CA ILE C 44 23.038 16.315 43.242 1.00 14.63 C ATOM 2402 C ILE C 44 24.136 17.153 43.887 1.00 16.35 C ATOM 2403 O ILE C 44 24.561 16.817 44.991 1.00 19.28 O ATOM 2404 CB ILE C 44 23.646 15.248 42.280 1.00 15.70 C ATOM 2405 CG1 ILE C 44 22.554 14.221 41.940 1.00 16.08 C ATOM 2406 CG2 ILE C 44 24.826 14.548 42.941 1.00 16.89 C ATOM 2407 CD1 ILE C 44 22.900 13.411 40.739 1.00 19.48 C ATOM 2408 HA ILE C 44 22.507 15.784 44.032 1.00 0.00 H ATOM 2409 HB ILE C 44 24.002 15.734 41.372 1.00 0.00 H ATOM 2410 HG12 ILE C 44 22.424 13.551 42.790 1.00 0.00 H ATOM 2411 HG13 ILE C 44 21.620 14.750 41.750 1.00 0.00 H ATOM 2412 HD11 ILE C 44 23.025 14.071 39.881 1.00 0.00 H ATOM 2413 HD12 ILE C 44 23.829 12.871 40.922 1.00 0.00 H ATOM 2414 HD13 ILE C 44 22.099 12.700 40.539 1.00 0.00 H ATOM 2415 HG21 ILE C 44 25.592 15.283 43.186 1.00 0.00 H ATOM 2416 HG22 ILE C 44 24.490 14.054 43.853 1.00 0.00 H ATOM 2417 HG23 ILE C 44 25.238 13.807 42.256 1.00 0.00 H ATOM 2418 H ILE C 44 22.006 17.111 41.516 1.00 0.00 H ATOM 2419 N LEU C 45 24.563 18.245 43.258 1.00 15.72 N ATOM 2420 CA LEU C 45 25.640 19.046 43.883 1.00 15.80 C ATOM 2421 C LEU C 45 25.104 20.062 44.867 1.00 18.22 C ATOM 2422 O LEU C 45 25.942 20.559 45.658 1.00 19.14 O ATOM 2423 CB LEU C 45 26.448 19.745 42.801 1.00 15.66 C ATOM 2424 CG LEU C 45 27.262 18.857 41.878 1.00 15.35 C ATOM 2425 CD1 LEU C 45 27.900 19.729 40.823 1.00 17.27 C ATOM 2426 CD2 LEU C 45 28.348 18.130 42.701 1.00 18.49 C ATOM 2427 HA LEU C 45 26.278 18.362 44.443 1.00 0.00 H ATOM 2428 OXT LEU C 45 23.868 20.365 44.884 1.00 20.39 O ATOM 2429 HB2 LEU C 45 25.752 20.314 42.184 1.00 0.00 H ATOM 2430 HB3 LEU C 45 27.138 20.430 43.294 1.00 0.00 H ATOM 2431 HG LEU C 45 26.627 18.111 41.401 1.00 0.00 H ATOM 2432 HD21 LEU C 45 29.000 18.866 43.170 1.00 0.00 H ATOM 2433 HD22 LEU C 45 27.873 17.521 43.470 1.00 0.00 H ATOM 2434 HD23 LEU C 45 28.935 17.491 42.041 1.00 0.00 H ATOM 2435 HD11 LEU C 45 27.122 20.242 40.258 1.00 0.00 H ATOM 2436 HD12 LEU C 45 28.547 20.463 41.303 1.00 0.00 H ATOM 2437 HD13 LEU C 45 28.490 19.108 40.149 1.00 0.00 H ATOM 2438 H LEU C 45 24.149 18.530 42.347 1.00 0.00 H TER 2439 LEU C 45 HETATM 2440 O HOH 1 23.911 6.454 -21.684 1.00 53.50 O HETATM 2441 O HOH 2 30.822 2.444 -19.357 1.00 52.17 O HETATM 2442 O HOH 3 30.369 13.971 -17.693 1.00 37.33 O HETATM 2443 O HOH 4 27.699 12.875 -16.588 1.00 46.63 O HETATM 2444 O HOH 5 23.417 1.727 -13.168 1.00 48.41 O HETATM 2445 O HOH 6 24.012 1.401 -16.007 1.00 58.65 O HETATM 2446 O HOH 7 16.572 3.069 -7.418 1.00 36.12 O HETATM 2447 O HOH 8 14.274 2.668 -8.334 1.00 55.01 O HETATM 2448 O HOH 9 33.753 7.275 -10.261 1.00 53.14 O HETATM 2449 O HOH 10 20.318 -0.862 -12.067 1.00 28.89 O HETATM 2450 O HOH 11 26.434 1.459 -10.129 1.00 43.04 O HETATM 2451 O HOH 12 27.878 0.323 -12.146 1.00 55.95 O HETATM 2452 O HOH 13 31.427 0.259 -10.741 1.00 52.47 O HETATM 2453 O HOH 14 29.889 8.411 -6.889 1.00 56.49 O HETATM 2454 O HOH 15 22.532 1.843 -4.021 1.00 32.19 O HETATM 2455 O HOH 16 23.814 -0.534 -4.336 1.00 39.56 O HETATM 2456 O HOH 17 19.996 1.598 -5.292 1.00 33.28 O HETATM 2457 O HOH 18 25.262 -3.040 -8.386 1.00 28.37 O HETATM 2458 O HOH 19 22.556 0.000 0.001 1.00 30.95 O HETATM 2459 O HOH 20 24.369 -1.421 -1.823 1.00 29.32 O HETATM 2460 O HOH 21 29.134 -0.583 -6.291 1.00 46.18 O HETATM 2461 O HOH 22 27.394 2.286 -5.533 1.00 43.67 O HETATM 2462 O HOH 23 26.774 0.049 -4.387 1.00 45.47 O HETATM 2463 O HOH 24 30.008 5.236 1.507 1.00 52.80 O HETATM 2464 O HOH 25 27.776 4.560 0.356 1.00 42.94 O HETATM 2465 O HOH 26 32.018 6.237 0.261 1.00 53.15 O HETATM 2466 O HOH 27 18.650 4.426 -0.423 1.00 34.71 O HETATM 2467 O HOH 28 18.919 1.842 -1.284 1.00 42.23 O HETATM 2468 O HOH 29 11.826 6.239 7.700 1.00 59.49 O HETATM 2469 O HOH 30 13.683 5.469 2.919 1.00 52.76 O HETATM 2470 O HOH 31 16.956 4.594 1.380 1.00 47.84 O HETATM 2471 O HOH 32 17.260 2.099 7.679 1.00 46.32 O HETATM 2472 O HOH 33 17.636 1.737 -4.073 1.00 51.94 O HETATM 2473 O HOH 34 16.221 5.835 9.764 1.00 30.19 O HETATM 2474 O HOH 35 26.030 8.926 8.979 1.00 51.32 O HETATM 2475 O HOH 36 13.758 2.898 9.624 1.00 52.05 O HETATM 2476 O HOH 37 14.899 5.914 11.925 1.00 35.86 O HETATM 2477 O HOH 38 19.841 0.030 14.724 1.00 45.90 O HETATM 2478 O HOH 39 13.772 2.335 12.179 1.00 50.60 O HETATM 2479 O HOH 40 13.367 0.805 6.229 1.00 51.80 O HETATM 2480 O HOH 41 15.587 3.501 15.845 1.00 30.05 O HETATM 2481 O HOH 42 14.280 4.098 13.819 1.00 48.74 O HETATM 2482 O HOH 43 14.273 3.983 18.042 1.00 32.62 O HETATM 2483 O HOH 44 14.275 2.720 20.720 1.00 40.19 O HETATM 2484 O HOH 45 21.969 2.228 18.885 1.00 22.32 O HETATM 2485 O HOH 46 11.908 3.300 22.023 1.00 50.50 O HETATM 2486 O HOH 47 13.679 0.626 18.643 1.00 46.64 O HETATM 2487 O HOH 48 16.369 2.196 22.597 1.00 30.08 O HETATM 2488 O HOH 49 12.828 6.527 18.634 1.00 37.29 O HETATM 2489 O HOH 50 11.867 0.791 23.131 1.00 58.27 O HETATM 2490 O HOH 51 24.646 5.366 17.812 1.00 50.24 O HETATM 2491 O HOH 52 20.954 0.091 17.131 1.00 49.14 O HETATM 2492 O HOH 53 14.819 8.442 19.922 1.00 33.61 O HETATM 2493 O HOH 54 10.854 5.349 19.724 1.00 45.89 O HETATM 2494 O HOH 55 10.710 9.378 19.376 1.00 37.52 O HETATM 2495 O HOH 56 10.497 10.303 21.845 1.00 34.96 O HETATM 2496 O HOH 57 12.866 5.691 26.354 1.00 28.86 O HETATM 2497 O HOH 58 10.758 7.878 25.495 1.00 42.32 O HETATM 2498 O HOH 59 11.782 6.555 28.773 1.00 29.65 O HETATM 2499 O HOH 60 10.296 8.472 27.988 1.00 37.31 O HETATM 2500 O HOH 61 4.517 11.209 28.654 1.00 38.41 O HETATM 2501 O HOH 62 20.934 12.065 25.212 1.00 18.68 O HETATM 2502 O HOH 63 7.101 5.989 26.485 1.00 48.02 O HETATM 2503 O HOH 64 7.226 10.744 27.574 1.00 33.30 O HETATM 2504 O HOH 65 14.326 5.004 39.584 1.00 20.31 O HETATM 2505 O HOH 66 11.973 4.544 38.034 1.00 32.93 O HETATM 2506 O HOH 67 11.064 0.945 32.640 1.00 30.78 O HETATM 2507 O HOH 68 10.072 4.538 29.943 1.00 33.10 O HETATM 2508 O HOH 69 10.573 4.216 33.496 1.00 33.22 O HETATM 2509 O HOH 70 10.336 5.922 36.364 1.00 48.48 O HETATM 2510 O HOH 71 9.113 5.209 40.332 1.00 51.71 O HETATM 2511 O HOH 72 9.980 8.713 42.573 1.00 24.98 O HETATM 2512 O HOH 73 17.708 6.542 -1.798 1.00 36.93 O HETATM 2513 O HOH 74 10.278 11.397 38.730 1.00 17.13 O HETATM 2514 O HOH 75 11.290 10.478 36.184 1.00 15.62 O HETATM 2515 O HOH 76 8.444 12.988 37.395 1.00 17.25 O HETATM 2516 O HOH 77 8.735 9.911 40.361 1.00 25.18 O HETATM 2517 O HOH 78 6.665 11.917 35.865 1.00 28.95 O HETATM 2518 O HOH 79 8.907 9.736 35.113 1.00 28.77 O HETATM 2519 O HOH 80 10.416 5.919 42.300 1.00 32.80 O HETATM 2520 O HOH 81 8.278 3.600 38.536 1.00 54.85 O HETATM 2521 O HOH 82 14.183 7.249 45.734 1.00 23.53 O HETATM 2522 O HOH 83 11.426 7.965 46.547 1.00 34.68 O HETATM 2523 O HOH 84 16.907 2.218 41.970 1.00 39.50 O HETATM 2524 O HOH 85 16.479 14.336 46.761 1.00 23.72 O HETATM 2525 O HOH 86 8.319 12.931 45.022 1.00 22.11 O HETATM 2526 O HOH 87 7.189 12.423 42.385 1.00 39.34 O HETATM 2527 O HOH 88 8.599 9.769 44.603 1.00 40.15 O HETATM 2528 O HOH 89 4.658 9.906 36.513 1.00 44.24 O HETATM 2529 O HOH 90 8.232 8.793 29.619 1.00 39.50 O HETATM 2530 O HOH 91 25.612 14.159 -18.301 1.00 56.10 O HETATM 2531 O HOH 92 33.904 2.165 -15.960 1.00 57.70 O HETATM 2532 O HOH 93 33.766 4.315 -14.106 1.00 57.44 O HETATM 2533 O HOH 94 26.831 7.497 7.075 1.00 40.38 O HETATM 2534 O HOH 95 26.562 8.206 4.240 1.00 32.00 O HETATM 2535 O HOH 96 29.081 7.039 3.251 1.00 46.30 O HETATM 2536 O HOH 97 22.080 -0.975 10.516 1.00 39.31 O HETATM 2537 O HOH 98 28.185 3.991 13.044 1.00 45.28 O HETATM 2538 O HOH 99 12.557 7.102 10.996 1.00 52.21 O HETATM 2539 O HOH 100 8.932 7.961 36.476 1.00 45.85 O HETATM 2540 O HOH 101 12.712 5.206 41.719 1.00 38.55 O HETATM 2541 O HOH 102 9.431 10.564 47.230 1.00 35.27 O HETATM 2542 O HOH 103 6.643 9.576 45.596 1.00 44.00 O HETATM 2543 O HOH 104 21.501 13.657 45.856 1.00 43.49 O HETATM 2544 O HOH 105 19.368 14.112 46.567 1.00 41.15 O HETATM 2545 O HOH 106 20.913 12.058 48.230 1.00 36.86 O HETATM 2546 O HOH 107 13.556 4.967 44.137 1.00 49.55 O HETATM 2547 O HOH 108 17.568 0.000 0.010 1.00 54.94 O HETATM 2548 O HOH 109 17.847 -0.139 11.093 1.00 42.03 O HETATM 2549 O HOH 110 25.734 4.074 15.641 1.00 35.36 O HETATM 2550 O HOH 111 8.107 7.930 38.831 1.00 37.47 O HETATM 2551 O HOH 112 10.614 4.603 44.378 1.00 61.10 O HETATM 2552 O HOH 113 18.956 16.356 45.521 1.00 36.93 O HETATM 2553 O HOH 114 15.655 2.938 40.183 1.00 40.77 O HETATM 2554 O HOH 115 15.688 -1.613 19.777 1.00 47.04 O HETATM 2555 O HOH 116 28.220 11.179 -23.836 1.00 53.67 O HETATM 2556 O HOH 117 27.905 3.222 -7.774 1.00 44.54 O HETATM 2557 O HOH 118 21.588 1.778 21.594 1.00 28.43 O HETATM 2558 O HOH 119 24.603 2.631 19.581 1.00 25.55 O HETATM 2559 O HOH 120 19.747 -0.562 21.394 1.00 36.92 O HETATM 2560 O HOH 121 13.316 2.342 26.849 1.00 43.22 O HETATM 2561 O HOH 122 16.468 -1.186 26.444 1.00 32.71 O HETATM 2562 O HOH 123 16.382 -1.374 34.997 1.00 34.36 O HETATM 2563 O HOH 124 17.474 -0.717 38.167 1.00 28.82 O HETATM 2564 O HOH 125 17.984 -2.951 33.186 1.00 27.39 O HETATM 2565 O HOH 126 16.999 1.929 37.830 1.00 37.09 O HETATM 2566 O HOH 127 20.595 3.071 39.121 1.00 19.51 O HETATM 2567 O HOH 128 18.317 4.417 39.397 1.00 44.00 O HETATM 2568 O HOH 129 10.983 -2.804 30.948 1.00 52.39 O HETATM 2569 O HOH 130 12.861 0.902 39.566 1.00 51.74 O HETATM 2570 O HOH 131 14.353 -1.379 39.210 1.00 48.06 O HETATM 2571 O HOH 132 13.014 -3.417 36.263 1.00 46.54 O HETATM 2572 O HOH 133 11.101 -2.319 39.669 1.00 61.24 O HETATM 2573 O HOH 134 20.879 -3.825 31.838 1.00 26.25 O HETATM 2574 O HOH 135 24.470 -4.753 28.192 1.00 36.86 O HETATM 2575 O HOH 136 22.117 -5.700 29.831 1.00 38.03 O HETATM 2576 O HOH 137 19.685 0.721 41.041 1.00 28.21 O HETATM 2577 O HOH 138 20.274 5.127 40.337 1.00 32.29 O HETATM 2578 O HOH 139 26.891 -1.858 33.829 1.00 23.69 O HETATM 2579 O HOH 140 28.775 -3.310 32.521 1.00 38.13 O HETATM 2580 O HOH 141 31.335 0.587 33.068 1.00 34.37 O HETATM 2581 O HOH 142 33.465 2.665 34.521 1.00 52.27 O HETATM 2582 O HOH 143 12.966 3.595 24.673 1.00 59.42 O HETATM 2583 O HOH 144 14.180 -9.552 32.610 1.00 37.66 O HETATM 2584 O HOH 145 26.549 -4.072 22.858 1.00 48.05 O HETATM 2585 O HOH 146 21.688 -2.141 22.847 1.00 36.75 O HETATM 2586 O HOH 147 15.457 1.462 27.799 1.00 38.11 O HETATM 2587 O HOH 148 26.880 -5.627 28.327 1.00 44.89 O HETATM 2588 O HOH 149 28.682 -5.605 33.707 1.00 43.34 O HETATM 2589 O HOH 150 15.403 -11.541 32.995 1.00 47.59 O HETATM 2590 O HOH 151 24.284 17.480 -21.684 1.00 53.50 O HETATM 2591 O HOH 152 24.301 25.471 -19.357 1.00 52.17 O HETATM 2592 O HOH 153 14.545 19.315 -17.693 1.00 37.33 O HETATM 2593 O HOH 154 16.829 17.550 -16.588 1.00 46.63 O HETATM 2594 O HOH 155 28.625 19.416 -13.168 1.00 48.41 O HETATM 2595 O HOH 156 28.610 20.095 -16.007 1.00 58.65 O HETATM 2596 O HOH 157 30.885 12.817 -7.418 1.00 36.12 O HETATM 2597 O HOH 158 32.381 11.028 -8.334 1.00 55.01 O HETATM 2598 O HOH 159 18.652 25.593 -10.261 1.00 53.14 O HETATM 2599 O HOH 160 32.416 18.027 -12.067 1.00 28.89 O HETATM 2600 O HOH 161 27.349 22.163 -10.129 1.00 43.04 O HETATM 2601 O HOH 162 27.610 23.982 -12.146 1.00 55.95 O HETATM 2602 O HOH 163 25.891 27.087 -10.741 1.00 52.47 O HETATM 2603 O HOH 164 19.600 21.679 -6.889 1.00 56.49 O HETATM 2604 O HOH 165 28.967 18.592 -4.021 1.00 32.19 O HETATM 2605 O HOH 166 30.384 20.890 -4.336 1.00 39.56 O HETATM 2606 O HOH 167 30.447 16.518 -5.292 1.00 33.28 O HETATM 2607 O HOH 168 31.831 23.398 -8.386 1.00 28.37 O HETATM 2608 O HOH 169 30.875 21.815 -1.823 1.00 29.32 O HETATM 2609 O HOH 170 27.767 25.522 -6.291 1.00 46.18 O HETATM 2610 O HOH 171 26.152 22.581 -5.533 1.00 43.67 O HETATM 2611 O HOH 172 28.400 23.163 -4.387 1.00 45.47 O HETATM 2612 O HOH 173 22.291 23.370 1.507 1.00 52.80 O HETATM 2613 O HOH 174 23.992 21.775 0.356 1.00 42.94 O HETATM 2614 O HOH 175 20.419 24.610 0.261 1.00 53.15 O HETATM 2615 O HOH 176 28.671 13.938 -0.423 1.00 34.71 O HETATM 2616 O HOH 177 30.774 15.463 -1.284 1.00 42.23 O HETATM 2617 O HOH 178 30.513 7.122 7.700 1.00 59.49 O HETATM 2618 O HOH 179 30.251 9.115 2.919 1.00 52.76 O HETATM 2619 O HOH 180 29.372 12.387 1.380 1.00 47.84 O HETATM 2620 O HOH 181 31.381 13.898 7.679 1.00 46.32 O HETATM 2621 O HOH 182 31.507 14.405 -4.073 1.00 51.94 O HETATM 2622 O HOH 183 28.665 11.130 9.764 1.00 30.19 O HETATM 2623 O HOH 184 21.084 18.080 8.979 1.00 51.32 O HETATM 2624 O HOH 185 32.440 10.466 9.624 1.00 52.05 O HETATM 2625 O HOH 186 29.258 9.946 11.925 1.00 35.86 O HETATM 2626 O HOH 187 31.883 17.168 14.724 1.00 45.90 O HETATM 2627 O HOH 188 32.921 10.759 12.179 1.00 50.60 O HETATM 2628 O HOH 189 34.448 11.174 6.229 1.00 51.80 O HETATM 2629 O HOH 190 31.003 11.748 15.845 1.00 30.05 O HETATM 2630 O HOH 191 31.140 10.318 13.819 1.00 48.74 O HETATM 2631 O HOH 192 31.243 10.369 18.042 1.00 32.62 O HETATM 2632 O HOH 193 32.336 11.002 20.720 1.00 40.19 O HETATM 2633 O HOH 194 28.915 17.912 18.885 1.00 22.32 O HETATM 2634 O HOH 195 33.017 8.663 22.023 1.00 50.50 O HETATM 2635 O HOH 196 34.447 11.533 18.643 1.00 46.64 O HETATM 2636 O HOH 197 31.743 13.078 22.597 1.00 30.08 O HETATM 2637 O HOH 198 29.762 7.846 18.634 1.00 37.29 O HETATM 2638 O HOH 199 35.211 9.882 23.131 1.00 58.27 O HETATM 2639 O HOH 200 24.859 18.661 17.812 1.00 50.24 O HETATM 2640 O HOH 201 31.273 18.101 17.131 1.00 49.14 O HETATM 2641 O HOH 202 27.108 8.613 19.922 1.00 33.61 O HETATM 2642 O HOH 203 31.770 6.725 19.724 1.00 45.89 O HETATM 2643 O HOH 204 28.352 4.586 19.376 1.00 37.52 O HETATM 2644 O HOH 205 27.658 3.939 21.845 1.00 34.96 O HETATM 2645 O HOH 206 30.467 8.297 26.354 1.00 28.86 O HETATM 2646 O HOH 207 29.628 5.378 25.495 1.00 42.32 O HETATM 2647 O HOH 208 30.261 6.926 28.773 1.00 29.65 O HETATM 2648 O HOH 209 29.344 4.681 27.988 1.00 37.31 O HETATM 2649 O HOH 210 29.863 -1.693 28.654 1.00 38.41 O HETATM 2650 O HOH 211 33.092 3.155 26.485 1.00 48.02 O HETATM 2651 O HOH 212 28.911 0.886 27.574 1.00 33.30 O HETATM 2652 O HOH 213 30.332 9.905 39.584 1.00 20.31 O HETATM 2653 O HOH 214 31.907 8.097 38.034 1.00 32.93 O HETATM 2654 O HOH 215 35.479 9.109 32.640 1.00 30.78 O HETATM 2655 O HOH 216 32.863 6.454 29.943 1.00 33.10 O HETATM 2656 O HOH 217 32.891 7.048 33.496 1.00 33.22 O HETATM 2657 O HOH 218 31.532 5.990 36.364 1.00 48.48 O HETATM 2658 O HOH 219 32.761 5.288 40.332 1.00 51.71 O HETATM 2659 O HOH 220 29.293 4.286 42.573 1.00 24.98 O HETATM 2660 O HOH 221 27.309 12.065 -1.798 1.00 36.93 O HETATM 2661 O HOH 222 26.820 3.203 38.730 1.00 17.13 O HETATM 2662 O HOH 223 27.110 4.538 36.184 1.00 15.62 O HETATM 2663 O HOH 224 26.359 0.819 37.395 1.00 17.25 O HETATM 2664 O HOH 225 28.878 2.609 40.361 1.00 25.18 O HETATM 2665 O HOH 226 28.176 -0.186 35.865 1.00 28.95 O HETATM 2666 O HOH 227 28.944 2.846 35.113 1.00 28.77 O HETATM 2667 O HOH 228 31.495 6.061 42.300 1.00 32.80 O HETATM 2668 O HOH 229 34.572 5.369 38.536 1.00 54.85 O HETATM 2669 O HOH 230 28.460 8.658 45.734 1.00 23.53 O HETATM 2670 O HOH 231 29.218 5.913 46.547 1.00 34.68 O HETATM 2671 O HOH 232 31.455 13.533 41.970 1.00 39.50 O HETATM 2672 O HOH 233 21.174 7.103 46.761 1.00 23.72 O HETATM 2673 O HOH 234 26.471 0.739 45.022 1.00 22.11 O HETATM 2674 O HOH 235 29.069 2.562 44.603 1.00 40.15 O HETATM 2675 O HOH 236 30.921 -0.919 36.513 1.00 44.24 O HETATM 2676 O HOH 237 30.098 2.733 29.619 1.00 39.50 O HETATM 2677 O HOH 238 16.761 15.101 -18.301 1.00 56.10 O HETATM 2678 O HOH 239 23.002 28.279 -15.960 1.00 57.70 O HETATM 2679 O HOH 240 21.209 27.085 -14.106 1.00 57.44 O HETATM 2680 O HOH 241 21.921 19.488 7.075 1.00 40.38 O HETATM 2681 O HOH 242 21.441 18.900 4.240 1.00 32.00 O HETATM 2682 O HOH 243 21.192 21.665 3.251 1.00 46.30 O HETATM 2683 O HOH 244 31.633 19.609 10.516 1.00 39.31 O HETATM 2684 O HOH 245 24.280 22.413 13.044 1.00 45.28 O HETATM 2685 O HOH 246 29.400 7.324 10.996 1.00 52.21 O HETATM 2686 O HOH 247 30.469 3.755 36.476 1.00 45.85 O HETATM 2687 O HOH 248 30.965 8.406 41.719 1.00 38.55 O HETATM 2688 O HOH 249 27.965 2.885 47.230 1.00 35.27 O HETATM 2689 O HOH 250 30.214 0.965 45.596 1.00 44.00 O HETATM 2690 O HOH 251 19.251 11.792 45.856 1.00 43.49 O HETATM 2691 O HOH 252 19.924 9.717 46.567 1.00 41.15 O HETATM 2692 O HOH 253 30.750 9.256 44.137 1.00 49.55 O HETATM 2693 O HOH 254 33.026 15.525 11.093 1.00 42.03 O HETATM 2694 O HOH 255 25.434 20.249 15.641 1.00 35.36 O HETATM 2695 O HOH 256 30.908 3.056 38.831 1.00 37.47 O HETATM 2696 O HOH 257 32.536 6.891 44.378 1.00 61.10 O HETATM 2697 O HOH 258 18.186 8.238 45.521 1.00 36.93 O HETATM 2698 O HOH 259 31.457 12.089 40.183 1.00 40.77 O HETATM 2699 O HOH 260 35.382 14.393 19.777 1.00 47.04 O HETATM 2700 O HOH 261 18.038 18.850 -23.836 1.00 53.67 O HETATM 2701 O HOH 262 25.086 22.555 -7.774 1.00 44.54 O HETATM 2702 O HOH 263 29.495 17.807 21.594 1.00 28.43 O HETATM 2703 O HOH 264 27.249 19.991 19.581 1.00 25.55 O HETATM 2704 O HOH 265 32.442 17.382 21.394 1.00 36.92 O HETATM 2705 O HOH 266 33.143 10.361 26.849 1.00 43.22 O HETATM 2706 O HOH 267 34.622 14.855 26.444 1.00 32.71 O HETATM 2707 O HOH 268 34.828 14.874 34.997 1.00 34.36 O HETATM 2708 O HOH 269 33.713 15.491 38.167 1.00 28.82 O HETATM 2709 O HOH 270 35.393 17.050 33.186 1.00 27.39 O HETATM 2710 O HOH 271 31.659 13.757 37.830 1.00 37.09 O HETATM 2711 O HOH 272 28.872 16.300 39.121 1.00 19.51 O HETATM 2712 O HOH 273 28.845 13.655 39.397 1.00 44.00 O HETATM 2713 O HOH 274 38.766 10.914 30.948 1.00 52.39 O HETATM 2714 O HOH 275 34.617 10.687 39.566 1.00 51.74 O HETATM 2715 O HOH 276 35.847 13.120 39.210 1.00 48.06 O HETATM 2716 O HOH 277 38.281 12.979 36.263 1.00 46.54 O HETATM 2717 O HOH 278 38.287 10.773 39.669 1.00 61.24 O HETATM 2718 O HOH 279 34.702 19.994 31.838 1.00 26.25 O HETATM 2719 O HOH 280 33.710 23.568 28.192 1.00 36.86 O HETATM 2720 O HOH 281 35.707 22.004 29.831 1.00 38.03 O HETATM 2721 O HOH 282 31.362 16.687 41.041 1.00 28.21 O HETATM 2722 O HOH 283 27.252 14.994 40.337 1.00 32.29 O HETATM 2723 O HOH 284 29.993 24.217 33.829 1.00 23.69 O HETATM 2724 O HOH 285 30.308 26.575 32.521 1.00 38.13 O HETATM 2725 O HOH 286 25.653 26.843 33.068 1.00 34.37 O HETATM 2726 O HOH 287 22.788 27.649 34.521 1.00 52.27 O HETATM 2727 O HOH 288 32.233 9.431 24.673 1.00 59.42 O HETATM 2728 O HOH 289 43.011 17.056 32.610 1.00 37.66 O HETATM 2729 O HOH 290 32.081 25.028 22.858 1.00 48.05 O HETATM 2730 O HOH 291 32.839 19.853 22.847 1.00 36.75 O HETATM 2731 O HOH 292 32.834 12.655 27.799 1.00 38.11 O HETATM 2732 O HOH 293 33.262 26.092 28.327 1.00 44.89 O HETATM 2733 O HOH 294 32.342 27.642 33.707 1.00 43.34 O HETATM 2734 O HOH 295 14.548 12.290 -21.684 1.00 53.50 O HETATM 2735 O HOH 296 7.620 8.310 -19.357 1.00 52.17 O HETATM 2736 O HOH 297 17.829 2.939 -17.693 1.00 37.33 O HETATM 2737 O HOH 298 18.215 5.799 -16.588 1.00 46.63 O HETATM 2738 O HOH 299 10.702 15.082 -13.168 1.00 48.41 O HETATM 2739 O HOH 300 10.122 14.729 -16.007 1.00 58.65 O HETATM 2740 O HOH 301 15.286 20.339 -7.418 1.00 36.12 O HETATM 2741 O HOH 302 16.088 22.529 -8.334 1.00 55.01 O HETATM 2742 O HOH 303 10.338 3.357 -10.261 1.00 53.14 O HETATM 2743 O HOH 304 10.009 19.060 -12.067 1.00 28.89 O HETATM 2744 O HOH 305 8.961 12.603 -10.129 1.00 43.04 O HETATM 2745 O HOH 306 7.255 11.920 -12.146 1.00 55.95 O HETATM 2746 O HOH 307 5.425 8.879 -10.741 1.00 52.47 O HETATM 2747 O HOH 308 13.254 6.135 -6.889 1.00 56.49 O HETATM 2748 O HOH 309 11.245 15.790 -4.021 1.00 32.19 O HETATM 2749 O HOH 310 8.545 15.868 -4.336 1.00 39.56 O HETATM 2750 O HOH 311 12.300 18.109 -5.292 1.00 33.28 O HETATM 2751 O HOH 312 5.651 15.867 -8.386 1.00 28.37 O HETATM 2752 O HOH 313 7.499 15.831 -1.823 1.00 29.32 O HETATM 2753 O HOH 314 5.843 11.286 -6.291 1.00 46.18 O HETATM 2754 O HOH 315 9.197 11.358 -5.533 1.00 43.67 O HETATM 2755 O HOH 316 7.570 13.014 -4.387 1.00 45.47 O HETATM 2756 O HOH 317 10.445 7.619 1.507 1.00 52.80 O HETATM 2757 O HOH 318 10.976 9.890 0.356 1.00 42.94 O HETATM 2758 O HOH 319 10.307 5.378 0.261 1.00 53.15 O HETATM 2759 O HOH 320 15.422 17.861 -0.423 1.00 34.71 O HETATM 2760 O HOH 321 13.050 18.920 -1.284 1.00 42.23 O HETATM 2761 O HOH 322 20.405 22.864 7.700 1.00 59.49 O HETATM 2762 O HOH 323 18.809 21.641 2.919 1.00 52.76 O HETATM 2763 O HOH 324 16.415 19.244 1.380 1.00 47.84 O HETATM 2764 O HOH 325 14.102 20.228 7.679 1.00 46.32 O HETATM 2765 O HOH 326 13.601 20.083 -4.073 1.00 51.94 O HETATM 2766 O HOH 327 17.857 19.260 9.764 1.00 30.19 O HETATM 2767 O HOH 328 15.630 9.219 8.979 1.00 51.32 O HETATM 2768 O HOH 329 16.545 22.861 9.624 1.00 52.05 O HETATM 2769 O HOH 330 18.587 20.365 11.925 1.00 35.86 O HETATM 2770 O HOH 331 11.020 19.027 14.724 1.00 45.90 O HETATM 2771 O HOH 332 16.051 23.131 12.179 1.00 50.60 O HETATM 2772 O HOH 333 14.928 24.246 6.229 1.00 51.80 O HETATM 2773 O HOH 334 16.153 20.976 15.845 1.00 30.05 O HETATM 2774 O HOH 335 17.323 21.809 13.819 1.00 48.74 O HETATM 2775 O HOH 336 17.227 21.873 18.042 1.00 32.62 O HETATM 2776 O HOH 337 16.133 22.503 20.720 1.00 40.19 O HETATM 2777 O HOH 338 11.860 16.085 18.885 1.00 22.32 O HETATM 2778 O HOH 339 17.818 24.262 22.023 1.00 50.50 O HETATM 2779 O HOH 340 14.617 24.066 18.643 1.00 46.64 O HETATM 2780 O HOH 341 14.632 20.951 22.597 1.00 30.08 O HETATM 2781 O HOH 342 20.153 21.852 18.634 1.00 37.29 O HETATM 2782 O HOH 343 15.666 25.552 23.131 1.00 58.27 O HETATM 2783 O HOH 344 13.239 12.198 17.812 1.00 50.24 O HETATM 2784 O HOH 345 10.516 18.033 17.131 1.00 49.14 O HETATM 2785 O HOH 346 20.816 19.170 19.922 1.00 33.61 O HETATM 2786 O HOH 347 20.120 24.151 19.724 1.00 45.89 O HETATM 2787 O HOH 348 23.681 22.261 19.376 1.00 37.52 O HETATM 2788 O HOH 349 24.589 21.983 21.845 1.00 34.96 O HETATM 2789 O HOH 350 19.410 22.237 26.354 1.00 28.86 O HETATM 2790 O HOH 351 22.358 22.969 25.495 1.00 42.32 O HETATM 2791 O HOH 352 20.700 22.744 28.773 1.00 29.65 O HETATM 2792 O HOH 353 23.104 23.072 27.988 1.00 37.31 O HETATM 2793 O HOH 354 28.363 26.709 28.654 1.00 38.41 O HETATM 2794 O HOH 355 22.551 27.081 26.485 1.00 48.02 O HETATM 2795 O HOH 356 26.606 24.595 27.574 1.00 33.30 O HETATM 2796 O HOH 357 18.085 21.316 39.584 1.00 20.31 O HETATM 2797 O HOH 358 18.863 23.584 38.034 1.00 32.93 O HETATM 2798 O HOH 359 16.201 26.171 32.640 1.00 30.78 O HETATM 2799 O HOH 360 19.808 25.233 29.943 1.00 33.10 O HETATM 2800 O HOH 361 19.279 24.960 33.496 1.00 33.22 O HETATM 2801 O HOH 362 20.875 24.313 36.364 1.00 48.48 O HETATM 2802 O HOH 363 20.869 25.728 40.332 1.00 51.71 O HETATM 2803 O HOH 364 23.470 23.226 42.573 1.00 24.98 O HETATM 2804 O HOH 365 17.726 17.618 -1.798 1.00 36.93 O HETATM 2805 O HOH 366 25.646 21.625 38.730 1.00 17.13 O HETATM 2806 O HOH 367 24.344 21.209 36.184 1.00 15.62 O HETATM 2807 O HOH 368 27.940 22.418 37.395 1.00 17.25 O HETATM 2808 O HOH 369 25.130 23.705 40.361 1.00 25.18 O HETATM 2809 O HOH 370 27.902 24.494 35.865 1.00 28.95 O HETATM 2810 O HOH 371 24.893 23.643 35.113 1.00 28.77 O HETATM 2811 O HOH 372 20.832 24.245 42.300 1.00 32.80 O HETATM 2812 O HOH 373 19.893 27.256 38.536 1.00 54.85 O HETATM 2813 O HOH 374 20.101 20.318 45.734 1.00 23.53 O HETATM 2814 O HOH 375 22.099 22.347 46.547 1.00 34.68 O HETATM 2815 O HOH 376 14.382 20.474 41.970 1.00 39.50 O HETATM 2816 O HOH 377 25.090 14.786 46.761 1.00 23.72 O HETATM 2817 O HOH 378 27.954 22.555 45.022 1.00 22.11 O HETATM 2818 O HOH 379 25.075 23.893 44.603 1.00 40.15 O HETATM 2819 O HOH 380 27.164 27.238 36.513 1.00 44.24 O HETATM 2820 O HOH 381 24.413 24.699 29.619 1.00 39.50 O HETATM 2821 O HOH 382 20.371 6.965 -18.301 1.00 56.10 O HETATM 2822 O HOH 383 5.837 5.781 -15.960 1.00 57.70 O HETATM 2823 O HOH 384 7.768 4.825 -14.106 1.00 57.44 O HETATM 2824 O HOH 385 13.992 9.240 7.075 1.00 40.38 O HETATM 2825 O HOH 386 14.740 9.119 4.240 1.00 32.00 O HETATM 2826 O HOH 387 12.470 7.521 3.251 1.00 46.30 O HETATM 2827 O HOH 388 9.030 17.591 10.516 1.00 39.31 O HETATM 2828 O HOH 389 10.278 9.821 13.044 1.00 45.28 O HETATM 2829 O HOH 390 20.787 21.799 10.996 1.00 52.21 O HETATM 2830 O HOH 391 23.343 24.509 36.476 1.00 45.85 O HETATM 2831 O HOH 392 19.067 22.613 41.719 1.00 38.55 O HETATM 2832 O HOH 393 25.348 22.776 47.230 1.00 35.27 O HETATM 2833 O HOH 394 25.886 25.684 45.596 1.00 44.00 O HETATM 2834 O HOH 395 21.991 10.776 45.856 1.00 43.49 O HETATM 2835 O HOH 396 23.452 12.396 46.567 1.00 41.15 O HETATM 2836 O HOH 397 18.438 22.002 44.137 1.00 49.55 O HETATM 2837 O HOH 398 11.871 20.838 11.093 1.00 42.03 O HETATM 2838 O HOH 399 11.576 11.902 15.641 1.00 35.36 O HETATM 2839 O HOH 400 23.729 25.239 38.831 1.00 37.47 O HETATM 2840 O HOH 401 19.594 24.732 44.378 1.00 61.10 O HETATM 2841 O HOH 402 25.601 11.631 45.521 1.00 36.93 O HETATM 2842 O HOH 403 15.631 21.198 40.183 1.00 40.77 O HETATM 2843 O HOH 404 11.674 23.445 19.777 1.00 47.04 O HETATM 2844 O HOH 405 16.486 6.196 -23.836 1.00 53.67 O HETATM 2845 O HOH 406 9.752 10.447 -7.774 1.00 44.54 O HETATM 2846 O HOH 407 11.660 16.640 21.594 1.00 28.43 O HETATM 2847 O HOH 408 10.892 13.603 19.581 1.00 25.55 O HETATM 2848 O HOH 409 10.554 19.405 21.394 1.00 36.92 O HETATM 2849 O HOH 410 16.285 23.522 26.849 1.00 43.22 O HETATM 2850 O HOH 411 11.653 22.556 26.444 1.00 32.71 O HETATM 2851 O HOH 412 11.534 22.725 34.997 1.00 34.36 O HETATM 2852 O HOH 413 11.557 21.451 38.167 1.00 28.82 O HETATM 2853 O HOH 414 9.367 22.126 33.186 1.00 27.39 O HETATM 2854 O HOH 415 14.086 20.539 37.830 1.00 37.09 O HETATM 2855 O HOH 416 13.277 16.854 39.121 1.00 19.51 O HETATM 2856 O HOH 417 15.581 18.154 39.397 1.00 44.00 O HETATM 2857 O HOH 418 12.995 28.115 30.948 1.00 52.39 O HETATM 2858 O HOH 419 15.265 24.636 39.566 1.00 51.74 O HETATM 2859 O HOH 420 12.544 24.484 39.210 1.00 48.06 O HETATM 2860 O HOH 421 11.448 26.663 36.263 1.00 46.54 O HETATM 2861 O HOH 422 13.356 27.771 39.669 1.00 61.24 O HETATM 2862 O HOH 423 7.162 20.056 31.838 1.00 26.25 O HETATM 2863 O HOH 424 4.563 17.410 28.192 1.00 36.86 O HETATM 2864 O HOH 425 4.920 19.921 29.831 1.00 38.03 O HETATM 2865 O HOH 426 11.696 18.817 41.041 1.00 28.21 O HETATM 2866 O HOH 427 15.218 16.104 40.337 1.00 32.29 O HETATM 2867 O HOH 428 5.860 13.866 33.829 1.00 23.69 O HETATM 2868 O HOH 429 3.660 12.960 32.521 1.00 38.13 O HETATM 2869 O HOH 430 5.755 8.795 33.068 1.00 34.37 O HETATM 2870 O HOH 431 6.490 5.911 34.521 1.00 52.27 O HETATM 2871 O HOH 432 17.545 23.199 24.673 1.00 59.42 O HETATM 2872 O HOH 433 5.552 28.721 32.610 1.00 37.66 O HETATM 2873 O HOH 434 4.114 15.269 22.858 1.00 48.05 O HETATM 2874 O HOH 435 8.216 18.513 22.847 1.00 36.75 O HETATM 2875 O HOH 436 14.452 22.108 27.799 1.00 38.11 O HETATM 2876 O HOH 437 2.601 15.760 28.327 1.00 44.89 O HETATM 2877 O HOH 438 1.719 14.188 33.707 1.00 43.34 O HETATM 2878 C ACE A 439 11.674 -0.285 28.785 1.00 0.17 C HETATM 2879 O ACE A 439 11.905 0.677 28.016 1.00 -0.40 O HETATM 2880 CH3 ACE A 439 10.275 -0.794 28.942 1.00 0.03 C HETATM 2881 H1 ACE A 439 10.268 -1.634 29.652 1.00 0.05 H HETATM 2882 H2 ACE A 439 9.897 -1.135 27.967 1.00 0.05 H HETATM 2883 H3 ACE A 439 9.632 0.013 29.323 1.00 0.05 H HETATM 2884 N ACE A 439 12.631 -0.899 29.487 1.00 -0.27 N HETATM 2885 CA ACE A 439 13.997 -0.423 29.356 1.00 0.12 C HETATM 2886 C ACE A 439 15.200 -1.051 30.044 1.00 0.20 C HETATM 2887 O ACE A 439 15.133 -2.044 30.785 1.00 -0.39 O HETATM 2888 N ACE A 439 16.332 -0.424 29.752 1.00 -0.26 N HETATM 2889 CA ACE A 439 17.639 -0.797 30.279 1.00 0.13 C HETATM 2890 CB ACE A 439 18.688 0.196 29.762 1.00 -0.02 C HETATM 2891 H9 ACE A 439 19.678 -0.079 30.155 1.00 0.03 H HETATM 2892 H10 ACE A 439 18.429 1.211 30.097 1.00 0.03 H HETATM 2893 H11 ACE A 439 18.709 0.167 28.663 1.00 0.03 H HETATM 2894 C ACE A 439 18.026 -2.217 29.871 1.00 0.20 C HETATM 2895 O ACE A 439 18.611 -2.982 30.647 1.00 -0.39 O HETATM 2896 N ACE A 439 17.699 -2.577 28.640 1.00 -0.26 N HETATM 2897 CA ACE A 439 18.061 -3.892 28.159 1.00 0.14 C HETATM 2898 C ACE A 439 17.104 -4.987 28.618 1.00 0.20 C HETATM 2899 O ACE A 439 17.531 -6.020 29.111 1.00 -0.39 O HETATM 2900 N ACE A 439 15.813 -4.736 28.474 1.00 -0.26 N HETATM 2901 CA ACE A 439 14.782 -5.702 28.834 1.00 0.13 C HETATM 2902 C ACE A 439 14.875 -6.180 30.276 1.00 0.20 C HETATM 2903 O ACE A 439 14.832 -7.381 30.553 1.00 -0.39 O HETATM 2904 N ACE A 439 15.022 -5.237 31.196 1.00 -0.26 N HETATM 2905 CA ACE A 439 15.098 -5.566 32.611 1.00 0.13 C HETATM 2906 CB ACE A 439 14.984 -4.296 33.406 1.00 -0.02 C HETATM 2907 H24 ACE A 439 15.040 -4.529 34.480 1.00 0.03 H HETATM 2908 H25 ACE A 439 14.022 -3.811 33.186 1.00 0.03 H HETATM 2909 H26 ACE A 439 15.807 -3.618 33.135 1.00 0.03 H HETATM 2910 C ACE A 439 16.362 -6.340 33.008 1.00 0.20 C HETATM 2911 O ACE A 439 16.387 -7.044 34.027 1.00 -0.39 O HETATM 2912 N ACE A 439 17.418 -6.202 32.216 1.00 -0.26 N HETATM 2913 CA ACE A 439 18.673 -6.893 32.489 1.00 0.13 C HETATM 2914 CB ACE A 439 18.480 -8.408 32.369 1.00 -0.01 C HETATM 2915 CG ACE A 439 18.169 -8.847 30.969 1.00 -0.02 C HETATM 2916 CD ACE A 439 19.397 -8.762 30.070 1.00 0.06 C HETATM 2917 NE ACE A 439 19.715 -7.408 29.607 1.00 -0.27 N HETATM 2918 CZ ACE A 439 20.121 -7.134 28.370 1.00 0.29 C HETATM 2919 NH1 ACE A 439 20.248 -8.118 27.481 1.00 -0.28 N HETATM 2920 H36 ACE A 439 20.562 -7.909 26.523 1.00 0.26 H HETATM 2921 H37 ACE A 439 20.032 -9.088 27.752 1.00 0.26 H HETATM 2922 NH2 ACE A 439 20.409 -5.891 28.015 1.00 -0.28 N HETATM 2923 H38 ACE A 439 20.313 -5.125 28.697 1.00 0.26 H HETATM 2924 H39 ACE A 439 20.729 -5.690 27.057 1.00 0.26 H HETATM 2925 H35 ACE A 439 19.619 -6.629 30.274 1.00 0.26 H HETATM 2926 H33 ACE A 439 19.222 -9.395 29.188 1.00 0.07 H HETATM 2927 H34 ACE A 439 20.262 -9.146 30.631 1.00 0.07 H HETATM 2928 H31 ACE A 439 17.380 -8.200 30.558 1.00 0.03 H HETATM 2929 H32 ACE A 439 17.814 -9.888 30.991 1.00 0.03 H HETATM 2930 H29 ACE A 439 17.649 -8.709 33.024 1.00 0.03 H HETATM 2931 H30 ACE A 439 19.404 -8.907 32.696 1.00 0.03 H HETATM 2932 C ACE A 439 19.313 -6.582 33.833 1.00 0.20 C HETATM 2933 O ACE A 439 19.994 -7.423 34.421 1.00 -0.39 O HETATM 2934 N ACE A 439 19.100 -5.379 34.342 1.00 -0.26 N HETATM 2935 CA ACE A 439 19.731 -5.018 35.624 1.00 0.14 C HETATM 2936 C ACE A 439 21.156 -4.636 35.329 1.00 0.21 C HETATM 2937 O ACE A 439 21.412 -3.743 34.536 1.00 -0.39 O HETATM 2938 N ACE A 439 22.091 -5.298 36.003 1.00 -0.26 N HETATM 2939 CA ACE A 439 23.494 -5.122 35.778 1.00 0.13 C HETATM 2940 CB ACE A 439 24.284 -5.994 36.755 1.00 -0.01 C HETATM 2941 CG ACE A 439 24.175 -7.428 36.459 1.00 -0.02 C HETATM 2942 CD ACE A 439 24.743 -8.207 37.631 1.00 0.06 C HETATM 2943 NE ACE A 439 24.581 -9.603 37.325 1.00 -0.27 N HETATM 2944 CZ ACE A 439 25.258 -10.189 36.352 1.00 0.29 C HETATM 2945 NH1 ACE A 439 26.139 -9.485 35.658 1.00 -0.28 N HETATM 2946 H56 ACE A 439 26.672 -9.932 34.898 1.00 0.26 H HETATM 2947 H57 ACE A 439 26.292 -8.490 35.878 1.00 0.26 H HETATM 2948 NH2 ACE A 439 24.987 -11.432 36.027 1.00 -0.28 N HETATM 2949 H58 ACE A 439 24.300 -11.969 36.575 1.00 0.26 H HETATM 2950 H59 ACE A 439 25.462 -11.870 35.224 1.00 0.26 H HETATM 2951 H55 ACE A 439 23.918 -10.163 37.880 1.00 0.26 H HETATM 2952 H53 ACE A 439 24.196 -7.956 38.552 1.00 0.07 H HETATM 2953 H54 ACE A 439 25.809 -7.970 37.761 1.00 0.07 H HETATM 2954 H51 ACE A 439 24.744 -7.663 35.547 1.00 0.03 H HETATM 2955 H52 ACE A 439 23.119 -7.697 36.312 1.00 0.03 H HETATM 2956 H49 ACE A 439 23.903 -5.816 37.771 1.00 0.03 H HETATM 2957 H50 ACE A 439 25.344 -5.705 36.705 1.00 0.03 H HETATM 2958 C ACE A 439 23.985 -3.711 35.873 1.00 0.20 C HETATM 2959 O ACE A 439 24.856 -3.361 35.124 1.00 -0.39 O HETATM 2960 N ACE A 439 23.407 -2.934 36.783 1.00 -0.26 N HETATM 2961 CA ACE A 439 23.900 -1.578 36.951 1.00 0.13 C HETATM 2962 C ACE A 439 23.601 -0.717 35.747 1.00 0.20 C HETATM 2963 O ACE A 439 24.142 0.383 35.655 1.00 -0.39 O HETATM 2964 N ACE A 439 22.747 -1.186 34.844 1.00 -0.26 N HETATM 2965 CA ACE A 439 22.462 -0.435 33.611 1.00 0.14 C HETATM 2966 CB ACE A 439 20.960 -0.187 33.420 1.00 0.00 C HETATM 2967 CG ACE A 439 20.354 0.791 34.410 1.00 -0.04 C HETATM 2968 CD1 ACE A 439 19.504 0.512 35.449 1.00 0.02 C HETATM 2969 NE1 ACE A 439 19.122 1.676 36.073 1.00 -0.29 N HETATM 2970 CE2 ACE A 439 19.734 2.730 35.424 1.00 0.06 C HETATM 2971 CZ2 ACE A 439 19.650 4.107 35.666 1.00 -0.04 C HETATM 2972 CH2 ACE A 439 20.382 4.935 34.850 1.00 -0.08 C HETATM 2973 CZ3 ACE A 439 21.174 4.444 33.805 1.00 -0.08 C HETATM 2974 CE3 ACE A 439 21.237 3.075 33.563 1.00 -0.07 C HETATM 2975 CD2 ACE A 439 20.504 2.200 34.384 1.00 -0.02 C HETATM 2976 H75 ACE A 439 21.843 2.688 32.752 1.00 0.05 H HETATM 2977 H74 ACE A 439 21.738 5.130 33.184 1.00 0.05 H HETATM 2978 H73 ACE A 439 20.345 6.005 35.021 1.00 0.05 H HETATM 2979 H72 ACE A 439 19.033 4.503 36.464 1.00 0.05 H HETATM 2980 H71 ACE A 439 18.490 1.749 36.883 1.00 0.22 H HETATM 2981 H70 ACE A 439 19.179 -0.486 35.738 1.00 0.08 H HETATM 2982 H68 ACE A 439 20.437 -1.149 33.523 1.00 0.04 H HETATM 2983 H69 ACE A 439 20.803 0.209 32.406 1.00 0.04 H HETATM 2984 C ACE A 439 23.000 -1.140 32.376 1.00 0.21 C HETATM 2985 O ACE A 439 22.790 -0.682 31.244 1.00 -0.39 O HETATM 2986 N ACE A 439 23.744 -2.227 32.572 1.00 -0.26 N HETATM 2987 CA ACE A 439 24.253 -2.940 31.407 1.00 0.13 C HETATM 2988 CB ACE A 439 25.034 -4.168 31.867 1.00 -0.02 C HETATM 2989 H78 ACE A 439 25.419 -4.708 30.989 1.00 0.03 H HETATM 2990 H79 ACE A 439 24.370 -4.830 32.442 1.00 0.03 H HETATM 2991 H80 ACE A 439 25.875 -3.851 32.501 1.00 0.03 H HETATM 2992 C ACE A 439 25.126 -2.074 30.501 1.00 0.20 C HETATM 2993 O ACE A 439 25.078 -2.221 29.267 1.00 -0.39 O HETATM 2994 N ACE A 439 25.884 -1.142 31.084 1.00 -0.26 N HETATM 2995 CA ACE A 439 26.759 -0.275 30.317 1.00 0.14 C HETATM 2996 CB ACE A 439 27.586 0.645 31.239 1.00 0.00 C HETATM 2997 CG ACE A 439 26.725 1.588 32.059 1.00 -0.04 C HETATM 2998 CD1 ACE A 439 26.177 1.335 33.256 1.00 0.02 C HETATM 2999 NE1 ACE A 439 25.402 2.400 33.668 1.00 -0.29 N HETATM 3000 CE2 ACE A 439 25.459 3.371 32.706 1.00 0.06 C HETATM 3001 CZ2 ACE A 439 24.842 4.628 32.664 1.00 -0.04 C HETATM 3002 CH2 ACE A 439 25.090 5.406 31.550 1.00 -0.08 C HETATM 3003 CZ3 ACE A 439 25.904 4.977 30.525 1.00 -0.08 C HETATM 3004 CE3 ACE A 439 26.519 3.714 30.561 1.00 -0.07 C HETATM 3005 CD2 ACE A 439 26.285 2.900 31.676 1.00 -0.02 C HETATM 3006 H90 ACE A 439 27.156 3.380 29.750 1.00 0.05 H HETATM 3007 H89 ACE A 439 26.073 5.627 29.674 1.00 0.05 H HETATM 3008 H88 ACE A 439 24.630 6.385 31.480 1.00 0.05 H HETATM 3009 H87 ACE A 439 24.201 4.973 33.467 1.00 0.05 H HETATM 3010 H86 ACE A 439 24.871 2.454 34.549 1.00 0.22 H HETATM 3011 H85 ACE A 439 26.323 0.417 33.824 1.00 0.08 H HETATM 3012 H83 ACE A 439 28.268 1.244 30.617 1.00 0.04 H HETATM 3013 H84 ACE A 439 28.172 0.018 31.927 1.00 0.04 H HETATM 3014 C ACE A 439 25.913 0.577 29.346 1.00 0.21 C HETATM 3015 O ACE A 439 26.347 0.870 28.231 1.00 -0.39 O HETATM 3016 N ACE A 439 24.740 1.020 29.790 1.00 -0.26 N HETATM 3017 CA ACE A 439 23.915 1.866 28.926 1.00 0.13 C HETATM 3018 CB ACE A 439 22.883 2.647 29.756 1.00 -0.01 C HETATM 3019 CG ACE A 439 21.857 3.489 28.971 1.00 -0.04 C HETATM 3020 CD1 ACE A 439 22.559 4.585 28.204 1.00 -0.06 C HETATM 3021 H96 ACE A 439 21.817 5.178 27.649 1.00 0.02 H HETATM 3022 H97 ACE A 439 23.274 4.138 27.497 1.00 0.02 H HETATM 3023 H98 ACE A 439 23.098 5.237 28.907 1.00 0.02 H HETATM 3024 CD2 ACE A 439 20.886 4.105 29.938 1.00 -0.06 C HETATM 3025 H99 ACE A 439 20.373 3.310 30.499 1.00 0.02 H HETATM 3026 H100 ACE A 439 20.145 4.700 29.384 1.00 0.02 H HETATM 3027 H101 ACE A 439 21.429 4.756 30.639 1.00 0.02 H HETATM 3028 H95 ACE A 439 21.315 2.841 28.267 1.00 0.03 H HETATM 3029 H93 ACE A 439 23.436 3.329 30.419 1.00 0.03 H HETATM 3030 H94 ACE A 439 22.323 1.919 30.362 1.00 0.03 H HETATM 3031 C ACE A 439 23.265 1.011 27.847 1.00 0.20 C HETATM 3032 O ACE A 439 23.224 1.429 26.702 1.00 -0.39 O HETATM 3033 N ACE A 439 22.775 -0.180 28.199 1.00 -0.26 N HETATM 3034 CA ACE A 439 22.190 -1.046 27.196 1.00 0.14 C HETATM 3035 C ACE A 439 23.272 -1.329 26.124 1.00 0.20 C HETATM 3036 O ACE A 439 22.963 -1.318 24.916 1.00 -0.39 O HETATM 3037 N ACE A 439 24.514 -1.568 26.533 1.00 -0.26 N HETATM 3038 CA ACE A 439 25.627 -1.857 25.614 1.00 0.13 C HETATM 3039 CB ACE A 439 26.868 -2.302 26.401 1.00 -0.02 C HETATM 3040 H108 ACE A 439 27.690 -2.514 25.701 1.00 0.03 H HETATM 3041 H109 ACE A 439 26.632 -3.210 26.975 1.00 0.03 H HETATM 3042 H110 ACE A 439 27.172 -1.501 27.091 1.00 0.03 H HETATM 3043 C ACE A 439 25.987 -0.672 24.717 1.00 0.20 C HETATM 3044 O ACE A 439 26.511 -0.844 23.614 1.00 -0.39 O HETATM 3045 N ACE A 439 25.723 0.544 25.192 1.00 -0.27 N HETATM 3046 CA ACE A 439 26.017 1.743 24.400 1.00 0.09 C HETATM 3047 CB ACE A 439 26.006 2.985 25.314 1.00 -0.03 C HETATM 3048 H113 ACE A 439 26.227 3.882 24.717 1.00 0.03 H HETATM 3049 H114 ACE A 439 26.769 2.870 26.098 1.00 0.03 H HETATM 3050 H115 ACE A 439 25.015 3.089 25.779 1.00 0.03 H HETATM 3051 C ACE A 439 24.995 1.932 23.278 1.00 0.06 C HETATM 3052 O ACE A 439 25.355 2.570 22.256 1.00 -0.57 O HETATM 3053 OXT ACE A 439 23.843 1.460 23.410 1.00 -0.57 O HETATM 3054 H112 ACE A 439 27.016 1.634 23.953 1.00 0.07 H HETATM 3055 H111 ACE A 439 25.319 0.641 26.102 1.00 0.19 H HETATM 3056 H107 ACE A 439 25.314 -2.687 24.964 1.00 0.08 H HETATM 3057 H106 ACE A 439 24.702 -1.551 27.515 1.00 0.19 H HETATM 3058 CB ACE A 439 21.675 -2.319 27.874 1.00 0.04 C HETATM 3059 SG ACE A 439 21.216 -3.669 26.732 1.00 -0.09 S HETATM 3060 SG ACE A 439 19.502 -2.991 25.840 1.00 -0.09 S HETATM 3061 CB ACE A 439 18.128 -3.876 26.638 1.00 0.04 C HETATM 3062 H14 ACE A 439 17.195 -3.420 26.276 1.00 0.04 H HETATM 3063 H15 ACE A 439 18.178 -4.923 26.304 1.00 0.04 H HETATM 3064 H104 ACE A 439 20.786 -2.055 28.465 1.00 0.04 H HETATM 3065 H105 ACE A 439 22.464 -2.692 28.544 1.00 0.04 H HETATM 3066 H103 ACE A 439 21.341 -0.536 26.717 1.00 0.08 H HETATM 3067 H102 ACE A 439 22.812 -0.474 29.154 1.00 0.19 H HETATM 3068 H92 ACE A 439 24.570 2.598 28.431 1.00 0.08 H HETATM 3069 H91 ACE A 439 24.424 0.777 30.707 1.00 0.19 H HETATM 3070 H82 ACE A 439 27.451 -0.900 29.734 1.00 0.08 H HETATM 3071 H81 ACE A 439 25.848 -1.038 32.078 1.00 0.19 H HETATM 3072 H77 ACE A 439 23.389 -3.278 30.815 1.00 0.08 H HETATM 3073 H76 ACE A 439 23.949 -2.547 33.497 1.00 0.19 H HETATM 3074 H67 ACE A 439 22.963 0.541 33.695 1.00 0.08 H HETATM 3075 H66 ACE A 439 22.291 -2.062 35.004 1.00 0.19 H HETATM 3076 CB ACE A 439 23.358 -0.954 38.261 1.00 -0.00 C HETATM 3077 CG ACE A 439 21.876 -0.652 38.323 1.00 0.00 C HETATM 3078 CD ACE A 439 20.996 -1.816 38.786 1.00 0.04 C HETATM 3079 OE1 ACE A 439 21.407 -2.982 38.584 1.00 -0.57 O HETATM 3080 OE2 ACE A 439 19.933 -1.498 39.310 1.00 -0.57 O HETATM 3081 H64 ACE A 439 21.546 -0.355 37.317 1.00 0.04 H HETATM 3082 H65 ACE A 439 21.728 0.186 39.020 1.00 0.04 H HETATM 3083 H62 ACE A 439 23.895 -0.008 38.424 1.00 0.03 H HETATM 3084 H63 ACE A 439 23.588 -1.652 39.080 1.00 0.03 H HETATM 3085 H61 ACE A 439 24.994 -1.636 37.044 1.00 0.08 H HETATM 3086 H60 ACE A 439 22.650 -3.275 37.340 1.00 0.19 H HETATM 3087 H48 ACE A 439 23.704 -5.471 34.756 1.00 0.08 H HETATM 3088 H47 ACE A 439 21.800 -5.951 36.702 1.00 0.19 H HETATM 3089 CB ACE A 439 18.970 -3.888 36.284 1.00 0.04 C HETATM 3090 CG ACE A 439 17.655 -4.321 36.854 1.00 0.06 C HETATM 3091 ND1 ACE A 439 16.650 -3.445 37.187 1.00 -0.26 N HETATM 3092 CE1 ACE A 439 15.595 -4.134 37.608 1.00 0.09 C HETATM 3093 NE2 ACE A 439 15.894 -5.419 37.562 1.00 -0.34 N HETATM 3094 CD2 ACE A 439 17.178 -5.567 37.104 1.00 -0.03 C HETATM 3095 H45 ACE A 439 17.713 -6.505 36.967 1.00 0.03 H HETATM 3096 H46 ACE A 439 14.646 -3.711 37.935 1.00 0.11 H HETATM 3097 H44 ACE A 439 16.706 -2.419 37.121 1.00 0.24 H HETATM 3098 H42 ACE A 439 18.786 -3.105 35.534 1.00 0.05 H HETATM 3099 H43 ACE A 439 19.587 -3.479 37.098 1.00 0.05 H HETATM 3100 H41 ACE A 439 19.721 -5.888 36.297 1.00 0.08 H HETATM 3101 H40 ACE A 439 18.518 -4.723 33.862 1.00 0.19 H HETATM 3102 H28 ACE A 439 19.385 -6.577 31.712 1.00 0.08 H HETATM 3103 H27 ACE A 439 17.352 -5.610 31.413 1.00 0.19 H HETATM 3104 H23 ACE A 439 14.235 -6.204 32.852 1.00 0.08 H HETATM 3105 H22 ACE A 439 15.082 -4.280 30.912 1.00 0.19 H HETATM 3106 CB ACE A 439 13.397 -5.090 28.574 1.00 -0.00 C HETATM 3107 CG ACE A 439 13.060 -4.844 27.093 1.00 0.00 C HETATM 3108 CD ACE A 439 13.663 -3.568 26.500 1.00 0.04 C HETATM 3109 OE1 ACE A 439 14.422 -2.859 27.182 1.00 -0.57 O HETATM 3110 OE2 ACE A 439 13.367 -3.264 25.323 1.00 -0.57 O HETATM 3111 H20 ACE A 439 11.966 -4.782 26.997 1.00 0.04 H HETATM 3112 H21 ACE A 439 13.431 -5.700 26.511 1.00 0.04 H HETATM 3113 H18 ACE A 439 13.347 -4.125 29.100 1.00 0.03 H HETATM 3114 H19 ACE A 439 12.640 -5.773 28.987 1.00 0.03 H HETATM 3115 H17 ACE A 439 14.903 -6.580 28.183 1.00 0.08 H HETATM 3116 H16 ACE A 439 15.534 -3.850 28.104 1.00 0.19 H HETATM 3117 H13 ACE A 439 19.060 -4.132 28.552 1.00 0.08 H HETATM 3118 H12 ACE A 439 17.204 -1.943 28.046 1.00 0.19 H HETATM 3119 H8 ACE A 439 17.605 -0.745 31.377 1.00 0.08 H HETATM 3120 H7 ACE A 439 16.286 0.357 29.129 1.00 0.19 H HETATM 3121 H5 ACE A 439 13.978 0.624 29.692 1.00 0.08 H HETATM 3122 H6 ACE A 439 14.220 -0.459 28.279 1.00 0.08 H HETATM 3123 H4 ACE A 439 12.412 -1.668 30.088 1.00 0.19 H CONECT 1 2 4 5 6 CONECT 2 1 3 7 CONECT 4 1 CONECT 5 1 CONECT 6 1 CONECT 7 2 8 30 CONECT 814 815 817 818 819 CONECT 815 814 816 820 CONECT 817 814 CONECT 818 814 CONECT 819 814 CONECT 820 815 821 843 CONECT 1627 1628 1630 1631 1632 CONECT 1628 1627 1629 1633 CONECT 1630 1627 CONECT 1631 1627 CONECT 1632 1627 CONECT 1633 1628 1634 1656 CONECT 2878 2879 2880 2884 CONECT 2879 2878 CONECT 2880 2878 2881 2882 2883 CONECT 2881 2880 CONECT 2882 2880 CONECT 2883 2880 CONECT 2884 2878 2885 3123 CONECT 2885 2884 2886 3121 3122 CONECT 2886 2885 2887 2888 CONECT 2887 2886 CONECT 2888 2886 2889 3120 CONECT 2889 2888 2890 2894 3119 CONECT 2890 2889 2891 2892 2893 CONECT 2891 2890 CONECT 2892 2890 CONECT 2893 2890 CONECT 2894 2889 2895 2896 CONECT 2895 2894 CONECT 2896 2894 2897 3118 CONECT 2897 2896 2898 3061 3117 CONECT 2898 2897 2899 2900 CONECT 2899 2898 CONECT 2900 2898 2901 3116 CONECT 2901 2900 2902 3106 3115 CONECT 2902 2901 2903 2904 CONECT 2903 2902 CONECT 2904 2902 2905 3105 CONECT 2905 2904 2906 2910 3104 CONECT 2906 2905 2907 2908 2909 CONECT 2907 2906 CONECT 2908 2906 CONECT 2909 2906 CONECT 2910 2905 2911 2912 CONECT 2911 2910 CONECT 2912 2910 2913 3103 CONECT 2913 2912 2914 2932 3102 CONECT 2914 2913 2915 2930 2931 CONECT 2915 2914 2916 2928 2929 CONECT 2916 2915 2917 2926 2927 CONECT 2917 2916 2918 2925 CONECT 2918 2917 2919 2922 CONECT 2919 2918 2920 2921 CONECT 2920 2919 CONECT 2921 2919 CONECT 2922 2918 2923 2924 CONECT 2923 2922 CONECT 2924 2922 CONECT 2925 2917 CONECT 2926 2916 CONECT 2927 2916 CONECT 2928 2915 CONECT 2929 2915 CONECT 2930 2914 CONECT 2931 2914 CONECT 2932 2913 2933 2934 CONECT 2933 2932 CONECT 2934 2932 2935 3101 CONECT 2935 2934 2936 3089 3100 CONECT 2936 2935 2937 2938 CONECT 2937 2936 CONECT 2938 2936 2939 3088 CONECT 2939 2938 2940 2958 3087 CONECT 2940 2939 2941 2956 2957 CONECT 2941 2940 2942 2954 2955 CONECT 2942 2941 2943 2952 2953 CONECT 2943 2942 2944 2951 CONECT 2944 2943 2945 2948 CONECT 2945 2944 2946 2947 CONECT 2946 2945 CONECT 2947 2945 CONECT 2948 2944 2949 2950 CONECT 2949 2948 CONECT 2950 2948 CONECT 2951 2943 CONECT 2952 2942 CONECT 2953 2942 CONECT 2954 2941 CONECT 2955 2941 CONECT 2956 2940 CONECT 2957 2940 CONECT 2958 2939 2959 2960 CONECT 2959 2958 CONECT 2960 2958 2961 3086 CONECT 2961 2960 2962 3076 3085 CONECT 2962 2961 2963 2964 CONECT 2963 2962 CONECT 2964 2962 2965 3075 CONECT 2965 2964 2966 2984 3074 CONECT 2966 2965 2967 2982 2983 CONECT 2967 2966 2968 2975 CONECT 2968 2967 2969 2981 CONECT 2969 2968 2970 2980 CONECT 2970 2969 2971 2975 CONECT 2971 2970 2972 2979 CONECT 2972 2971 2973 2978 CONECT 2973 2972 2974 2977 CONECT 2974 2973 2975 2976 CONECT 2975 2967 2970 2974 CONECT 2976 2974 CONECT 2977 2973 CONECT 2978 2972 CONECT 2979 2971 CONECT 2980 2969 CONECT 2981 2968 CONECT 2982 2966 CONECT 2983 2966 CONECT 2984 2965 2985 2986 CONECT 2985 2984 CONECT 2986 2984 2987 3073 CONECT 2987 2986 2988 2992 3072 CONECT 2988 2987 2989 2990 2991 CONECT 2989 2988 CONECT 2990 2988 CONECT 2991 2988 CONECT 2992 2987 2993 2994 CONECT 2993 2992 CONECT 2994 2992 2995 3071 CONECT 2995 2994 2996 3014 3070 CONECT 2996 2995 2997 3012 3013 CONECT 2997 2996 2998 3005 CONECT 2998 2997 2999 3011 CONECT 2999 2998 3000 3010 CONECT 3000 2999 3001 3005 CONECT 3001 3000 3002 3009 CONECT 3002 3001 3003 3008 CONECT 3003 3002 3004 3007 CONECT 3004 3003 3005 3006 CONECT 3005 2997 3000 3004 CONECT 3006 3004 CONECT 3007 3003 CONECT 3008 3002 CONECT 3009 3001 CONECT 3010 2999 CONECT 3011 2998 CONECT 3012 2996 CONECT 3013 2996 CONECT 3014 2995 3015 3016 CONECT 3015 3014 CONECT 3016 3014 3017 3069 CONECT 3017 3016 3018 3031 3068 CONECT 3018 3017 3019 3029 3030 CONECT 3019 3018 3020 3024 3028 CONECT 3020 3019 3021 3022 3023 CONECT 3021 3020 CONECT 3022 3020 CONECT 3023 3020 CONECT 3024 3019 3025 3026 3027 CONECT 3025 3024 CONECT 3026 3024 CONECT 3027 3024 CONECT 3028 3019 CONECT 3029 3018 CONECT 3030 3018 CONECT 3031 3017 3032 3033 CONECT 3032 3031 CONECT 3033 3031 3034 3067 CONECT 3034 3033 3035 3058 3066 CONECT 3035 3034 3036 3037 CONECT 3036 3035 CONECT 3037 3035 3038 3057 CONECT 3038 3037 3039 3043 3056 CONECT 3039 3038 3040 3041 3042 CONECT 3040 3039 CONECT 3041 3039 CONECT 3042 3039 CONECT 3043 3038 3044 3045 CONECT 3044 3043 CONECT 3045 3043 3046 3055 CONECT 3046 3045 3047 3051 3054 CONECT 3047 3046 3048 3049 3050 CONECT 3048 3047 CONECT 3049 3047 CONECT 3050 3047 CONECT 3051 3046 3052 3053 CONECT 3052 3051 CONECT 3053 3051 CONECT 3054 3046 CONECT 3055 3045 CONECT 3056 3038 CONECT 3057 3037 CONECT 3058 3034 3059 3064 3065 CONECT 3059 3058 3060 CONECT 3060 3059 3061 CONECT 3061 2897 3060 3062 3063 CONECT 3062 3061 CONECT 3063 3061 CONECT 3064 3058 CONECT 3065 3058 CONECT 3066 3034 CONECT 3067 3033 CONECT 3068 3017 CONECT 3069 3016 CONECT 3070 2995 CONECT 3071 2994 CONECT 3072 2987 CONECT 3073 2986 CONECT 3074 2965 CONECT 3075 2964 CONECT 3076 2961 3077 3083 3084 CONECT 3077 3076 3078 3081 3082 CONECT 3078 3077 3079 3080 CONECT 3079 3078 CONECT 3080 3078 CONECT 3081 3077 CONECT 3082 3077 CONECT 3083 3076 CONECT 3084 3076 CONECT 3085 2961 CONECT 3086 2960 CONECT 3087 2939 CONECT 3088 2938 CONECT 3089 2935 3090 3098 3099 CONECT 3090 3089 3091 3094 CONECT 3091 3090 3092 3097 CONECT 3092 3091 3093 3096 CONECT 3093 3092 3094 CONECT 3094 3090 3093 3095 CONECT 3095 3094 CONECT 3096 3092 CONECT 3097 3091 CONECT 3098 3089 CONECT 3099 3089 CONECT 3100 2935 CONECT 3101 2934 CONECT 3102 2913 CONECT 3103 2912 CONECT 3104 2905 CONECT 3105 2904 CONECT 3106 2901 3107 3113 3114 CONECT 3107 3106 3108 3111 3112 CONECT 3108 3107 3109 3110 CONECT 3109 3108 CONECT 3110 3108 CONECT 3111 3107 CONECT 3112 3107 CONECT 3113 3106 CONECT 3114 3106 CONECT 3115 2901 CONECT 3116 2900 CONECT 3117 2897 CONECT 3118 2896 CONECT 3119 2889 CONECT 3120 2888 CONECT 3121 2885 CONECT 3122 2885 CONECT 3123 2884 MASTER 0 0 0 0 0 0 0 0 3120 3 264 12 END
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17-mer
4i32
RCSB PDB
PDBbind
17-mer
4i33
RCSB PDB
PDBbind
17-mer
4j2c
RCSB PDB
PDBbind
17-mer
4kmd
RCSB PDB
PDBbind
17-mer
4lg6
RCSB PDB
PDBbind
17-mer
4ngh
RCSB PDB
PDBbind
17-mer
4nhc
RCSB PDB
PDBbind
17-mer
4odn
RCSB PDB
PDBbind
17-mer
4qqi
RCSB PDB
PDBbind
17-mer
4tzq
RCSB PDB
PDBbind
17-mer
4u0c
RCSB PDB
PDBbind
17-mer
4u0d
RCSB PDB
PDBbind
17-mer
4uu5
RCSB PDB
PDBbind
17-mer
4wym
RCSB PDB
PDBbind
17-mer
4z88
RCSB PDB
PDBbind
17-mer
4z89
RCSB PDB
PDBbind
17-mer
4z8a
RCSB PDB
PDBbind
17-mer
5ajo
RCSB PDB
PDBbind
17-mer
5ajp
RCSB PDB
PDBbind
17-mer
5fos
RCSB PDB
PDBbind
17-mer
5hog
RCSB PDB
PDBbind
17-mer
5i22
RCSB PDB
PDBbind
17-mer
5ixt
RCSB PDB
PDBbind
17-mer
5j3v
RCSB PDB
PDBbind
17-mer
5twh
RCSB PDB
PDBbind
17-mer
5vlp
RCSB PDB
PDBbind
17-mer
5vzu
RCSB PDB
PDBbind
17-mer
5xgl
RCSB PDB
PDBbind
17-mer
5xxf
RCSB PDB
PDBbind
17-mer
5yco
RCSB PDB
PDBbind
17-mer
5znr
RCSB PDB
PDBbind
17-mer
6a6w
RCSB PDB
PDBbind
17-mer
6e49
RCSB PDB
PDBbind
17-mer
6f6d
RCSB PDB
PDBbind
17-mer
6rjp
RCSB PDB
PDBbind
17-mer
6qtm
RCSB PDB
PDBbind
17-mer
6q36
RCSB PDB
PDBbind
17-mer
6njz
RCSB PDB
PDBbind
17-mer
6kmj
RCSB PDB
PDBbind
17-mer
6dat
RCSB PDB
PDBbind
17-mer
6da1
RCSB PDB
PDBbind
17-mer
5zk5
RCSB PDB
PDBbind
17-mer
5oy3
RCSB PDB
PDBbind
17-mer
6uyx
RCSB PDB
PDBbind
17-mer
6uyy
RCSB PDB
PDBbind
17-mer
6uyz
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
1czq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
IQN17
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=29uM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
(1999) Cell(Cambridge,Mass.) Vol. 99: pp. 103-115
Ligand Properties
Formula
C
8
1
H
1
1
8
N
2
6
O
2
2
S
2
Molecular Weight
1872.090
Exact Mass
1870.840
No. of atoms
249
No. of bonds
254
Polar Surface Area
820.38
LOGP Value
4.14 (
Computed with XLOGP3
)
-1.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 48
No. of Rings: 6
Canonical SMILES
OC(=O)CC[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)C)CCC[NH+]=C(N)N)Cc1cnc[nH]1)CCC[NH+]=C(N)N)CCC(=O)O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C)C)NC(=O)[C@H](NC(=O)CNC(=O)C)C
InChI String
InChI=1S/C81H116N26O22S2/c1-38(2)27-56-74(123)107-60(77(126)96-40(4)65(114)97-43(7)79(128)129)35-130-131-36-61(106-66(115)39(3)93-62(109)34-89-44(8)108)78(127)101-54(21-23-63(110)111)69(118)94-41(5)67(116)98-52(19-13-25-87-80(82)83)71(120)105-59(30-47-33-86-37-92-47)76(125)99-53(20-14-26-88-81(84)85)70(119)100-55(22-24-64(112)113)72(121)104-57(28-45-31-90-50-17-11-9-15-48(45)50)73(122)95-42(6)68(117)102-58(75(124)103-56)29-46-32-91-51-18-12-10-16-49(46)51/h9-12,15-18,31-33,37-43,52-61,90-91H,13-14,19-30,34-36H2,1-8H3,(H,86,92)(H,89,108)(H,93,109)(H,94,118)(H,95,122)(H,96,126)(H,97,114)(H,98,116)(H,99,125)(H,100,119)(H,101,127)(H,102,117)(H,103,124)(H,104,121)(H,105,120)(H,106,115)(H,107,123)(H,110,111)(H,112,113)(H,128,129)(H4,82,83,87)(H4,84,85,88)/p+2/t39-,40-,41-,42-,43-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m1/s1
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
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