Browse entries in the PDBbind-CN Database
HEADER 6IXD_COMPLEX COMPND 6IXD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL ILE GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 A 99 ILE ALA GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY ALA THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL ILE GLU GLU MET SER LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 B 99 ILE ALA GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY ALA THR LEU ASN PHE HET B A 0F 117 ATOM 1 N PRO A 1 0.571 40.493 18.070 1.00 17.13 N ATOM 2 CA PRO A 1 -0.215 39.303 18.410 1.00 16.59 C ATOM 3 C PRO A 1 0.359 38.539 19.586 1.00 15.27 C ATOM 4 O PRO A 1 1.512 38.747 19.966 1.00 15.64 O ATOM 5 CB PRO A 1 -0.092 38.433 17.158 1.00 18.47 C ATOM 6 CG PRO A 1 1.174 38.860 16.530 1.00 19.65 C ATOM 7 CD PRO A 1 1.242 40.341 16.769 1.00 18.65 C ATOM 8 HN2 PRO A 1 1.290 40.645 18.806 1.00 0.00 H ATOM 9 HN1 PRO A 1 -0.062 41.317 18.030 1.00 0.00 H ATOM 10 N GLN A 2 -0.468 37.658 20.144 1.00 14.61 N ATOM 11 CA GLN A 2 -0.059 36.715 21.168 1.00 14.18 C ATOM 12 C GLN A 2 -0.231 35.317 20.610 1.00 13.88 C ATOM 13 O GLN A 2 -1.324 34.935 20.182 1.00 15.63 O ATOM 14 CB GLN A 2 -0.904 36.866 22.428 1.00 14.55 C ATOM 15 CG GLN A 2 -0.622 35.780 23.457 1.00 15.04 C ATOM 16 CD GLN A 2 -1.088 36.169 24.840 1.00 16.34 C ATOM 17 OE1 GLN A 2 -0.481 37.021 25.493 1.00 16.72 O ATOM 18 NE2 GLN A 2 -2.178 35.559 25.292 1.00 17.59 N ATOM 19 HE22 GLN A 2 -2.656 34.846 24.705 1.00 0.00 H ATOM 20 HE21 GLN A 2 -2.553 35.794 26.233 1.00 0.00 H ATOM 21 H GLN A 2 -1.459 37.645 19.830 1.00 0.00 H ATOM 22 N ILE A 3 0.866 34.568 20.593 1.00 13.23 N ATOM 23 CA ILE A 3 0.865 33.218 20.069 1.00 13.20 C ATOM 24 C ILE A 3 1.068 32.234 21.217 1.00 12.48 C ATOM 25 O ILE A 3 2.075 32.274 21.926 1.00 12.17 O ATOM 26 CB ILE A 3 1.953 33.036 18.993 1.00 14.26 C ATOM 27 CG1 ILE A 3 1.689 33.986 17.824 1.00 15.22 C ATOM 28 CG2 ILE A 3 2.005 31.595 18.511 1.00 14.83 C ATOM 29 CD1 ILE A 3 2.724 33.910 16.729 1.00 15.80 C ATOM 30 H ILE A 3 1.752 34.963 20.967 1.00 0.00 H ATOM 31 N THR A 4 0.078 31.374 21.418 1.00 13.15 N ATOM 32 CA THR A 4 0.179 30.331 22.427 1.00 12.85 C ATOM 33 C THR A 4 1.033 29.185 21.885 1.00 11.64 C ATOM 34 O THR A 4 1.391 29.154 20.705 1.00 12.82 O ATOM 35 CB THR A 4 -1.204 29.817 22.859 1.00 14.79 C ATOM 36 OG1 THR A 4 -1.885 29.287 21.719 1.00 16.34 O ATOM 37 CG2 THR A 4 -2.024 30.940 23.491 1.00 15.72 C ATOM 38 HG1 THR A 4 -1.357 28.542 21.338 1.00 0.00 H ATOM 39 H THR A 4 -0.786 31.447 20.844 1.00 0.00 H ATOM 40 N LEU A 5 1.367 28.248 22.762 1.00 10.09 N ATOM 41 CA LEU A 5 2.339 27.206 22.440 1.00 9.40 C ATOM 42 C LEU A 5 1.758 25.795 22.502 1.00 9.09 C ATOM 43 O LEU A 5 2.490 24.809 22.575 1.00 8.98 O ATOM 44 CB LEU A 5 3.594 27.359 23.305 1.00 8.84 C ATOM 45 CG LEU A 5 4.356 28.656 23.022 1.00 9.23 C ATOM 46 CD1 LEU A 5 5.410 28.881 24.076 1.00 9.63 C ATOM 47 CD2 LEU A 5 4.995 28.634 21.638 1.00 9.86 C ATOM 48 H LEU A 5 0.925 28.255 23.704 1.00 0.00 H ATOM 49 N TRP A 6 0.427 25.721 22.480 1.00 9.47 N ATOM 50 CA TRP A 6 -0.286 24.448 22.404 1.00 9.64 C ATOM 51 C TRP A 6 0.065 23.706 21.121 1.00 9.62 C ATOM 52 O TRP A 6 0.068 22.473 21.088 1.00 9.72 O ATOM 53 CB TRP A 6 -1.803 24.665 22.473 1.00 9.64 C ATOM 54 CG TRP A 6 -2.252 25.450 23.666 1.00 9.29 C ATOM 55 CD1 TRP A 6 -2.816 26.698 23.665 1.00 9.82 C ATOM 56 CD2 TRP A 6 -2.172 25.047 25.038 1.00 9.05 C ATOM 57 NE1 TRP A 6 -3.095 27.090 24.952 1.00 9.76 N ATOM 58 CE2 TRP A 6 -2.710 26.096 25.811 1.00 9.73 C ATOM 59 CE3 TRP A 6 -1.709 23.898 25.688 1.00 9.19 C ATOM 60 CZ2 TRP A 6 -2.788 26.036 27.200 1.00 10.10 C ATOM 61 CZ3 TRP A 6 -1.790 23.842 27.073 1.00 9.94 C ATOM 62 CH2 TRP A 6 -2.323 24.905 27.811 1.00 10.09 C ATOM 63 HE1 TRP A 6 -3.528 27.994 25.228 1.00 0.00 H ATOM 64 H TRP A 6 -0.124 26.602 22.518 1.00 0.00 H ATOM 65 N LYS A 7 0.342 24.472 20.067 1.00 10.36 N ATOM 66 CA LYS A 7 0.765 23.934 18.774 1.00 10.50 C ATOM 67 C LYS A 7 2.091 24.576 18.370 1.00 9.86 C ATOM 68 O LYS A 7 2.509 25.575 18.958 1.00 9.79 O ATOM 69 CB LYS A 7 -0.302 24.179 17.696 1.00 12.80 C ATOM 70 CG LYS A 7 -0.730 25.629 17.542 1.00 15.75 C ATOM 71 CD LYS A 7 -2.074 25.749 16.827 1.00 17.12 C ATOM 72 CE LYS A 7 -1.984 25.330 15.368 1.00 17.56 C ATOM 73 NZ LYS A 7 -3.292 25.441 14.666 1.00 17.49 N ATOM 74 HZ1 LYS A 7 -3.989 24.828 15.135 1.00 0.00 H ATOM 75 HZ2 LYS A 7 -3.619 26.428 14.699 1.00 0.00 H ATOM 76 HZ3 LYS A 7 -3.179 25.145 13.676 1.00 0.00 H ATOM 77 H LYS A 7 0.253 25.503 20.168 1.00 0.00 H ATOM 78 N ARG A 8 2.753 24.011 17.366 1.00 9.80 N ATOM 79 CA ARG A 8 3.982 24.619 16.867 1.00 9.57 C ATOM 80 C ARG A 8 3.683 26.045 16.420 1.00 9.17 C ATOM 81 O ARG A 8 2.664 26.290 15.773 1.00 9.54 O ATOM 82 CB ARG A 8 4.558 23.823 15.690 1.00 10.19 C ATOM 83 CG ARG A 8 5.124 22.457 16.059 1.00 11.10 C ATOM 84 CD ARG A 8 5.950 21.868 14.925 1.00 12.30 C ATOM 85 NE ARG A 8 5.131 21.626 13.746 1.00 13.81 N ATOM 86 CZ ARG A 8 5.610 21.321 12.548 1.00 15.04 C ATOM 87 NH1 ARG A 8 6.918 21.220 12.346 1.00 15.67 N ATOM 88 NH2 ARG A 8 4.771 21.120 11.547 1.00 15.11 N ATOM 89 HE ARG A 8 4.099 21.697 13.851 1.00 0.00 H ATOM 90 HH12 ARG A 8 7.281 20.980 11.402 1.00 0.00 H ATOM 91 HH11 ARG A 8 7.580 21.381 13.132 1.00 0.00 H ATOM 92 HH22 ARG A 8 5.136 20.880 10.603 1.00 0.00 H ATOM 93 HH21 ARG A 8 3.746 21.202 11.703 1.00 0.00 H ATOM 94 H ARG A 8 2.395 23.135 16.935 1.00 0.00 H ATOM 95 N PRO A 9 4.570 26.996 16.755 1.00 8.91 N ATOM 96 CA PRO A 9 4.302 28.388 16.362 1.00 9.35 C ATOM 97 C PRO A 9 4.786 28.671 14.941 1.00 9.66 C ATOM 98 O PRO A 9 5.845 29.261 14.710 1.00 10.07 O ATOM 99 CB PRO A 9 5.068 29.202 17.408 1.00 9.64 C ATOM 100 CG PRO A 9 6.199 28.309 17.799 1.00 9.35 C ATOM 101 CD PRO A 9 5.635 26.910 17.773 1.00 9.18 C ATOM 102 N LEU A 10 3.985 28.207 13.992 1.00 10.65 N ATOM 103 CA LEU A 10 4.262 28.357 12.573 1.00 11.63 C ATOM 104 C LEU A 10 3.608 29.622 12.043 1.00 11.58 C ATOM 105 O LEU A 10 2.462 29.930 12.388 1.00 12.93 O ATOM 106 CB LEU A 10 3.728 27.147 11.804 1.00 13.04 C ATOM 107 CG LEU A 10 4.374 25.805 12.150 1.00 14.97 C ATOM 108 CD1 LEU A 10 3.601 24.662 11.524 1.00 16.83 C ATOM 109 CD2 LEU A 10 5.827 25.767 11.706 1.00 16.44 C ATOM 110 H LEU A 10 3.116 27.712 14.277 1.00 0.00 H ATOM 111 N VAL A 11 4.338 30.343 11.197 1.00 10.96 N ATOM 112 CA VAL A 11 3.833 31.543 10.555 1.00 11.21 C ATOM 113 C VAL A 11 4.218 31.536 9.082 1.00 11.12 C ATOM 114 O VAL A 11 5.087 30.773 8.650 1.00 11.25 O ATOM 115 CB VAL A 11 4.383 32.834 11.206 1.00 12.40 C ATOM 116 CG1 VAL A 11 3.978 32.918 12.672 1.00 13.48 C ATOM 117 CG2 VAL A 11 5.891 32.914 11.057 1.00 12.93 C ATOM 118 H VAL A 11 5.309 30.035 10.987 1.00 0.00 H ATOM 119 N THR A 12 3.568 32.395 8.310 1.00 11.75 N ATOM 120 CA THR A 12 3.943 32.598 6.925 1.00 11.89 C ATOM 121 C THR A 12 5.016 33.669 6.848 1.00 11.44 C ATOM 122 O THR A 12 4.922 34.713 7.504 1.00 12.36 O ATOM 123 CB THR A 12 2.735 33.015 6.089 1.00 13.72 C ATOM 124 OG1 THR A 12 1.722 32.012 6.206 1.00 15.09 O ATOM 125 CG2 THR A 12 3.121 33.174 4.619 1.00 14.47 C ATOM 126 HG1 THR A 12 2.075 31.148 5.877 1.00 0.00 H ATOM 127 H THR A 12 2.772 32.935 8.706 1.00 0.00 H ATOM 128 N ILE A 13 6.038 33.395 6.043 1.00 10.98 N ATOM 129 CA ILE A 13 7.084 34.363 5.770 1.00 10.88 C ATOM 130 C ILE A 13 7.163 34.631 4.270 1.00 10.57 C ATOM 131 O ILE A 13 6.727 33.813 3.451 1.00 11.25 O ATOM 132 CB ILE A 13 8.468 33.896 6.295 1.00 10.70 C ATOM 133 CG1 ILE A 13 8.987 32.675 5.523 1.00 10.77 C ATOM 134 CG2 ILE A 13 8.385 33.597 7.785 1.00 10.85 C ATOM 135 CD1 ILE A 13 10.446 32.337 5.804 1.00 10.67 C ATOM 136 H ILE A 13 6.089 32.458 5.595 1.00 0.00 H ATOM 137 N LYS A 14 7.708 35.788 3.924 1.00 11.07 N ATOM 138 CA LYS A 14 8.059 36.074 2.543 1.00 11.79 C ATOM 139 C LYS A 14 9.546 36.379 2.512 1.00 10.79 C ATOM 140 O LYS A 14 10.039 37.246 3.243 1.00 11.16 O ATOM 141 CB LYS A 14 7.254 37.241 1.978 1.00 13.98 C ATOM 142 CG LYS A 14 7.446 37.402 0.475 1.00 16.31 C ATOM 143 CD LYS A 14 6.605 38.528 -0.096 1.00 18.80 C ATOM 144 CE LYS A 14 6.803 38.635 -1.600 1.00 21.13 C ATOM 145 NZ LYS A 14 6.047 39.772 -2.191 1.00 22.56 N ATOM 146 HZ1 LYS A 14 5.031 39.644 -2.008 1.00 0.00 H ATOM 147 HZ2 LYS A 14 6.368 40.662 -1.760 1.00 0.00 H ATOM 148 HZ3 LYS A 14 6.215 39.802 -3.217 1.00 0.00 H ATOM 149 H LYS A 14 7.888 36.506 4.655 1.00 0.00 H ATOM 150 N ILE A 15 10.254 35.648 1.663 1.00 10.48 N ATOM 151 CA ILE A 15 11.691 35.782 1.557 1.00 10.60 C ATOM 152 C ILE A 15 12.083 35.524 0.114 1.00 10.69 C ATOM 153 O ILE A 15 11.622 34.557 -0.488 1.00 10.51 O ATOM 154 CB ILE A 15 12.432 34.804 2.508 1.00 10.77 C ATOM 155 CG1 ILE A 15 13.945 34.957 2.335 1.00 11.45 C ATOM 156 CG2 ILE A 15 11.958 33.353 2.320 1.00 11.28 C ATOM 157 CD1 ILE A 15 14.775 34.121 3.285 1.00 12.13 C ATOM 158 H ILE A 15 9.764 34.960 1.057 1.00 0.00 H ATOM 159 N GLY A 16 12.909 36.396 -0.453 1.00 11.80 N ATOM 160 CA GLY A 16 13.391 36.185 -1.806 1.00 12.86 C ATOM 161 C GLY A 16 12.267 36.035 -2.811 1.00 13.48 C ATOM 162 O GLY A 16 12.398 35.293 -3.785 1.00 14.65 O ATOM 163 H GLY A 16 13.213 37.237 0.077 1.00 0.00 H ATOM 164 N GLY A 17 11.167 36.748 -2.582 1.00 13.63 N ATOM 165 CA GLY A 17 10.017 36.708 -3.467 1.00 14.49 C ATOM 166 C GLY A 17 9.136 35.478 -3.325 1.00 14.54 C ATOM 167 O GLY A 17 8.203 35.294 -4.102 1.00 16.69 O ATOM 168 H GLY A 17 11.130 37.356 -1.739 1.00 0.00 H ATOM 169 N GLN A 18 9.421 34.650 -2.323 1.00 12.40 N ATOM 170 CA GLN A 18 8.716 33.386 -2.117 1.00 11.90 C ATOM 171 C GLN A 18 7.992 33.363 -0.784 1.00 12.10 C ATOM 172 O GLN A 18 8.497 33.875 0.213 1.00 13.75 O ATOM 173 CB GLN A 18 9.708 32.219 -2.128 1.00 11.67 C ATOM 174 CG GLN A 18 10.431 32.067 -3.446 1.00 12.11 C ATOM 175 CD GLN A 18 11.503 31.010 -3.416 1.00 12.70 C ATOM 176 OE1 GLN A 18 11.276 29.874 -2.984 1.00 13.48 O ATOM 177 NE2 GLN A 18 12.693 31.385 -3.843 1.00 15.41 N ATOM 178 HE22 GLN A 18 12.837 32.352 -4.198 1.00 0.00 H ATOM 179 HE21 GLN A 18 13.487 30.714 -3.825 1.00 0.00 H ATOM 180 H GLN A 18 10.177 34.913 -1.659 1.00 0.00 H ATOM 181 N LEU A 19 6.829 32.725 -0.758 1.00 11.84 N ATOM 182 CA LEU A 19 6.110 32.468 0.483 1.00 12.26 C ATOM 183 C LEU A 19 6.514 31.107 1.014 1.00 11.41 C ATOM 184 O LEU A 19 6.581 30.129 0.262 1.00 12.52 O ATOM 185 CB LEU A 19 4.605 32.496 0.246 1.00 14.03 C ATOM 186 CG LEU A 19 4.035 33.854 -0.144 1.00 15.66 C ATOM 187 CD1 LEU A 19 2.578 33.709 -0.544 1.00 17.07 C ATOM 188 CD2 LEU A 19 4.187 34.841 1.005 1.00 16.83 C ATOM 189 H LEU A 19 6.416 32.397 -1.654 1.00 0.00 H ATOM 190 N LYS A 20 6.789 31.054 2.313 1.00 10.91 N ATOM 191 CA LYS A 20 7.123 29.809 2.990 1.00 10.47 C ATOM 192 C LYS A 20 6.479 29.809 4.365 1.00 10.43 C ATOM 193 O LYS A 20 6.106 30.860 4.886 1.00 12.07 O ATOM 194 CB LYS A 20 8.642 29.646 3.134 1.00 10.43 C ATOM 195 CG LYS A 20 9.367 29.420 1.811 1.00 10.44 C ATOM 196 CD LYS A 20 10.855 29.172 1.999 1.00 10.51 C ATOM 197 CE LYS A 20 11.568 28.861 0.695 1.00 10.82 C ATOM 198 NZ LYS A 20 11.071 27.603 0.085 1.00 10.74 N ATOM 199 HZ1 LYS A 20 11.231 26.813 0.743 1.00 0.00 H ATOM 200 HZ2 LYS A 20 10.053 27.692 -0.111 1.00 0.00 H ATOM 201 HZ3 LYS A 20 11.582 27.425 -0.803 1.00 0.00 H ATOM 202 H LYS A 20 6.765 31.934 2.866 1.00 0.00 H ATOM 203 N GLU A 21 6.366 28.627 4.955 1.00 10.68 N ATOM 204 CA GLU A 21 5.969 28.500 6.349 1.00 10.76 C ATOM 205 C GLU A 21 7.236 28.315 7.169 1.00 9.82 C ATOM 206 O GLU A 21 8.156 27.611 6.741 1.00 10.58 O ATOM 207 CB GLU A 21 5.064 27.283 6.518 1.00 12.78 C ATOM 208 CG GLU A 21 4.442 27.147 7.885 1.00 16.48 C ATOM 209 CD GLU A 21 3.609 25.883 8.020 1.00 20.19 C ATOM 210 OE1 GLU A 21 4.157 24.775 7.816 1.00 21.65 O ATOM 211 OE2 GLU A 21 2.405 25.997 8.331 1.00 22.04 O ATOM 212 H GLU A 21 6.567 27.767 4.406 1.00 0.00 H ATOM 213 N ALA A 22 7.283 28.924 8.350 1.00 9.28 N ATOM 214 CA ALA A 22 8.464 28.818 9.195 1.00 8.87 C ATOM 215 C ALA A 22 8.071 28.815 10.665 1.00 9.08 C ATOM 216 O ALA A 22 7.014 29.315 11.053 1.00 10.34 O ATOM 217 CB ALA A 22 9.431 29.947 8.926 1.00 9.50 C ATOM 218 H ALA A 22 6.467 29.482 8.674 1.00 0.00 H ATOM 219 N LEU A 23 8.963 28.217 11.458 1.00 9.00 N ATOM 220 CA LEU A 23 8.825 27.982 12.896 1.00 8.92 C ATOM 221 C LEU A 23 9.504 29.113 13.665 1.00 8.53 C ATOM 222 O LEU A 23 10.685 29.382 13.448 1.00 8.65 O ATOM 223 CB LEU A 23 9.502 26.642 13.242 1.00 8.53 C ATOM 224 CG LEU A 23 9.509 26.139 14.692 1.00 8.49 C ATOM 225 CD1 LEU A 23 8.091 25.860 15.166 1.00 9.67 C ATOM 226 CD2 LEU A 23 10.380 24.900 14.824 1.00 8.75 C ATOM 227 H LEU A 23 9.841 27.886 11.010 1.00 0.00 H ATOM 228 N LEU A 24 8.773 29.770 14.565 1.00 8.40 N ATOM 229 CA LEU A 24 9.359 30.812 15.411 1.00 8.36 C ATOM 230 C LEU A 24 10.076 30.133 16.579 1.00 7.85 C ATOM 231 O LEU A 24 9.430 29.656 17.521 1.00 8.33 O ATOM 232 CB LEU A 24 8.284 31.776 15.921 1.00 9.01 C ATOM 233 CG LEU A 24 7.436 32.519 14.883 1.00 9.77 C ATOM 234 CD1 LEU A 24 6.495 33.496 15.582 1.00 11.25 C ATOM 235 CD2 LEU A 24 8.315 33.241 13.863 1.00 10.46 C ATOM 236 H LEU A 24 7.765 29.538 14.669 1.00 0.00 H ATOM 237 N ASP A 25 11.409 30.092 16.503 1.00 7.01 N ATOM 238 CA ASP A 25 12.212 29.196 17.335 1.00 6.61 C ATOM 239 C ASP A 25 13.176 29.950 18.248 1.00 6.17 C ATOM 240 O ASP A 25 14.270 30.348 17.831 1.00 6.17 O ATOM 241 CB ASP A 25 12.980 28.204 16.451 1.00 6.84 C ATOM 242 CG ASP A 25 13.862 27.264 17.251 1.00 7.00 C ATOM 243 OD1 ASP A 25 13.798 27.314 18.495 1.00 7.10 O ATOM 244 OD2 ASP A 25 14.619 26.484 16.616 1.00 6.50 O ATOM 245 H ASP A 25 11.893 30.719 15.829 1.00 0.00 H ATOM 246 N THR A 26 12.770 30.130 19.503 1.00 6.15 N ATOM 247 CA THR A 26 13.610 30.825 20.466 1.00 6.32 C ATOM 248 C THR A 26 14.899 30.072 20.801 1.00 6.15 C ATOM 249 O THR A 26 15.814 30.674 21.375 1.00 6.70 O ATOM 250 CB THR A 26 12.851 31.140 21.758 1.00 6.63 C ATOM 251 OG1 THR A 26 12.396 29.926 22.354 1.00 6.35 O ATOM 252 CG2 THR A 26 11.661 32.040 21.484 1.00 7.11 C ATOM 253 HG1 THR A 26 13.174 29.350 22.561 1.00 0.00 H ATOM 254 H THR A 26 11.840 29.769 19.799 1.00 0.00 H ATOM 255 N GLY A 27 14.971 28.779 20.468 1.00 6.19 N ATOM 256 CA GLY A 27 16.186 28.011 20.671 1.00 6.28 C ATOM 257 C GLY A 27 17.223 28.135 19.578 1.00 6.34 C ATOM 258 O GLY A 27 18.335 27.620 19.733 1.00 6.81 O ATOM 259 H GLY A 27 14.138 28.313 20.054 1.00 0.00 H ATOM 260 N ALA A 28 16.876 28.801 18.480 1.00 6.08 N ATOM 261 CA ALA A 28 17.775 28.948 17.344 1.00 6.45 C ATOM 262 C ALA A 28 18.435 30.316 17.395 1.00 6.61 C ATOM 263 O ALA A 28 17.752 31.337 17.441 1.00 7.38 O ATOM 264 CB ALA A 28 16.997 28.803 16.054 1.00 6.96 C ATOM 265 H ALA A 28 15.930 29.231 18.431 1.00 0.00 H ATOM 266 N ASP A 29 19.768 30.351 17.408 1.00 6.64 N ATOM 267 CA ASP A 29 20.473 31.635 17.426 1.00 7.33 C ATOM 268 C ASP A 29 20.197 32.392 16.123 1.00 7.46 C ATOM 269 O ASP A 29 19.988 33.616 16.115 1.00 7.89 O ATOM 270 CB ASP A 29 21.990 31.434 17.549 1.00 7.44 C ATOM 271 CG ASP A 29 22.425 30.894 18.907 1.00 8.11 C ATOM 272 OD1 ASP A 29 21.622 30.861 19.866 1.00 7.34 O ATOM 273 OD2 ASP A 29 23.617 30.536 19.017 1.00 10.85 O ATOM 274 H ASP A 29 20.309 29.463 17.405 1.00 0.00 H ATOM 275 N ASP A 30 20.242 31.620 15.034 1.00 7.58 N ATOM 276 CA ASP A 30 20.212 32.096 13.665 1.00 7.48 C ATOM 277 C ASP A 30 18.943 31.592 12.988 1.00 6.32 C ATOM 278 O ASP A 30 18.165 30.822 13.562 1.00 6.42 O ATOM 279 CB ASP A 30 21.441 31.570 12.906 1.00 9.26 C ATOM 280 CG ASP A 30 22.752 31.929 13.580 1.00 12.86 C ATOM 281 OD1 ASP A 30 23.702 31.126 13.490 1.00 15.67 O ATOM 282 OD2 ASP A 30 22.840 33.016 14.192 1.00 13.95 O ATOM 283 H ASP A 30 20.304 30.592 15.180 1.00 0.00 H ATOM 284 N THR A 31 18.782 32.026 11.743 1.00 6.35 N ATOM 285 CA THR A 31 17.623 31.726 10.917 1.00 6.45 C ATOM 286 C THR A 31 18.083 30.829 9.776 1.00 6.51 C ATOM 287 O THR A 31 19.043 31.165 9.082 1.00 7.27 O ATOM 288 CB THR A 31 17.015 33.050 10.403 1.00 5.93 C ATOM 289 OG1 THR A 31 16.426 33.735 11.516 1.00 6.17 O ATOM 290 CG2 THR A 31 15.963 32.840 9.320 1.00 5.91 C ATOM 291 HG1 THR A 31 17.123 33.921 12.194 1.00 0.00 H ATOM 292 H THR A 31 19.532 32.618 11.333 1.00 0.00 H ATOM 293 N VAL A 32 17.428 29.682 9.598 1.00 6.78 N ATOM 294 CA VAL A 32 17.805 28.766 8.527 1.00 7.06 C ATOM 295 C VAL A 32 16.577 28.301 7.762 1.00 6.98 C ATOM 296 O VAL A 32 15.568 27.870 8.337 1.00 6.95 O ATOM 297 CB VAL A 32 18.649 27.567 9.029 1.00 7.35 C ATOM 298 CG1 VAL A 32 17.850 26.702 9.984 1.00 7.51 C ATOM 299 CG2 VAL A 32 19.186 26.743 7.860 1.00 7.53 C ATOM 300 H VAL A 32 16.639 29.437 10.230 1.00 0.00 H ATOM 301 N ILE A 33 16.705 28.411 6.449 1.00 7.16 N ATOM 302 CA ILE A 33 15.664 28.120 5.484 1.00 7.29 C ATOM 303 C ILE A 33 16.142 26.995 4.564 1.00 7.21 C ATOM 304 O ILE A 33 17.334 26.890 4.244 1.00 7.52 O ATOM 305 CB ILE A 33 15.323 29.396 4.662 1.00 8.12 C ATOM 306 CG1 ILE A 33 14.984 30.574 5.588 1.00 8.64 C ATOM 307 CG2 ILE A 33 14.201 29.131 3.657 1.00 8.68 C ATOM 308 CD1 ILE A 33 13.742 30.395 6.449 1.00 9.27 C ATOM 309 H ILE A 33 17.624 28.731 6.082 1.00 0.00 H ATOM 310 N GLU A 34 15.195 26.156 4.153 1.00 7.48 N ATOM 311 CA GLU A 34 15.431 25.122 3.158 1.00 8.01 C ATOM 312 C GLU A 34 15.983 25.712 1.862 1.00 7.69 C ATOM 313 O GLU A 34 15.898 26.919 1.599 1.00 7.91 O ATOM 314 CB GLU A 34 14.115 24.404 2.868 1.00 8.70 C ATOM 315 CG GLU A 34 13.094 25.303 2.172 1.00 9.12 C ATOM 316 CD GLU A 34 11.650 24.842 2.317 1.00 11.11 C ATOM 317 OE1 GLU A 34 11.414 23.659 2.651 1.00 14.84 O ATOM 318 OE2 GLU A 34 10.743 25.683 2.109 1.00 10.55 O ATOM 319 H GLU A 34 14.243 26.243 4.562 1.00 0.00 H ATOM 320 N GLU A 35 16.527 24.839 1.019 1.00 8.19 N ATOM 321 CA GLU A 35 17.230 25.304 -0.165 1.00 8.35 C ATOM 322 C GLU A 35 16.389 26.255 -1.006 1.00 8.12 C ATOM 323 O GLU A 35 15.245 25.970 -1.376 1.00 8.57 O ATOM 324 CB GLU A 35 17.710 24.128 -1.015 1.00 8.86 C ATOM 325 CG GLU A 35 18.920 23.426 -0.434 1.00 9.49 C ATOM 326 CD GLU A 35 20.172 24.271 -0.442 1.00 10.08 C ATOM 327 OE1 GLU A 35 20.181 25.303 -1.158 1.00 11.10 O ATOM 328 OE2 GLU A 35 21.139 23.892 0.262 1.00 11.87 O ATOM 329 H GLU A 35 16.449 23.819 1.208 1.00 0.00 H ATOM 330 N MET A 36 17.011 27.377 -1.346 1.00 8.38 N ATOM 331 CA MET A 36 16.422 28.425 -2.161 1.00 8.83 C ATOM 332 C MET A 36 17.563 29.324 -2.602 1.00 9.18 C ATOM 333 O MET A 36 18.654 29.282 -2.022 1.00 9.69 O ATOM 334 CB MET A 36 15.383 29.234 -1.375 1.00 9.51 C ATOM 335 CG MET A 36 15.970 30.085 -0.257 1.00 10.14 C ATOM 336 SD MET A 36 14.733 31.143 0.531 1.00 11.03 S ATOM 337 CE MET A 36 14.315 32.229 -0.836 1.00 11.85 C ATOM 338 H MET A 36 17.984 27.515 -1.006 1.00 0.00 H ATOM 339 N SER A 37 17.304 30.139 -3.620 1.00 9.92 N ATOM 340 CA SER A 37 18.258 31.143 -4.076 1.00 10.86 C ATOM 341 C SER A 37 18.129 32.421 -3.268 1.00 10.20 C ATOM 342 O SER A 37 17.016 32.845 -2.948 1.00 11.22 O ATOM 343 CB SER A 37 17.977 31.514 -5.522 1.00 12.33 C ATOM 344 OG SER A 37 18.061 30.384 -6.342 1.00 13.21 O ATOM 345 HG SER A 37 18.971 29.999 -6.279 1.00 0.00 H ATOM 346 H SER A 37 16.389 30.058 -4.108 1.00 0.00 H ATOM 347 N LEU A 38 19.262 33.042 -2.958 1.00 9.91 N ATOM 348 CA LEU A 38 19.279 34.367 -2.351 1.00 10.47 C ATOM 349 C LEU A 38 20.376 35.185 -2.999 1.00 11.31 C ATOM 350 O LEU A 38 21.345 34.618 -3.504 1.00 11.68 O ATOM 351 CB LEU A 38 19.530 34.280 -0.845 1.00 9.89 C ATOM 352 CG LEU A 38 18.376 33.775 0.014 1.00 9.91 C ATOM 353 CD1 LEU A 38 18.829 33.662 1.456 1.00 10.00 C ATOM 354 CD2 LEU A 38 17.155 34.671 -0.094 1.00 10.85 C ATOM 355 H LEU A 38 20.166 32.567 -3.155 1.00 0.00 H ATOM 356 N PRO A 39 20.233 36.519 -2.978 1.00 13.35 N ATOM 357 CA PRO A 39 21.215 37.400 -3.610 1.00 14.18 C ATOM 358 C PRO A 39 22.448 37.610 -2.745 1.00 14.20 C ATOM 359 O PRO A 39 22.399 37.491 -1.522 1.00 14.25 O ATOM 360 CB PRO A 39 20.456 38.724 -3.729 1.00 15.42 C ATOM 361 CG PRO A 39 19.550 38.720 -2.554 1.00 15.67 C ATOM 362 CD PRO A 39 19.093 37.285 -2.435 1.00 14.46 C ATOM 363 N GLY A 40 23.547 37.965 -3.401 1.00 15.24 N ATOM 364 CA GLY A 40 24.750 38.388 -2.715 1.00 15.42 C ATOM 365 C GLY A 40 25.753 37.280 -2.482 1.00 15.23 C ATOM 366 O GLY A 40 25.546 36.121 -2.856 1.00 15.60 O ATOM 367 H GLY A 40 23.543 37.938 -4.441 1.00 0.00 H ATOM 368 N ARG A 41 26.860 37.650 -1.854 1.00 15.86 N ATOM 369 CA ARG A 41 27.896 36.694 -1.512 1.00 16.68 C ATOM 370 C ARG A 41 27.445 35.821 -0.353 1.00 14.88 C ATOM 371 O ARG A 41 26.569 36.195 0.429 1.00 15.34 O ATOM 372 CB ARG A 41 29.187 37.422 -1.130 1.00 19.72 C ATOM 373 CG ARG A 41 29.747 38.338 -2.197 1.00 22.95 C ATOM 374 CD ARG A 41 31.080 38.919 -1.738 1.00 25.74 C ATOM 375 NE ARG A 41 31.636 39.881 -2.682 1.00 28.07 N ATOM 376 CZ ARG A 41 31.472 41.197 -2.590 1.00 29.77 C ATOM 377 NH1 ARG A 41 30.761 41.709 -1.594 1.00 30.40 N ATOM 378 NH2 ARG A 41 32.017 42.001 -3.493 1.00 30.37 N ATOM 379 HE ARG A 41 32.196 39.514 -3.478 1.00 0.00 H ATOM 380 HH12 ARG A 41 30.633 42.739 -1.522 1.00 0.00 H ATOM 381 HH11 ARG A 41 30.332 41.081 -0.885 1.00 0.00 H ATOM 382 HH22 ARG A 41 31.887 43.030 -3.419 1.00 0.00 H ATOM 383 HH21 ARG A 41 32.574 41.602 -4.275 1.00 0.00 H ATOM 384 H ARG A 41 26.989 38.650 -1.600 1.00 0.00 H ATOM 385 N TRP A 42 28.046 34.649 -0.237 1.00 13.76 N ATOM 386 CA TRP A 42 27.768 33.793 0.902 1.00 12.56 C ATOM 387 C TRP A 42 29.055 33.129 1.361 1.00 12.28 C ATOM 388 O TRP A 42 30.057 33.097 0.639 1.00 13.26 O ATOM 389 CB TRP A 42 26.712 32.737 0.555 1.00 12.97 C ATOM 390 CG TRP A 42 27.096 31.878 -0.598 1.00 13.92 C ATOM 391 CD1 TRP A 42 26.832 32.116 -1.914 1.00 15.18 C ATOM 392 CD2 TRP A 42 27.828 30.648 -0.553 1.00 14.32 C ATOM 393 NE1 TRP A 42 27.349 31.110 -2.693 1.00 15.68 N ATOM 394 CE2 TRP A 42 27.970 30.198 -1.882 1.00 15.27 C ATOM 395 CE3 TRP A 42 28.379 29.884 0.480 1.00 14.82 C ATOM 396 CZ2 TRP A 42 28.633 29.018 -2.204 1.00 16.47 C ATOM 397 CZ3 TRP A 42 29.042 28.713 0.155 1.00 15.92 C ATOM 398 CH2 TRP A 42 29.162 28.292 -1.176 1.00 16.67 C ATOM 399 HE1 TRP A 42 27.280 31.051 -3.729 1.00 0.00 H ATOM 400 H TRP A 42 28.721 34.339 -0.965 1.00 0.00 H ATOM 401 N LYS A 43 29.019 32.600 2.577 1.00 11.97 N ATOM 402 CA LYS A 43 30.129 31.815 3.088 1.00 12.94 C ATOM 403 C LYS A 43 29.585 30.588 3.807 1.00 11.20 C ATOM 404 O LYS A 43 28.487 30.608 4.363 1.00 11.08 O ATOM 405 CB LYS A 43 31.021 32.643 4.010 1.00 16.34 C ATOM 406 CG LYS A 43 30.306 33.220 5.199 1.00 18.51 C ATOM 407 CD LYS A 43 31.221 34.137 5.996 1.00 20.77 C ATOM 408 CE LYS A 43 30.429 34.929 7.024 1.00 22.25 C ATOM 409 NZ LYS A 43 31.284 35.850 7.821 1.00 23.35 N ATOM 410 HZ1 LYS A 43 32.005 35.299 8.329 1.00 0.00 H ATOM 411 HZ2 LYS A 43 31.749 36.528 7.184 1.00 0.00 H ATOM 412 HZ3 LYS A 43 30.693 36.364 8.505 1.00 0.00 H ATOM 413 H LYS A 43 28.181 32.750 3.175 1.00 0.00 H ATOM 414 N PRO A 44 30.342 29.494 3.783 1.00 10.79 N ATOM 415 CA PRO A 44 29.854 28.278 4.425 1.00 10.50 C ATOM 416 C PRO A 44 29.988 28.352 5.944 1.00 9.89 C ATOM 417 O PRO A 44 30.863 29.031 6.494 1.00 10.91 O ATOM 418 CB PRO A 44 30.755 27.198 3.836 1.00 11.53 C ATOM 419 CG PRO A 44 32.051 27.910 3.550 1.00 12.31 C ATOM 420 CD PRO A 44 31.660 29.308 3.146 1.00 11.94 C ATOM 421 N LYS A 45 29.094 27.632 6.610 1.00 9.25 N ATOM 422 CA LYS A 45 28.992 27.623 8.054 1.00 9.54 C ATOM 423 C LYS A 45 28.474 26.266 8.493 1.00 8.24 C ATOM 424 O LYS A 45 27.719 25.637 7.757 1.00 8.99 O ATOM 425 CB LYS A 45 27.948 28.679 8.456 1.00 11.36 C ATOM 426 CG LYS A 45 27.845 28.977 9.942 1.00 12.39 C ATOM 427 CD LYS A 45 26.824 30.072 10.213 1.00 14.95 C ATOM 428 CE LYS A 45 26.746 30.416 11.701 1.00 18.21 C ATOM 429 NZ LYS A 45 25.926 31.617 12.015 1.00 20.76 N ATOM 430 HZ1 LYS A 45 26.329 32.446 11.533 1.00 0.00 H ATOM 431 HZ2 LYS A 45 24.951 31.465 11.688 1.00 0.00 H ATOM 432 HZ3 LYS A 45 25.927 31.777 13.043 1.00 0.00 H ATOM 433 H LYS A 45 28.432 27.043 6.066 1.00 0.00 H ATOM 434 N MET A 46 28.874 25.836 9.690 1.00 7.77 N ATOM 435 CA MET A 46 28.310 24.655 10.333 1.00 8.33 C ATOM 436 C MET A 46 27.462 25.086 11.516 1.00 8.67 C ATOM 437 O MET A 46 27.944 25.804 12.398 1.00 8.88 O ATOM 438 CB MET A 46 29.428 23.725 10.808 1.00 8.93 C ATOM 439 CG MET A 46 30.131 23.012 9.676 1.00 9.48 C ATOM 440 SD MET A 46 29.247 21.543 9.139 1.00 9.98 S ATOM 441 CE MET A 46 29.944 20.328 10.267 1.00 10.80 C ATOM 442 H MET A 46 29.620 26.365 10.186 1.00 0.00 H ATOM 443 N ILE A 47 26.201 24.652 11.524 1.00 7.89 N ATOM 444 CA ILE A 47 25.300 24.896 12.646 1.00 7.80 C ATOM 445 C ILE A 47 24.967 23.575 13.336 1.00 6.91 C ATOM 446 O ILE A 47 24.813 22.539 12.679 1.00 6.89 O ATOM 447 CB ILE A 47 24.000 25.641 12.226 1.00 8.57 C ATOM 448 CG1 ILE A 47 23.246 24.877 11.134 1.00 8.92 C ATOM 449 CG2 ILE A 47 24.312 27.063 11.788 1.00 9.99 C ATOM 450 CD1 ILE A 47 21.854 25.432 10.836 1.00 9.22 C ATOM 451 H ILE A 47 25.847 24.121 10.702 1.00 0.00 H ATOM 452 N GLY A 48 24.849 23.620 14.661 1.00 7.19 N ATOM 453 CA GLY A 48 24.688 22.416 15.446 1.00 7.22 C ATOM 454 C GLY A 48 23.620 22.481 16.516 1.00 7.02 C ATOM 455 O GLY A 48 23.278 23.540 17.048 1.00 7.04 O ATOM 456 H GLY A 48 24.873 24.541 15.143 1.00 0.00 H ATOM 457 N GLY A 49 23.089 21.309 16.836 1.00 7.06 N ATOM 458 CA GLY A 49 22.075 21.174 17.860 1.00 7.34 C ATOM 459 C GLY A 49 21.832 19.700 18.094 1.00 7.01 C ATOM 460 O GLY A 49 22.753 18.892 17.976 1.00 7.20 O ATOM 461 H GLY A 49 23.412 20.457 16.334 1.00 0.00 H ATOM 462 N ILE A 50 20.600 19.345 18.426 1.00 7.07 N ATOM 463 CA ILE A 50 20.259 17.940 18.574 1.00 7.40 C ATOM 464 C ILE A 50 20.528 17.201 17.262 1.00 7.44 C ATOM 465 O ILE A 50 20.141 17.650 16.181 1.00 7.58 O ATOM 466 CB ILE A 50 18.808 17.755 19.082 1.00 7.35 C ATOM 467 CG1 ILE A 50 18.745 18.124 20.571 1.00 8.01 C ATOM 468 CG2 ILE A 50 18.322 16.332 18.838 1.00 8.07 C ATOM 469 CD1 ILE A 50 17.357 18.140 21.163 1.00 8.77 C ATOM 470 H ILE A 50 19.874 20.074 18.581 1.00 0.00 H ATOM 471 N GLY A 51 21.244 16.090 17.364 1.00 8.06 N ATOM 472 CA GLY A 51 21.543 15.280 16.208 1.00 9.41 C ATOM 473 C GLY A 51 22.855 15.676 15.597 1.00 9.62 C ATOM 474 O GLY A 51 23.380 14.942 14.766 1.00 11.49 O ATOM 475 H GLY A 51 21.598 15.796 18.297 1.00 0.00 H ATOM 476 N GLY A 52 23.389 16.832 15.977 1.00 10.85 N ATOM 477 CA GLY A 52 24.679 17.209 15.434 1.00 10.81 C ATOM 478 C GLY A 52 24.594 18.397 14.501 1.00 8.99 C ATOM 479 O GLY A 52 23.741 19.264 14.656 1.00 10.42 O ATOM 480 H GLY A 52 22.893 17.452 16.649 1.00 0.00 H ATOM 481 N PHE A 53 25.496 18.427 13.531 1.00 7.78 N ATOM 482 CA PHE A 53 25.699 19.609 12.706 1.00 7.78 C ATOM 483 C PHE A 53 25.267 19.402 11.267 1.00 7.86 C ATOM 484 O PHE A 53 25.337 18.289 10.726 1.00 9.22 O ATOM 485 CB PHE A 53 27.182 20.012 12.704 1.00 8.51 C ATOM 486 CG PHE A 53 27.678 20.532 14.021 1.00 8.81 C ATOM 487 CD1 PHE A 53 28.000 19.662 15.053 1.00 10.44 C ATOM 488 CD2 PHE A 53 27.848 21.894 14.226 1.00 9.17 C ATOM 489 CE1 PHE A 53 28.454 20.148 16.261 1.00 11.54 C ATOM 490 CE2 PHE A 53 28.298 22.383 15.438 1.00 10.48 C ATOM 491 CZ PHE A 53 28.603 21.505 16.453 1.00 11.31 C ATOM 492 H PHE A 53 26.076 17.582 13.354 1.00 0.00 H ATOM 493 N ILE A 54 24.859 20.502 10.638 1.00 7.40 N ATOM 494 CA ILE A 54 24.676 20.557 9.195 1.00 7.54 C ATOM 495 C ILE A 54 25.437 21.752 8.633 1.00 7.14 C ATOM 496 O ILE A 54 25.696 22.741 9.328 1.00 7.48 O ATOM 497 CB ILE A 54 23.185 20.628 8.766 1.00 8.41 C ATOM 498 CG1 ILE A 54 22.501 21.902 9.271 1.00 8.91 C ATOM 499 CG2 ILE A 54 22.440 19.379 9.195 1.00 10.07 C ATOM 500 CD1 ILE A 54 21.098 22.110 8.703 1.00 10.40 C ATOM 501 H ILE A 54 24.663 21.355 11.199 1.00 0.00 H ATOM 502 N LYS A 55 25.800 21.629 7.363 1.00 7.87 N ATOM 503 CA LYS A 55 26.469 22.683 6.625 1.00 7.98 C ATOM 504 C LYS A 55 25.439 23.535 5.901 1.00 8.07 C ATOM 505 O LYS A 55 24.529 23.019 5.250 1.00 9.33 O ATOM 506 CB LYS A 55 27.466 22.091 5.631 1.00 9.36 C ATOM 507 CG LYS A 55 28.319 23.142 4.934 1.00 11.34 C ATOM 508 CD LYS A 55 29.356 22.490 4.050 1.00 14.12 C ATOM 509 CE LYS A 55 28.748 21.973 2.775 1.00 15.35 C ATOM 510 NZ LYS A 55 29.813 21.551 1.828 1.00 16.48 N ATOM 511 HZ1 LYS A 55 30.422 22.365 1.608 1.00 0.00 H ATOM 512 HZ2 LYS A 55 30.383 20.797 2.263 1.00 0.00 H ATOM 513 HZ3 LYS A 55 29.377 21.197 0.953 1.00 0.00 H ATOM 514 H LYS A 55 25.595 20.735 6.874 1.00 0.00 H ATOM 515 N VAL A 56 25.596 24.848 6.018 1.00 7.93 N ATOM 516 CA VAL A 56 24.688 25.802 5.410 1.00 8.27 C ATOM 517 C VAL A 56 25.485 26.900 4.712 1.00 8.39 C ATOM 518 O VAL A 56 26.704 27.023 4.897 1.00 9.49 O ATOM 519 CB VAL A 56 23.740 26.423 6.470 1.00 8.99 C ATOM 520 CG1 VAL A 56 22.877 25.348 7.116 1.00 9.73 C ATOM 521 CG2 VAL A 56 24.531 27.193 7.511 1.00 9.45 C ATOM 522 H VAL A 56 26.402 25.207 6.568 1.00 0.00 H ATOM 523 N ARG A 57 24.786 27.686 3.899 1.00 8.30 N ATOM 524 CA ARG A 57 25.334 28.899 3.312 1.00 8.41 C ATOM 525 C ARG A 57 24.807 30.099 4.075 1.00 8.22 C ATOM 526 O ARG A 57 23.598 30.224 4.291 1.00 9.13 O ATOM 527 CB ARG A 57 24.912 29.048 1.847 1.00 9.64 C ATOM 528 CG ARG A 57 25.320 27.916 0.930 1.00 11.81 C ATOM 529 CD ARG A 57 25.040 28.080 -0.582 1.00 12.31 C ATOM 530 NE ARG A 57 23.799 28.765 -0.963 1.00 12.25 N ATOM 531 CZ ARG A 57 22.621 28.190 -1.233 1.00 12.07 C ATOM 532 NH1 ARG A 57 21.586 28.953 -1.601 1.00 11.58 N ATOM 533 NH2 ARG A 57 22.458 26.871 -1.155 1.00 12.72 N ATOM 534 HE ARG A 57 23.839 29.802 -1.030 1.00 0.00 H ATOM 535 HH12 ARG A 57 20.667 28.515 -1.813 1.00 0.00 H ATOM 536 HH11 ARG A 57 21.701 29.984 -1.675 1.00 0.00 H ATOM 537 HH22 ARG A 57 21.533 26.448 -1.370 1.00 0.00 H ATOM 538 HH21 ARG A 57 23.256 26.264 -0.879 1.00 0.00 H ATOM 539 H ARG A 57 23.806 27.422 3.673 1.00 0.00 H ATOM 540 N GLN A 58 25.706 31.003 4.440 1.00 8.60 N ATOM 541 CA GLN A 58 25.342 32.200 5.169 1.00 9.08 C ATOM 542 C GLN A 58 25.254 33.397 4.226 1.00 9.06 C ATOM 543 O GLN A 58 26.257 33.778 3.614 1.00 10.43 O ATOM 544 CB GLN A 58 26.389 32.467 6.240 1.00 10.01 C ATOM 545 CG GLN A 58 26.129 33.719 7.029 1.00 11.03 C ATOM 546 CD GLN A 58 27.192 34.001 8.055 1.00 14.19 C ATOM 547 OE1 GLN A 58 27.853 33.092 8.558 1.00 15.75 O ATOM 548 NE2 GLN A 58 27.343 35.270 8.400 1.00 15.88 N ATOM 549 HE22 GLN A 58 26.762 36.005 7.948 1.00 0.00 H ATOM 550 HE21 GLN A 58 28.043 35.533 9.123 1.00 0.00 H ATOM 551 H GLN A 58 26.705 30.847 4.195 1.00 0.00 H ATOM 552 N TYR A 59 24.057 33.974 4.120 1.00 8.49 N ATOM 553 CA TYR A 59 23.807 35.191 3.351 1.00 9.29 C ATOM 554 C TYR A 59 23.519 36.324 4.316 1.00 10.28 C ATOM 555 O TYR A 59 22.807 36.146 5.300 1.00 11.22 O ATOM 556 CB TYR A 59 22.598 35.007 2.433 1.00 9.61 C ATOM 557 CG TYR A 59 22.803 34.015 1.313 1.00 9.69 C ATOM 558 CD1 TYR A 59 22.554 32.660 1.496 1.00 9.74 C ATOM 559 CD2 TYR A 59 23.234 34.435 0.062 1.00 10.35 C ATOM 560 CE1 TYR A 59 22.738 31.755 0.463 1.00 10.52 C ATOM 561 CE2 TYR A 59 23.416 33.543 -0.968 1.00 11.03 C ATOM 562 CZ TYR A 59 23.167 32.206 -0.765 1.00 11.11 C ATOM 563 OH TYR A 59 23.337 31.304 -1.784 1.00 12.55 O ATOM 564 HH TYR A 59 22.741 31.543 -2.537 1.00 0.00 H ATOM 565 H TYR A 59 23.255 33.532 4.613 1.00 0.00 H ATOM 566 N ASP A 60 24.055 37.500 4.031 1.00 12.55 N ATOM 567 CA ASP A 60 23.845 38.625 4.922 1.00 14.18 C ATOM 568 C ASP A 60 22.885 39.662 4.324 1.00 13.54 C ATOM 569 O ASP A 60 22.645 39.703 3.112 1.00 14.22 O ATOM 570 CB ASP A 60 25.185 39.235 5.362 1.00 16.54 C ATOM 571 CG ASP A 60 26.083 38.225 6.088 1.00 17.95 C ATOM 572 OD1 ASP A 60 25.591 37.467 6.957 1.00 18.12 O ATOM 573 OD2 ASP A 60 27.294 38.186 5.783 1.00 19.74 O ATOM 574 H ASP A 60 24.626 37.617 3.170 1.00 0.00 H ATOM 575 N GLN A 61 22.306 40.469 5.201 1.00 13.63 N ATOM 576 CA GLN A 61 21.474 41.599 4.786 1.00 14.57 C ATOM 577 C GLN A 61 20.277 41.174 3.934 1.00 13.14 C ATOM 578 O GLN A 61 19.959 41.807 2.923 1.00 14.64 O ATOM 579 CB GLN A 61 22.311 42.657 4.048 1.00 17.71 C ATOM 580 CG GLN A 61 23.512 43.174 4.839 1.00 20.67 C ATOM 581 CD GLN A 61 23.114 43.901 6.104 1.00 21.84 C ATOM 582 OE1 GLN A 61 21.951 44.256 6.291 1.00 22.37 O ATOM 583 NE2 GLN A 61 24.082 44.129 6.983 1.00 22.34 N ATOM 584 HE22 GLN A 61 25.052 43.811 6.783 1.00 0.00 H ATOM 585 HE21 GLN A 61 23.871 44.626 7.872 1.00 0.00 H ATOM 586 H GLN A 61 22.447 40.294 6.216 1.00 0.00 H ATOM 587 N ILE A 62 19.611 40.108 4.365 1.00 10.91 N ATOM 588 CA ILE A 62 18.446 39.574 3.680 1.00 10.45 C ATOM 589 C ILE A 62 17.177 40.069 4.362 1.00 11.71 C ATOM 590 O ILE A 62 17.054 39.999 5.576 1.00 12.33 O ATOM 591 CB ILE A 62 18.471 38.034 3.702 1.00 10.36 C ATOM 592 CG1 ILE A 62 19.743 37.504 3.025 1.00 10.75 C ATOM 593 CG2 ILE A 62 17.200 37.457 3.090 1.00 10.99 C ATOM 594 CD1 ILE A 62 19.846 37.816 1.557 1.00 11.65 C ATOM 595 H ILE A 62 19.938 39.635 5.231 1.00 0.00 H ATOM 596 N ILE A 63 16.131 40.407 3.618 1.00 11.78 N ATOM 597 CA ILE A 63 14.852 40.735 4.265 1.00 11.24 C ATOM 598 C ILE A 63 13.865 39.564 4.310 1.00 10.55 C ATOM 599 O ILE A 63 13.666 38.880 3.305 1.00 10.89 O ATOM 600 CB ILE A 63 14.183 41.929 3.564 1.00 11.75 C ATOM 601 CG1 ILE A 63 15.126 43.132 3.588 1.00 12.39 C ATOM 602 CG2 ILE A 63 12.835 42.265 4.195 1.00 12.37 C ATOM 603 CD1 ILE A 63 14.686 44.267 2.710 1.00 13.19 C ATOM 604 H ILE A 63 16.216 40.440 2.582 1.00 0.00 H ATOM 605 N ILE A 64 13.265 39.329 5.476 1.00 10.20 N ATOM 606 CA ILE A 64 12.141 38.414 5.576 1.00 10.25 C ATOM 607 C ILE A 64 10.987 39.178 6.184 1.00 11.16 C ATOM 608 O ILE A 64 11.129 39.838 7.196 1.00 11.11 O ATOM 609 CB ILE A 64 12.438 37.178 6.454 1.00 9.87 C ATOM 610 CG1 ILE A 64 13.707 36.467 5.988 1.00 9.99 C ATOM 611 CG2 ILE A 64 11.254 36.218 6.433 1.00 10.26 C ATOM 612 CD1 ILE A 64 13.944 35.139 6.671 1.00 10.17 C ATOM 613 H ILE A 64 13.608 39.810 6.332 1.00 0.00 H ATOM 614 N GLU A 65 9.852 39.140 5.526 1.00 11.87 N ATOM 615 CA GLU A 65 8.613 39.559 6.157 1.00 12.50 C ATOM 616 C GLU A 65 8.086 38.366 6.937 1.00 12.56 C ATOM 617 O GLU A 65 7.834 37.308 6.361 1.00 14.52 O ATOM 618 CB GLU A 65 7.597 40.004 5.115 1.00 14.39 C ATOM 619 CG GLU A 65 6.356 40.637 5.721 1.00 17.49 C ATOM 620 CD GLU A 65 5.314 41.008 4.682 1.00 20.74 C ATOM 621 OE1 GLU A 65 5.555 40.778 3.475 1.00 22.21 O ATOM 622 OE2 GLU A 65 4.251 41.534 5.074 1.00 22.44 O ATOM 623 H GLU A 65 9.840 38.806 4.541 1.00 0.00 H ATOM 624 N ILE A 66 7.943 38.536 8.247 1.00 11.57 N ATOM 625 CA ILE A 66 7.564 37.447 9.131 1.00 11.38 C ATOM 626 C ILE A 66 6.205 37.775 9.722 1.00 12.31 C ATOM 627 O ILE A 66 6.077 38.722 10.494 1.00 12.39 O ATOM 628 CB ILE A 66 8.591 37.298 10.270 1.00 11.11 C ATOM 629 CG1 ILE A 66 9.986 37.042 9.693 1.00 11.66 C ATOM 630 CG2 ILE A 66 8.164 36.200 11.250 1.00 11.44 C ATOM 631 CD1 ILE A 66 11.111 37.376 10.638 1.00 12.18 C ATOM 632 H ILE A 66 8.108 39.479 8.653 1.00 0.00 H ATOM 633 N ALA A 67 5.178 37.019 9.344 1.00 13.63 N ATOM 634 CA ALA A 67 3.825 37.307 9.813 1.00 15.09 C ATOM 635 C ALA A 67 3.499 38.792 9.653 1.00 15.43 C ATOM 636 O ALA A 67 2.904 39.407 10.540 1.00 16.13 O ATOM 637 CB ALA A 67 3.661 36.879 11.263 1.00 15.94 C ATOM 638 H ALA A 67 5.340 36.213 8.707 1.00 0.00 H ATOM 639 N GLY A 68 3.893 39.363 8.519 1.00 15.51 N ATOM 640 CA GLY A 68 3.573 40.745 8.207 1.00 15.82 C ATOM 641 C GLY A 68 4.528 41.786 8.768 1.00 15.73 C ATOM 642 O GLY A 68 4.327 42.983 8.557 1.00 17.57 O ATOM 643 H GLY A 68 4.445 38.805 7.837 1.00 0.00 H ATOM 644 N HIS A 69 5.560 41.342 9.479 1.00 14.10 N ATOM 645 CA HIS A 69 6.534 42.244 10.092 1.00 13.93 C ATOM 646 C HIS A 69 7.872 42.123 9.379 1.00 13.50 C ATOM 647 O HIS A 69 8.454 41.045 9.337 1.00 13.23 O ATOM 648 CB HIS A 69 6.717 41.905 11.574 1.00 14.06 C ATOM 649 CG HIS A 69 5.509 42.188 12.411 1.00 15.35 C ATOM 650 ND1 HIS A 69 5.489 43.169 13.378 1.00 16.29 N ATOM 651 CD2 HIS A 69 4.277 41.625 12.420 1.00 16.33 C ATOM 652 CE1 HIS A 69 4.295 43.203 13.942 1.00 16.61 C ATOM 653 NE2 HIS A 69 3.541 42.275 13.381 1.00 16.97 N ATOM 654 H HIS A 69 5.679 40.316 9.604 1.00 0.00 H ATOM 655 N LYS A 70 8.365 43.226 8.829 1.00 15.03 N ATOM 656 CA LYS A 70 9.619 43.193 8.093 1.00 16.31 C ATOM 657 C LYS A 70 10.842 43.269 8.994 1.00 15.86 C ATOM 658 O LYS A 70 10.843 43.934 10.033 1.00 16.84 O ATOM 659 CB LYS A 70 9.668 44.304 7.041 1.00 18.67 C ATOM 660 CG LYS A 70 8.701 44.096 5.888 1.00 20.68 C ATOM 661 CD LYS A 70 8.868 45.168 4.822 1.00 22.47 C ATOM 662 CE LYS A 70 7.939 44.931 3.643 1.00 24.00 C ATOM 663 NZ LYS A 70 8.136 45.941 2.566 1.00 25.13 N ATOM 664 HZ1 LYS A 70 7.946 46.891 2.944 1.00 0.00 H ATOM 665 HZ2 LYS A 70 9.116 45.893 2.223 1.00 0.00 H ATOM 666 HZ3 LYS A 70 7.483 45.742 1.782 1.00 0.00 H ATOM 667 H LYS A 70 7.849 44.124 8.925 1.00 0.00 H ATOM 668 N ALA A 71 11.887 42.544 8.598 1.00 15.45 N ATOM 669 CA ALA A 71 13.127 42.433 9.365 1.00 14.77 C ATOM 670 C ALA A 71 14.278 42.069 8.426 1.00 13.03 C ATOM 671 O ALA A 71 14.075 41.323 7.465 1.00 12.29 O ATOM 672 CB ALA A 71 12.982 41.378 10.452 1.00 15.33 C ATOM 673 H ALA A 71 11.817 42.030 7.696 1.00 0.00 H ATOM 674 N ILE A 72 15.473 42.604 8.693 1.00 12.02 N ATOM 675 CA ILE A 72 16.635 42.330 7.867 1.00 10.91 C ATOM 676 C ILE A 72 17.700 41.676 8.726 1.00 9.62 C ATOM 677 O ILE A 72 17.865 42.022 9.901 1.00 9.81 O ATOM 678 CB ILE A 72 17.164 43.610 7.161 1.00 12.40 C ATOM 679 CG1 ILE A 72 18.255 43.275 6.134 1.00 13.38 C ATOM 680 CG2 ILE A 72 17.639 44.643 8.177 1.00 13.18 C ATOM 681 CD1 ILE A 72 18.620 44.445 5.228 1.00 14.58 C ATOM 682 H ILE A 72 15.573 43.234 9.515 1.00 0.00 H ATOM 683 N GLY A 73 18.404 40.708 8.154 1.00 9.26 N ATOM 684 CA GLY A 73 19.503 40.105 8.870 1.00 9.55 C ATOM 685 C GLY A 73 20.106 38.968 8.088 1.00 9.41 C ATOM 686 O GLY A 73 19.830 38.775 6.905 1.00 9.91 O ATOM 687 H GLY A 73 18.165 40.385 7.195 1.00 0.00 H ATOM 688 N THR A 74 20.956 38.215 8.759 1.00 9.46 N ATOM 689 CA THR A 74 21.572 37.052 8.163 1.00 9.29 C ATOM 690 C THR A 74 20.548 35.924 8.031 1.00 8.61 C ATOM 691 O THR A 74 19.726 35.700 8.926 1.00 9.20 O ATOM 692 CB THR A 74 22.759 36.624 9.029 1.00 10.79 C ATOM 693 OG1 THR A 74 23.741 37.670 9.002 1.00 12.56 O ATOM 694 CG2 THR A 74 23.371 35.325 8.539 1.00 11.22 C ATOM 695 HG1 THR A 74 24.038 37.818 8.069 1.00 0.00 H ATOM 696 H THR A 74 21.189 38.465 9.741 1.00 0.00 H ATOM 697 N VAL A 75 20.593 35.229 6.901 1.00 8.13 N ATOM 698 CA VAL A 75 19.773 34.049 6.685 1.00 7.91 C ATOM 699 C VAL A 75 20.685 32.936 6.209 1.00 7.46 C ATOM 700 O VAL A 75 21.500 33.124 5.302 1.00 8.13 O ATOM 701 CB VAL A 75 18.634 34.313 5.678 1.00 8.53 C ATOM 702 CG1 VAL A 75 17.892 33.014 5.344 1.00 9.25 C ATOM 703 CG2 VAL A 75 17.678 35.365 6.227 1.00 9.41 C ATOM 704 H VAL A 75 21.236 35.539 6.145 1.00 0.00 H ATOM 705 N LEU A 76 20.546 31.787 6.856 1.00 7.19 N ATOM 706 CA LEU A 76 21.281 30.587 6.501 1.00 7.27 C ATOM 707 C LEU A 76 20.395 29.726 5.606 1.00 7.60 C ATOM 708 O LEU A 76 19.182 29.657 5.813 1.00 8.76 O ATOM 709 CB LEU A 76 21.666 29.814 7.760 1.00 7.71 C ATOM 710 CG LEU A 76 22.322 30.646 8.862 1.00 7.71 C ATOM 711 CD1 LEU A 76 22.656 29.770 10.054 1.00 8.67 C ATOM 712 CD2 LEU A 76 23.566 31.364 8.366 1.00 8.39 C ATOM 713 H LEU A 76 19.880 31.744 7.654 1.00 0.00 H ATOM 714 N VAL A 77 21.006 29.069 4.627 1.00 7.26 N ATOM 715 CA VAL A 77 20.264 28.230 3.695 1.00 7.34 C ATOM 716 C VAL A 77 20.913 26.856 3.661 1.00 7.53 C ATOM 717 O VAL A 77 22.129 26.736 3.470 1.00 7.91 O ATOM 718 CB VAL A 77 20.251 28.839 2.275 1.00 7.91 C ATOM 719 CG1 VAL A 77 19.547 27.901 1.307 1.00 8.52 C ATOM 720 CG2 VAL A 77 19.567 30.194 2.302 1.00 8.61 C ATOM 721 H VAL A 77 22.037 29.155 4.523 1.00 0.00 H ATOM 722 N GLY A 78 20.118 25.808 3.828 1.00 8.09 N ATOM 723 CA GLY A 78 20.670 24.472 3.783 1.00 8.78 C ATOM 724 C GLY A 78 19.643 23.439 4.162 1.00 9.04 C ATOM 725 O GLY A 78 18.444 23.735 4.190 1.00 9.36 O ATOM 726 H GLY A 78 19.100 25.946 3.991 1.00 0.00 H ATOM 727 N PRO A 79 20.100 22.202 4.393 1.00 9.18 N ATOM 728 CA PRO A 79 19.179 21.069 4.516 1.00 8.92 C ATOM 729 C PRO A 79 18.578 20.977 5.910 1.00 9.07 C ATOM 730 O PRO A 79 18.588 19.920 6.548 1.00 9.36 O ATOM 731 CB PRO A 79 20.069 19.867 4.197 1.00 9.05 C ATOM 732 CG PRO A 79 21.421 20.284 4.655 1.00 9.21 C ATOM 733 CD PRO A 79 21.506 21.762 4.340 1.00 9.14 C ATOM 734 N THR A 80 18.030 22.098 6.366 1.00 8.66 N ATOM 735 CA THR A 80 17.318 22.108 7.626 1.00 8.52 C ATOM 736 C THR A 80 16.037 21.284 7.516 1.00 8.69 C ATOM 737 O THR A 80 15.335 21.348 6.509 1.00 8.52 O ATOM 738 CB THR A 80 16.982 23.527 8.087 1.00 8.19 C ATOM 739 OG1 THR A 80 16.315 23.434 9.346 1.00 8.07 O ATOM 740 CG2 THR A 80 16.102 24.285 7.067 1.00 8.43 C ATOM 741 HG1 THR A 80 15.486 22.902 9.241 1.00 0.00 H ATOM 742 H THR A 80 18.113 22.975 5.813 1.00 0.00 H ATOM 743 N PRO A 81 15.733 20.487 8.544 1.00 9.15 N ATOM 744 CA PRO A 81 14.494 19.704 8.482 1.00 9.75 C ATOM 745 C PRO A 81 13.226 20.570 8.462 1.00 9.80 C ATOM 746 O PRO A 81 12.211 20.115 7.935 1.00 11.34 O ATOM 747 CB PRO A 81 14.549 18.862 9.763 1.00 10.44 C ATOM 748 CG PRO A 81 16.006 18.775 10.090 1.00 10.39 C ATOM 749 CD PRO A 81 16.590 20.091 9.676 1.00 9.79 C ATOM 750 N VAL A 82 13.292 21.771 9.048 1.00 9.29 N ATOM 751 CA VAL A 82 12.159 22.701 9.205 1.00 9.89 C ATOM 752 C VAL A 82 12.685 24.123 8.966 1.00 8.82 C ATOM 753 O VAL A 82 13.793 24.450 9.396 1.00 8.70 O ATOM 754 CB VAL A 82 11.545 22.625 10.659 1.00 11.19 C ATOM 755 CG1 VAL A 82 10.510 23.737 10.930 1.00 12.13 C ATOM 756 CG2 VAL A 82 10.945 21.251 10.934 1.00 11.74 C ATOM 757 H VAL A 82 14.215 22.072 9.422 1.00 0.00 H ATOM 758 N ASN A 83 11.920 24.968 8.280 1.00 8.32 N ATOM 759 CA ASN A 83 12.292 26.379 8.170 1.00 8.11 C ATOM 760 C ASN A 83 12.187 27.006 9.554 1.00 7.67 C ATOM 761 O ASN A 83 11.180 26.811 10.234 1.00 7.59 O ATOM 762 CB ASN A 83 11.362 27.128 7.213 1.00 7.83 C ATOM 763 CG ASN A 83 11.479 26.663 5.768 1.00 7.93 C ATOM 764 OD1 ASN A 83 12.572 26.381 5.264 1.00 8.30 O ATOM 765 ND2 ASN A 83 10.339 26.605 5.089 1.00 7.97 N ATOM 766 HD22 ASN A 83 9.443 26.852 5.555 1.00 0.00 H ATOM 767 HD21 ASN A 83 10.343 26.313 4.091 1.00 0.00 H ATOM 768 H ASN A 83 11.053 24.624 7.820 1.00 0.00 H ATOM 769 N ILE A 84 13.206 27.771 9.946 1.00 7.46 N ATOM 770 CA ILE A 84 13.346 28.246 11.323 1.00 7.45 C ATOM 771 C ILE A 84 13.646 29.756 11.361 1.00 7.49 C ATOM 772 O ILE A 84 14.649 30.190 10.786 1.00 7.75 O ATOM 773 CB ILE A 84 14.472 27.449 12.055 1.00 7.38 C ATOM 774 CG1 ILE A 84 14.013 26.011 12.336 1.00 8.14 C ATOM 775 CG2 ILE A 84 14.877 28.159 13.336 1.00 7.85 C ATOM 776 CD1 ILE A 84 15.107 25.070 12.810 1.00 8.92 C ATOM 777 H ILE A 84 13.928 28.040 9.247 1.00 0.00 H ATOM 778 N ILE A 85 12.787 30.545 12.028 1.00 7.82 N ATOM 779 CA ILE A 85 13.109 31.935 12.313 1.00 7.86 C ATOM 780 C ILE A 85 13.723 31.960 13.707 1.00 7.37 C ATOM 781 O ILE A 85 13.065 31.629 14.697 1.00 8.16 O ATOM 782 CB ILE A 85 11.863 32.845 12.287 1.00 8.76 C ATOM 783 CG1 ILE A 85 11.103 32.719 10.958 1.00 9.65 C ATOM 784 CG2 ILE A 85 12.246 34.283 12.588 1.00 9.32 C ATOM 785 CD1 ILE A 85 11.934 32.991 9.732 1.00 10.67 C ATOM 786 H ILE A 85 11.877 30.156 12.346 1.00 0.00 H ATOM 787 N GLY A 86 14.997 32.319 13.764 1.00 6.77 N ATOM 788 CA GLY A 86 15.729 32.340 15.007 1.00 6.80 C ATOM 789 C GLY A 86 15.835 33.725 15.609 1.00 6.53 C ATOM 790 O GLY A 86 15.264 34.713 15.118 1.00 6.90 O ATOM 791 H GLY A 86 15.484 32.594 12.887 1.00 0.00 H ATOM 792 N ARG A 87 16.578 33.807 16.707 1.00 6.64 N ATOM 793 CA ARG A 87 16.591 35.015 17.517 1.00 6.89 C ATOM 794 C ARG A 87 17.061 36.238 16.751 1.00 6.92 C ATOM 795 O ARG A 87 16.613 37.347 17.036 1.00 7.53 O ATOM 796 CB ARG A 87 17.434 34.826 18.778 1.00 7.21 C ATOM 797 CG ARG A 87 16.854 33.814 19.751 1.00 7.48 C ATOM 798 CD ARG A 87 17.586 33.795 21.094 1.00 8.13 C ATOM 799 NE ARG A 87 18.971 33.379 20.944 1.00 8.53 N ATOM 800 CZ ARG A 87 20.029 34.186 20.903 1.00 9.07 C ATOM 801 NH1 ARG A 87 19.914 35.504 21.058 1.00 9.51 N ATOM 802 NH2 ARG A 87 21.233 33.659 20.720 1.00 10.74 N ATOM 803 HE ARG A 87 19.152 32.358 20.861 1.00 0.00 H ATOM 804 HH12 ARG A 87 20.760 36.108 21.021 1.00 0.00 H ATOM 805 HH11 ARG A 87 18.978 35.929 21.216 1.00 0.00 H ATOM 806 HH22 ARG A 87 22.070 34.275 20.685 1.00 0.00 H ATOM 807 HH21 ARG A 87 21.339 32.630 20.611 1.00 0.00 H ATOM 808 H ARG A 87 17.160 32.994 16.992 1.00 0.00 H ATOM 809 N ASN A 88 17.973 36.053 15.805 1.00 7.01 N ATOM 810 CA ASN A 88 18.510 37.195 15.080 1.00 7.34 C ATOM 811 C ASN A 88 17.427 38.013 14.376 1.00 7.53 C ATOM 812 O ASN A 88 17.601 39.211 14.168 1.00 8.15 O ATOM 813 CB ASN A 88 19.591 36.765 14.083 1.00 7.94 C ATOM 814 CG ASN A 88 19.024 36.090 12.858 1.00 7.81 C ATOM 815 OD1 ASN A 88 18.299 35.092 12.963 1.00 8.17 O ATOM 816 ND2 ASN A 88 19.343 36.633 11.685 1.00 8.49 N ATOM 817 HD22 ASN A 88 19.956 37.472 11.650 1.00 0.00 H ATOM 818 HD21 ASN A 88 18.979 36.218 10.804 1.00 0.00 H ATOM 819 H ASN A 88 18.304 35.093 15.582 1.00 0.00 H ATOM 820 N LEU A 89 16.337 37.356 13.980 1.00 7.29 N ATOM 821 CA LEU A 89 15.199 38.041 13.378 1.00 7.64 C ATOM 822 C LEU A 89 14.021 38.208 14.333 1.00 7.39 C ATOM 823 O LEU A 89 13.268 39.173 14.205 1.00 7.86 O ATOM 824 CB LEU A 89 14.760 37.379 12.065 1.00 8.24 C ATOM 825 CG LEU A 89 15.807 37.417 10.958 1.00 10.12 C ATOM 826 CD1 LEU A 89 15.285 36.660 9.743 1.00 11.29 C ATOM 827 CD2 LEU A 89 16.186 38.830 10.565 1.00 12.09 C ATOM 828 H LEU A 89 16.297 36.324 14.104 1.00 0.00 H ATOM 829 N LEU A 90 13.856 37.293 15.291 1.00 7.01 N ATOM 830 CA LEU A 90 12.795 37.469 16.272 1.00 7.42 C ATOM 831 C LEU A 90 12.944 38.784 17.038 1.00 7.34 C ATOM 832 O LEU A 90 11.950 39.448 17.335 1.00 8.07 O ATOM 833 CB LEU A 90 12.749 36.298 17.257 1.00 7.45 C ATOM 834 CG LEU A 90 12.379 34.941 16.652 1.00 7.86 C ATOM 835 CD1 LEU A 90 12.621 33.824 17.657 1.00 8.68 C ATOM 836 CD2 LEU A 90 10.935 34.931 16.170 1.00 9.23 C ATOM 837 H LEU A 90 14.480 36.462 15.336 1.00 0.00 H ATOM 838 N THR A 91 14.175 39.169 17.365 1.00 7.30 N ATOM 839 CA THR A 91 14.360 40.434 18.070 1.00 7.60 C ATOM 840 C THR A 91 13.823 41.595 17.239 1.00 7.70 C ATOM 841 O THR A 91 13.234 42.536 17.770 1.00 8.48 O ATOM 842 CB THR A 91 15.832 40.718 18.371 1.00 7.92 C ATOM 843 OG1 THR A 91 16.561 40.743 17.141 1.00 8.08 O ATOM 844 CG2 THR A 91 16.418 39.713 19.355 1.00 8.20 C ATOM 845 HG1 THR A 91 17.516 40.927 17.328 1.00 0.00 H ATOM 846 H THR A 91 14.994 38.577 17.122 1.00 0.00 H ATOM 847 N GLN A 92 14.043 41.536 15.931 1.00 7.72 N ATOM 848 CA GLN A 92 13.773 42.662 15.053 1.00 8.26 C ATOM 849 C GLN A 92 12.280 42.914 14.896 1.00 8.52 C ATOM 850 O GLN A 92 11.861 44.052 14.682 1.00 10.11 O ATOM 851 CB GLN A 92 14.423 42.430 13.690 1.00 8.59 C ATOM 852 CG GLN A 92 15.932 42.300 13.747 1.00 8.41 C ATOM 853 CD GLN A 92 16.583 43.551 14.296 1.00 8.29 C ATOM 854 OE1 GLN A 92 16.681 44.567 13.599 1.00 8.61 O ATOM 855 NE2 GLN A 92 16.988 43.505 15.559 1.00 8.78 N ATOM 856 HE22 GLN A 92 16.885 42.627 16.106 1.00 0.00 H ATOM 857 HE21 GLN A 92 17.408 44.347 16.001 1.00 0.00 H ATOM 858 H GLN A 92 14.420 40.657 15.522 1.00 0.00 H ATOM 859 N ILE A 93 11.476 41.856 15.002 1.00 8.58 N ATOM 860 CA ILE A 93 10.027 42.004 14.956 1.00 9.17 C ATOM 861 C ILE A 93 9.427 42.251 16.336 1.00 9.30 C ATOM 862 O ILE A 93 8.216 42.362 16.477 1.00 10.70 O ATOM 863 CB ILE A 93 9.328 40.822 14.243 1.00 9.93 C ATOM 864 CG1 ILE A 93 9.422 39.527 15.063 1.00 10.48 C ATOM 865 CG2 ILE A 93 9.916 40.643 12.855 1.00 11.11 C ATOM 866 CD1 ILE A 93 8.614 38.385 14.465 1.00 11.87 C ATOM 867 H ILE A 93 11.890 40.909 15.119 1.00 0.00 H ATOM 868 N GLY A 94 10.281 42.359 17.351 1.00 9.56 N ATOM 869 CA GLY A 94 9.834 42.673 18.697 1.00 10.20 C ATOM 870 C GLY A 94 9.245 41.504 19.464 1.00 9.98 C ATOM 871 O GLY A 94 8.446 41.711 20.380 1.00 11.24 O ATOM 872 H GLY A 94 11.296 42.215 17.176 1.00 0.00 H ATOM 873 N ALA A 95 9.644 40.283 19.115 1.00 9.09 N ATOM 874 CA ALA A 95 9.099 39.095 19.761 1.00 9.18 C ATOM 875 C ALA A 95 9.733 38.841 21.113 1.00 9.42 C ATOM 876 O ALA A 95 10.959 38.855 21.256 1.00 10.35 O ATOM 877 CB ALA A 95 9.270 37.880 18.870 1.00 9.76 C ATOM 878 H ALA A 95 10.358 40.174 18.367 1.00 0.00 H ATOM 879 N THR A 96 8.882 38.579 22.097 1.00 9.54 N ATOM 880 CA THR A 96 9.329 38.212 23.430 1.00 10.23 C ATOM 881 C THR A 96 8.577 36.976 23.906 1.00 9.47 C ATOM 882 O THR A 96 7.498 36.659 23.396 1.00 10.27 O ATOM 883 CB THR A 96 9.102 39.357 24.438 1.00 12.14 C ATOM 884 OG1 THR A 96 7.706 39.687 24.493 1.00 12.92 O ATOM 885 CG2 THR A 96 9.914 40.584 24.050 1.00 13.24 C ATOM 886 HG1 THR A 96 7.400 39.974 23.596 1.00 0.00 H ATOM 887 H THR A 96 7.861 38.638 21.908 1.00 0.00 H ATOM 888 N LEU A 97 9.173 36.274 24.872 1.00 9.38 N ATOM 889 CA LEU A 97 8.502 35.220 25.626 1.00 10.49 C ATOM 890 C LEU A 97 7.942 35.838 26.904 1.00 11.16 C ATOM 891 O LEU A 97 8.611 36.638 27.583 1.00 13.19 O ATOM 892 CB LEU A 97 9.492 34.158 26.077 1.00 11.27 C ATOM 893 CG LEU A 97 9.866 33.162 25.000 1.00 10.38 C ATOM 894 CD1 LEU A 97 11.081 32.376 25.423 1.00 10.65 C ATOM 895 CD2 LEU A 97 8.706 32.230 24.701 1.00 10.77 C ATOM 896 H LEU A 97 10.165 36.489 25.099 1.00 0.00 H ATOM 897 N ASN A 98 6.705 35.491 27.225 1.00 10.92 N ATOM 898 CA ASN A 98 6.049 36.073 28.379 1.00 11.53 C ATOM 899 C ASN A 98 5.339 35.016 29.188 1.00 11.61 C ATOM 900 O ASN A 98 4.637 34.175 28.636 1.00 11.53 O ATOM 901 CB ASN A 98 5.062 37.145 27.938 1.00 12.50 C ATOM 902 CG ASN A 98 5.750 38.302 27.267 1.00 13.49 C ATOM 903 OD1 ASN A 98 6.114 39.287 27.908 1.00 15.41 O ATOM 904 ND2 ASN A 98 5.979 38.170 25.976 1.00 12.96 N ATOM 905 HD22 ASN A 98 5.653 37.319 25.474 1.00 0.00 H ATOM 906 HD21 ASN A 98 6.486 38.916 25.459 1.00 0.00 H ATOM 907 H ASN A 98 6.199 34.793 26.643 1.00 0.00 H ATOM 908 N PHE A 99 5.543 35.052 30.499 1.00 12.32 N ATOM 909 CA PHE A 99 4.820 34.177 31.414 1.00 13.20 C ATOM 910 C PHE A 99 4.799 34.795 32.804 1.00 14.96 C ATOM 911 O PHE A 99 4.339 34.163 33.756 1.00 15.66 O ATOM 912 CB PHE A 99 5.369 32.735 31.424 1.00 13.06 C ATOM 913 CG PHE A 99 6.815 32.612 31.831 1.00 13.50 C ATOM 914 CD1 PHE A 99 7.830 32.790 30.903 1.00 14.59 C ATOM 915 CD2 PHE A 99 7.161 32.269 33.127 1.00 14.38 C ATOM 916 CE1 PHE A 99 9.161 32.653 31.269 1.00 15.70 C ATOM 917 CE2 PHE A 99 8.491 32.133 33.495 1.00 15.71 C ATOM 918 CZ PHE A 99 9.490 32.326 32.563 1.00 16.21 C ATOM 919 OXT PHE A 99 5.226 35.943 32.975 1.00 16.29 O ATOM 920 H PHE A 99 6.238 35.723 30.884 1.00 0.00 H TER 921 PHE A 99 ATOM 922 N PRO B 1 7.636 36.886 33.756 1.00 20.16 N ATOM 923 CA PRO B 1 8.541 37.897 33.209 1.00 19.47 C ATOM 924 C PRO B 1 8.339 38.062 31.715 1.00 17.61 C ATOM 925 O PRO B 1 7.616 37.282 31.092 1.00 16.96 O ATOM 926 CB PRO B 1 9.919 37.287 33.462 1.00 20.86 C ATOM 927 CG PRO B 1 9.683 35.824 33.360 1.00 21.41 C ATOM 928 CD PRO B 1 8.323 35.600 33.973 1.00 21.08 C ATOM 929 HN2 PRO B 1 6.850 36.741 33.090 1.00 0.00 H ATOM 930 HN1 PRO B 1 7.261 37.225 34.665 1.00 0.00 H ATOM 931 N GLN B 2 8.974 39.085 31.159 1.00 17.40 N ATOM 932 CA GLN B 2 9.066 39.251 29.724 1.00 17.52 C ATOM 933 C GLN B 2 10.508 39.020 29.343 1.00 17.27 C ATOM 934 O GLN B 2 11.401 39.762 29.781 1.00 19.57 O ATOM 935 CB GLN B 2 8.645 40.650 29.292 1.00 18.57 C ATOM 936 CG GLN B 2 8.924 40.903 27.820 1.00 20.26 C ATOM 937 CD GLN B 2 8.168 42.091 27.284 1.00 21.90 C ATOM 938 OE1 GLN B 2 8.740 43.158 27.063 1.00 23.66 O ATOM 939 NE2 GLN B 2 6.871 41.915 27.069 1.00 21.96 N ATOM 940 HE22 GLN B 2 6.431 40.995 27.271 1.00 0.00 H ATOM 941 HE21 GLN B 2 6.294 42.697 26.699 1.00 0.00 H ATOM 942 H GLN B 2 9.422 39.793 31.776 1.00 0.00 H ATOM 943 N ILE B 3 10.732 37.987 28.541 1.00 14.76 N ATOM 944 CA ILE B 3 12.077 37.640 28.154 1.00 14.24 C ATOM 945 C ILE B 3 12.314 38.037 26.705 1.00 12.69 C ATOM 946 O ILE B 3 11.642 37.553 25.790 1.00 12.27 O ATOM 947 CB ILE B 3 12.338 36.152 28.385 1.00 15.13 C ATOM 948 CG1 ILE B 3 12.145 35.842 29.872 1.00 16.94 C ATOM 949 CG2 ILE B 3 13.737 35.787 27.934 1.00 15.13 C ATOM 950 CD1 ILE B 3 12.304 34.401 30.220 1.00 17.63 C ATOM 951 H ILE B 3 9.932 37.424 28.189 1.00 0.00 H ATOM 952 N THR B 4 13.256 38.950 26.513 1.00 12.55 N ATOM 953 CA THR B 4 13.641 39.378 25.180 1.00 11.87 C ATOM 954 C THR B 4 14.643 38.372 24.618 1.00 10.84 C ATOM 955 O THR B 4 15.104 37.477 25.330 1.00 11.75 O ATOM 956 CB THR B 4 14.239 40.787 25.210 1.00 13.38 C ATOM 957 OG1 THR B 4 15.432 40.767 25.997 1.00 13.63 O ATOM 958 CG2 THR B 4 13.239 41.777 25.803 1.00 15.16 C ATOM 959 HG1 THR B 4 15.214 40.476 26.918 1.00 0.00 H ATOM 960 H THR B 4 13.731 39.370 27.337 1.00 0.00 H ATOM 961 N LEU B 5 14.981 38.515 23.343 1.00 9.39 N ATOM 962 CA LEU B 5 15.697 37.452 22.652 1.00 8.50 C ATOM 963 C LEU B 5 17.043 37.910 22.095 1.00 7.99 C ATOM 964 O LEU B 5 17.632 37.248 21.242 1.00 8.14 O ATOM 965 CB LEU B 5 14.796 36.834 21.582 1.00 8.34 C ATOM 966 CG LEU B 5 13.557 36.137 22.158 1.00 8.65 C ATOM 967 CD1 LEU B 5 12.579 35.827 21.048 1.00 9.02 C ATOM 968 CD2 LEU B 5 13.923 34.868 22.927 1.00 9.54 C ATOM 969 H LEU B 5 14.734 39.389 22.836 1.00 0.00 H ATOM 970 N TRP B 6 17.543 39.028 22.622 1.00 8.26 N ATOM 971 CA TRP B 6 18.865 39.524 22.251 1.00 8.87 C ATOM 972 C TRP B 6 19.953 38.552 22.698 1.00 8.98 C ATOM 973 O TRP B 6 21.002 38.454 22.062 1.00 10.98 O ATOM 974 CB TRP B 6 19.097 40.930 22.827 1.00 9.44 C ATOM 975 CG TRP B 6 17.987 41.866 22.444 1.00 9.29 C ATOM 976 CD1 TRP B 6 16.907 42.207 23.205 1.00 10.20 C ATOM 977 CD2 TRP B 6 17.810 42.530 21.184 1.00 9.09 C ATOM 978 NE1 TRP B 6 16.075 43.043 22.506 1.00 10.56 N ATOM 979 CE2 TRP B 6 16.607 43.253 21.261 1.00 9.69 C ATOM 980 CE3 TRP B 6 18.560 42.597 20.006 1.00 8.67 C ATOM 981 CZ2 TRP B 6 16.142 44.041 20.213 1.00 9.98 C ATOM 982 CZ3 TRP B 6 18.096 43.388 18.966 1.00 9.04 C ATOM 983 CH2 TRP B 6 16.898 44.093 19.079 1.00 9.43 C ATOM 984 HE1 TRP B 6 15.187 43.450 22.862 1.00 0.00 H ATOM 985 H TRP B 6 16.978 39.560 23.314 1.00 0.00 H ATOM 986 N LYS B 7 19.689 37.873 23.814 1.00 8.72 N ATOM 987 CA LYS B 7 20.538 36.812 24.339 1.00 9.34 C ATOM 988 C LYS B 7 19.734 35.518 24.319 1.00 7.84 C ATOM 989 O LYS B 7 18.518 35.528 24.115 1.00 7.72 O ATOM 990 CB LYS B 7 20.969 37.128 25.776 1.00 12.05 C ATOM 991 CG LYS B 7 21.656 38.476 25.940 1.00 14.24 C ATOM 992 CD LYS B 7 22.036 38.745 27.387 1.00 16.44 C ATOM 993 CE LYS B 7 22.839 40.031 27.506 1.00 18.31 C ATOM 994 NZ LYS B 7 23.133 40.398 28.919 1.00 19.46 N ATOM 995 HZ1 LYS B 7 22.240 40.531 29.434 1.00 0.00 H ATOM 996 HZ2 LYS B 7 23.682 39.637 29.366 1.00 0.00 H ATOM 997 HZ3 LYS B 7 23.682 41.281 28.940 1.00 0.00 H ATOM 998 H LYS B 7 18.826 38.115 24.341 1.00 0.00 H ATOM 999 N ARG B 8 20.402 34.399 24.560 1.00 7.74 N ATOM 1000 CA ARG B 8 19.685 33.135 24.679 1.00 7.63 C ATOM 1001 C ARG B 8 18.759 33.169 25.884 1.00 7.82 C ATOM 1002 O ARG B 8 19.147 33.645 26.950 1.00 8.40 O ATOM 1003 CB ARG B 8 20.668 31.978 24.821 1.00 8.22 C ATOM 1004 CG ARG B 8 21.419 31.691 23.547 1.00 8.78 C ATOM 1005 CD ARG B 8 22.509 30.666 23.724 1.00 9.73 C ATOM 1006 NE ARG B 8 23.067 30.307 22.428 1.00 10.49 N ATOM 1007 CZ ARG B 8 24.148 29.557 22.265 1.00 12.82 C ATOM 1008 NH1 ARG B 8 24.800 29.096 23.321 1.00 13.70 N ATOM 1009 NH2 ARG B 8 24.581 29.270 21.048 1.00 13.94 N ATOM 1010 HE ARG B 8 22.587 30.661 21.576 1.00 0.00 H ATOM 1011 HH12 ARG B 8 25.648 28.508 23.193 1.00 0.00 H ATOM 1012 HH11 ARG B 8 24.464 29.322 24.279 1.00 0.00 H ATOM 1013 HH22 ARG B 8 25.429 28.681 20.923 1.00 0.00 H ATOM 1014 HH21 ARG B 8 24.073 29.633 20.216 1.00 0.00 H ATOM 1015 H ARG B 8 21.437 34.422 24.664 1.00 0.00 H ATOM 1016 N PRO B 9 17.533 32.641 25.735 1.00 7.79 N ATOM 1017 CA PRO B 9 16.588 32.674 26.859 1.00 8.12 C ATOM 1018 C PRO B 9 16.850 31.547 27.858 1.00 8.01 C ATOM 1019 O PRO B 9 16.086 30.580 27.985 1.00 8.30 O ATOM 1020 CB PRO B 9 15.228 32.533 26.173 1.00 9.04 C ATOM 1021 CG PRO B 9 15.532 31.725 24.960 1.00 9.32 C ATOM 1022 CD PRO B 9 16.875 32.232 24.481 1.00 8.64 C ATOM 1023 N LEU B 10 17.955 31.707 28.578 1.00 8.92 N ATOM 1024 CA LEU B 10 18.382 30.755 29.587 1.00 9.39 C ATOM 1025 C LEU B 10 17.744 31.086 30.919 1.00 9.44 C ATOM 1026 O LEU B 10 17.671 32.250 31.315 1.00 11.35 O ATOM 1027 CB LEU B 10 19.909 30.767 29.715 1.00 11.26 C ATOM 1028 CG LEU B 10 20.682 30.322 28.467 1.00 13.47 C ATOM 1029 CD1 LEU B 10 22.162 30.648 28.606 1.00 15.10 C ATOM 1030 CD2 LEU B 10 20.494 28.831 28.191 1.00 14.47 C ATOM 1031 H LEU B 10 18.539 32.551 28.411 1.00 0.00 H ATOM 1032 N VAL B 11 17.276 30.050 31.599 1.00 8.49 N ATOM 1033 CA VAL B 11 16.718 30.170 32.932 1.00 8.59 C ATOM 1034 C VAL B 11 17.292 29.075 33.811 1.00 8.15 C ATOM 1035 O VAL B 11 17.909 28.121 33.330 1.00 9.20 O ATOM 1036 CB VAL B 11 15.178 30.057 32.920 1.00 10.12 C ATOM 1037 CG1 VAL B 11 14.558 31.161 32.069 1.00 11.77 C ATOM 1038 CG2 VAL B 11 14.733 28.689 32.447 1.00 11.46 C ATOM 1039 H VAL B 11 17.310 29.109 31.157 1.00 0.00 H ATOM 1040 N THR B 12 17.072 29.209 35.109 1.00 8.26 N ATOM 1041 CA THR B 12 17.386 28.147 36.039 1.00 8.35 C ATOM 1042 C THR B 12 16.152 27.284 36.248 1.00 7.84 C ATOM 1043 O THR B 12 15.034 27.800 36.421 1.00 8.88 O ATOM 1044 CB THR B 12 17.873 28.728 37.372 1.00 10.34 C ATOM 1045 OG1 THR B 12 19.007 29.573 37.126 1.00 12.36 O ATOM 1046 CG2 THR B 12 18.266 27.615 38.330 1.00 11.36 C ATOM 1047 HG1 THR B 12 19.730 29.040 36.709 1.00 0.00 H ATOM 1048 H THR B 12 16.665 30.096 35.468 1.00 0.00 H ATOM 1049 N ILE B 13 16.370 25.974 36.229 1.00 7.57 N ATOM 1050 CA ILE B 13 15.345 24.995 36.540 1.00 7.73 C ATOM 1051 C ILE B 13 15.768 24.210 37.775 1.00 7.57 C ATOM 1052 O ILE B 13 16.940 24.231 38.171 1.00 8.22 O ATOM 1053 CB ILE B 13 15.087 24.029 35.351 1.00 7.87 C ATOM 1054 CG1 ILE B 13 16.300 23.132 35.074 1.00 8.35 C ATOM 1055 CG2 ILE B 13 14.729 24.845 34.114 1.00 8.44 C ATOM 1056 CD1 ILE B 13 16.027 21.976 34.110 1.00 8.85 C ATOM 1057 H ILE B 13 17.321 25.634 35.979 1.00 0.00 H ATOM 1058 N LYS B 14 14.811 23.525 38.387 1.00 7.93 N ATOM 1059 CA LYS B 14 15.117 22.617 39.483 1.00 7.98 C ATOM 1060 C LYS B 14 14.462 21.286 39.192 1.00 7.97 C ATOM 1061 O LYS B 14 13.251 21.209 38.934 1.00 8.53 O ATOM 1062 CB LYS B 14 14.642 23.152 40.831 1.00 8.12 C ATOM 1063 CG LYS B 14 15.054 22.248 41.992 1.00 8.51 C ATOM 1064 CD LYS B 14 14.930 22.903 43.359 1.00 8.94 C ATOM 1065 CE LYS B 14 13.516 23.284 43.700 1.00 9.48 C ATOM 1066 NZ LYS B 14 13.440 23.768 45.123 1.00 10.15 N ATOM 1067 HZ1 LYS B 14 13.754 23.011 45.763 1.00 0.00 H ATOM 1068 HZ2 LYS B 14 14.055 24.598 45.239 1.00 0.00 H ATOM 1069 HZ3 LYS B 14 12.458 24.028 45.347 1.00 0.00 H ATOM 1070 H LYS B 14 13.824 23.639 38.078 1.00 0.00 H ATOM 1071 N ILE B 15 15.288 20.241 39.146 1.00 9.26 N ATOM 1072 CA ILE B 15 14.824 18.863 39.026 1.00 10.74 C ATOM 1073 C ILE B 15 15.580 18.059 40.047 1.00 11.97 C ATOM 1074 O ILE B 15 16.766 18.285 40.280 1.00 11.42 O ATOM 1075 CB ILE B 15 15.166 18.217 37.673 1.00 11.77 C ATOM 1076 CG1 ILE B 15 14.636 19.043 36.516 1.00 12.18 C ATOM 1077 CG2 ILE B 15 14.594 16.797 37.580 1.00 11.89 C ATOM 1078 CD1 ILE B 15 15.024 18.475 35.179 1.00 12.12 C ATOM 1079 H ILE B 15 16.312 20.416 39.198 1.00 0.00 H ATOM 1080 N GLY B 16 14.900 17.098 40.646 1.00 13.58 N ATOM 1081 CA GLY B 16 15.552 16.221 41.599 1.00 15.48 C ATOM 1082 C GLY B 16 16.306 16.972 42.684 1.00 15.47 C ATOM 1083 O GLY B 16 17.325 16.497 43.180 1.00 16.64 O ATOM 1084 H GLY B 16 13.890 16.970 40.433 1.00 0.00 H ATOM 1085 N GLY B 17 15.811 18.146 43.062 1.00 14.51 N ATOM 1086 CA GLY B 17 16.429 18.942 44.110 1.00 13.34 C ATOM 1087 C GLY B 17 17.664 19.717 43.687 1.00 12.03 C ATOM 1088 O GLY B 17 18.310 20.363 44.520 1.00 12.46 O ATOM 1089 H GLY B 17 14.955 18.506 42.594 1.00 0.00 H ATOM 1090 N GLN B 18 17.985 19.667 42.397 1.00 10.75 N ATOM 1091 CA GLN B 18 19.203 20.265 41.883 1.00 11.21 C ATOM 1092 C GLN B 18 18.882 21.363 40.888 1.00 9.54 C ATOM 1093 O GLN B 18 17.991 21.217 40.048 1.00 9.97 O ATOM 1094 CB GLN B 18 20.055 19.196 41.200 1.00 15.42 C ATOM 1095 CG GLN B 18 20.498 18.075 42.132 1.00 19.45 C ATOM 1096 CD GLN B 18 21.083 16.884 41.394 1.00 22.91 C ATOM 1097 OE1 GLN B 18 21.214 16.893 40.167 1.00 24.36 O ATOM 1098 NE2 GLN B 18 21.436 15.845 42.141 1.00 24.21 N ATOM 1099 HE22 GLN B 18 21.308 15.879 43.173 1.00 0.00 H ATOM 1100 HE21 GLN B 18 21.840 14.997 41.695 1.00 0.00 H ATOM 1101 H GLN B 18 17.343 19.184 41.736 1.00 0.00 H ATOM 1102 N LEU B 19 19.636 22.452 40.965 1.00 9.32 N ATOM 1103 CA LEU B 19 19.504 23.539 40.008 1.00 9.15 C ATOM 1104 C LEU B 19 20.320 23.251 38.758 1.00 9.49 C ATOM 1105 O LEU B 19 21.448 22.766 38.841 1.00 10.67 O ATOM 1106 CB LEU B 19 19.969 24.856 40.617 1.00 9.49 C ATOM 1107 CG LEU B 19 19.229 25.314 41.874 1.00 9.93 C ATOM 1108 CD1 LEU B 19 19.749 26.665 42.314 1.00 10.95 C ATOM 1109 CD2 LEU B 19 17.721 25.349 41.667 1.00 10.27 C ATOM 1110 H LEU B 19 20.338 22.530 41.728 1.00 0.00 H ATOM 1111 N LYS B 20 19.735 23.557 37.604 1.00 8.68 N ATOM 1112 CA LYS B 20 20.407 23.418 36.320 1.00 8.66 C ATOM 1113 C LYS B 20 20.028 24.610 35.453 1.00 8.03 C ATOM 1114 O LYS B 20 19.002 25.242 35.676 1.00 9.30 O ATOM 1115 CB LYS B 20 19.974 22.129 35.604 1.00 9.53 C ATOM 1116 CG LYS B 20 20.256 20.838 36.356 1.00 12.10 C ATOM 1117 CD LYS B 20 19.626 19.641 35.639 1.00 15.14 C ATOM 1118 CE LYS B 20 19.762 18.349 36.423 1.00 17.35 C ATOM 1119 NZ LYS B 20 21.116 17.763 36.291 1.00 18.66 N ATOM 1120 HZ1 LYS B 20 21.308 17.559 35.289 1.00 0.00 H ATOM 1121 HZ2 LYS B 20 21.821 18.438 36.650 1.00 0.00 H ATOM 1122 HZ3 LYS B 20 21.166 16.882 36.842 1.00 0.00 H ATOM 1123 H LYS B 20 18.757 23.910 37.619 1.00 0.00 H ATOM 1124 N GLU B 21 20.838 24.887 34.435 1.00 8.56 N ATOM 1125 CA GLU B 21 20.507 25.901 33.442 1.00 9.04 C ATOM 1126 C GLU B 21 19.795 25.242 32.266 1.00 7.95 C ATOM 1127 O GLU B 21 20.181 24.153 31.844 1.00 8.61 O ATOM 1128 CB GLU B 21 21.788 26.575 32.954 1.00 10.89 C ATOM 1129 CG GLU B 21 21.606 27.632 31.881 1.00 14.58 C ATOM 1130 CD GLU B 21 22.928 28.228 31.430 1.00 17.44 C ATOM 1131 OE1 GLU B 21 23.396 29.178 32.086 1.00 19.19 O ATOM 1132 OE2 GLU B 21 23.506 27.741 30.432 1.00 18.34 O ATOM 1133 H GLU B 21 21.733 24.365 34.345 1.00 0.00 H ATOM 1134 N ALA B 22 18.775 25.902 31.731 1.00 7.68 N ATOM 1135 CA ALA B 22 18.081 25.372 30.567 1.00 7.56 C ATOM 1136 C ALA B 22 17.606 26.505 29.677 1.00 7.84 C ATOM 1137 O ALA B 22 17.490 27.655 30.100 1.00 9.95 O ATOM 1138 CB ALA B 22 16.909 24.501 30.980 1.00 7.88 C ATOM 1139 H ALA B 22 18.470 26.805 32.147 1.00 0.00 H ATOM 1140 N LEU B 23 17.246 26.160 28.456 1.00 7.75 N ATOM 1141 CA LEU B 23 16.856 27.158 27.486 1.00 7.65 C ATOM 1142 C LEU B 23 15.382 27.012 27.112 1.00 6.90 C ATOM 1143 O LEU B 23 14.937 25.932 26.717 1.00 7.13 O ATOM 1144 CB LEU B 23 17.749 27.006 26.264 1.00 8.68 C ATOM 1145 CG LEU B 23 17.776 28.151 25.264 1.00 8.80 C ATOM 1146 CD1 LEU B 23 19.109 28.174 24.543 1.00 9.30 C ATOM 1147 CD2 LEU B 23 16.631 28.014 24.285 1.00 9.05 C ATOM 1148 H LEU B 23 17.243 25.155 28.187 1.00 0.00 H ATOM 1149 N LEU B 24 14.629 28.103 27.235 1.00 6.36 N ATOM 1150 CA LEU B 24 13.237 28.125 26.811 1.00 6.56 C ATOM 1151 C LEU B 24 13.216 28.043 25.291 1.00 6.12 C ATOM 1152 O LEU B 24 13.742 28.934 24.610 1.00 6.35 O ATOM 1153 CB LEU B 24 12.557 29.405 27.289 1.00 7.20 C ATOM 1154 CG LEU B 24 12.679 29.691 28.788 1.00 7.72 C ATOM 1155 CD1 LEU B 24 12.051 31.033 29.111 1.00 7.69 C ATOM 1156 CD2 LEU B 24 12.042 28.585 29.619 1.00 7.96 C ATOM 1157 H LEU B 24 15.047 28.963 27.645 1.00 0.00 H ATOM 1158 N ASP B 25 12.626 26.971 24.766 1.00 5.41 N ATOM 1159 CA ASP B 25 12.810 26.603 23.367 1.00 5.67 C ATOM 1160 C ASP B 25 11.466 26.359 22.683 1.00 5.80 C ATOM 1161 O ASP B 25 10.911 25.259 22.752 1.00 5.66 O ATOM 1162 CB ASP B 25 13.686 25.348 23.286 1.00 5.75 C ATOM 1163 CG ASP B 25 14.221 25.097 21.890 1.00 5.96 C ATOM 1164 OD1 ASP B 25 13.585 25.570 20.925 1.00 6.16 O ATOM 1165 OD2 ASP B 25 15.265 24.418 21.748 1.00 5.70 O ATOM 1166 H ASP B 25 12.018 26.381 25.369 1.00 0.00 H ATOM 1167 N THR B 26 10.943 27.383 22.014 1.00 6.26 N ATOM 1168 CA THR B 26 9.654 27.250 21.356 1.00 6.49 C ATOM 1169 C THR B 26 9.688 26.336 20.132 1.00 6.38 C ATOM 1170 O THR B 26 8.622 25.945 19.646 1.00 6.95 O ATOM 1171 CB THR B 26 9.083 28.615 20.944 1.00 6.82 C ATOM 1172 OG1 THR B 26 10.010 29.263 20.066 1.00 6.50 O ATOM 1173 CG2 THR B 26 8.856 29.502 22.152 1.00 7.51 C ATOM 1174 HG1 THR B 26 10.148 28.702 19.262 1.00 0.00 H ATOM 1175 H THR B 26 11.460 28.284 21.962 1.00 0.00 H ATOM 1176 N GLY B 27 10.886 26.014 19.632 1.00 6.52 N ATOM 1177 CA GLY B 27 11.022 25.062 18.542 1.00 6.44 C ATOM 1178 C GLY B 27 11.038 23.604 18.964 1.00 6.41 C ATOM 1179 O GLY B 27 11.046 22.721 18.099 1.00 7.36 O ATOM 1180 H GLY B 27 11.739 26.454 20.032 1.00 0.00 H ATOM 1181 N ALA B 28 11.039 23.342 20.270 1.00 6.32 N ATOM 1182 CA ALA B 28 11.090 21.983 20.794 1.00 6.40 C ATOM 1183 C ALA B 28 9.701 21.556 21.240 1.00 6.49 C ATOM 1184 O ALA B 28 9.089 22.220 22.075 1.00 7.06 O ATOM 1185 CB ALA B 28 12.053 21.920 21.954 1.00 7.12 C ATOM 1186 H ALA B 28 11.002 24.136 20.940 1.00 0.00 H ATOM 1187 N ASP B 29 9.181 20.459 20.700 1.00 6.97 N ATOM 1188 CA ASP B 29 7.859 20.017 21.137 1.00 7.65 C ATOM 1189 C ASP B 29 7.945 19.556 22.588 1.00 7.99 C ATOM 1190 O ASP B 29 7.060 19.832 23.399 1.00 8.65 O ATOM 1191 CB ASP B 29 7.329 18.865 20.274 1.00 8.48 C ATOM 1192 CG ASP B 29 7.245 19.209 18.793 1.00 9.53 C ATOM 1193 OD1 ASP B 29 6.954 20.372 18.450 1.00 9.16 O ATOM 1194 OD2 ASP B 29 7.463 18.295 17.970 1.00 11.19 O ATOM 1195 H ASP B 29 9.706 19.924 19.979 1.00 0.00 H ATOM 1196 N ASP B 30 9.037 18.858 22.893 1.00 8.04 N ATOM 1197 CA ASP B 30 9.248 18.196 24.173 1.00 7.54 C ATOM 1198 C ASP B 30 10.472 18.784 24.880 1.00 7.00 C ATOM 1199 O ASP B 30 11.265 19.508 24.275 1.00 6.74 O ATOM 1200 CB ASP B 30 9.451 16.693 23.947 1.00 7.95 C ATOM 1201 CG ASP B 30 8.292 16.048 23.214 1.00 8.87 C ATOM 1202 OD1 ASP B 30 8.535 15.166 22.353 1.00 9.27 O ATOM 1203 OD2 ASP B 30 7.139 16.431 23.510 1.00 9.51 O ATOM 1204 H ASP B 30 9.784 18.781 22.174 1.00 0.00 H ATOM 1205 N THR B 31 10.615 18.454 26.161 1.00 7.33 N ATOM 1206 CA THR B 31 11.730 18.919 26.979 1.00 7.42 C ATOM 1207 C THR B 31 12.834 17.867 26.995 1.00 6.53 C ATOM 1208 O THR B 31 12.560 16.682 27.197 1.00 6.89 O ATOM 1209 CB THR B 31 11.257 19.219 28.417 1.00 8.29 C ATOM 1210 OG1 THR B 31 10.233 20.220 28.376 1.00 8.65 O ATOM 1211 CG2 THR B 31 12.410 19.710 29.283 1.00 8.67 C ATOM 1212 HG1 THR B 31 9.471 19.889 27.837 1.00 0.00 H ATOM 1213 H THR B 31 9.901 17.838 26.598 1.00 0.00 H ATOM 1214 N VAL B 32 14.073 18.295 26.759 1.00 6.56 N ATOM 1215 CA VAL B 32 15.198 17.369 26.706 1.00 6.59 C ATOM 1216 C VAL B 32 16.317 17.868 27.600 1.00 6.78 C ATOM 1217 O VAL B 32 16.738 19.020 27.495 1.00 7.07 O ATOM 1218 CB VAL B 32 15.752 17.208 25.279 1.00 6.29 C ATOM 1219 CG1 VAL B 32 16.608 15.958 25.201 1.00 7.57 C ATOM 1220 CG2 VAL B 32 14.628 17.117 24.276 1.00 6.70 C ATOM 1221 H VAL B 32 14.241 19.310 26.609 1.00 0.00 H ATOM 1222 N ILE B 33 16.796 16.996 28.479 1.00 7.60 N ATOM 1223 CA ILE B 33 17.906 17.345 29.353 1.00 8.62 C ATOM 1224 C ILE B 33 19.048 16.346 29.243 1.00 8.44 C ATOM 1225 O ILE B 33 18.875 15.221 28.765 1.00 8.18 O ATOM 1226 CB ILE B 33 17.471 17.483 30.822 1.00 9.99 C ATOM 1227 CG1 ILE B 33 16.965 16.151 31.360 1.00 11.04 C ATOM 1228 CG2 ILE B 33 16.403 18.560 30.973 1.00 10.34 C ATOM 1229 CD1 ILE B 33 16.415 16.276 32.721 1.00 12.36 C ATOM 1230 H ILE B 33 16.371 16.049 28.544 1.00 0.00 H ATOM 1231 N GLU B 34 20.220 16.792 29.680 1.00 9.71 N ATOM 1232 CA GLU B 34 21.428 15.985 29.699 1.00 11.37 C ATOM 1233 C GLU B 34 21.294 14.837 30.688 1.00 11.11 C ATOM 1234 O GLU B 34 20.395 14.823 31.526 1.00 11.22 O ATOM 1235 CB GLU B 34 22.600 16.860 30.130 1.00 13.20 C ATOM 1236 CG GLU B 34 22.461 17.343 31.565 1.00 14.59 C ATOM 1237 CD GLU B 34 22.997 18.745 31.778 1.00 15.33 C ATOM 1238 OE1 GLU B 34 23.715 19.256 30.894 1.00 15.56 O ATOM 1239 OE2 GLU B 34 22.692 19.344 32.831 1.00 15.08 O ATOM 1240 H GLU B 34 20.276 17.771 30.027 1.00 0.00 H ATOM 1241 N GLU B 35 22.222 13.889 30.605 1.00 11.09 N ATOM 1242 CA GLU B 35 22.188 12.699 31.445 1.00 11.13 C ATOM 1243 C GLU B 35 22.110 13.014 32.932 1.00 12.04 C ATOM 1244 O GLU B 35 22.922 13.768 33.470 1.00 12.34 O ATOM 1245 CB GLU B 35 23.400 11.808 31.168 1.00 10.89 C ATOM 1246 CG GLU B 35 23.400 10.519 31.981 1.00 10.75 C ATOM 1247 CD GLU B 35 22.171 9.658 31.712 1.00 11.53 C ATOM 1248 OE1 GLU B 35 21.752 9.550 30.537 1.00 12.31 O ATOM 1249 OE2 GLU B 35 21.619 9.089 32.676 1.00 12.36 O ATOM 1250 H GLU B 35 22.996 14.000 29.919 1.00 0.00 H ATOM 1251 N MET B 36 21.129 12.405 33.588 1.00 12.94 N ATOM 1252 CA MET B 36 20.915 12.573 35.014 1.00 14.08 C ATOM 1253 C MET B 36 20.044 11.419 35.468 1.00 14.37 C ATOM 1254 O MET B 36 19.490 10.692 34.644 1.00 15.15 O ATOM 1255 CB MET B 36 20.202 13.888 35.320 1.00 15.92 C ATOM 1256 CG MET B 36 18.776 13.948 34.792 1.00 17.88 C ATOM 1257 SD MET B 36 17.849 15.359 35.431 1.00 19.63 S ATOM 1258 CE MET B 36 17.861 15.017 37.187 1.00 20.35 C ATOM 1259 H MET B 36 20.487 11.782 33.058 1.00 0.00 H ATOM 1260 N SER B 37 19.908 11.270 36.778 1.00 15.29 N ATOM 1261 CA SER B 37 19.086 10.217 37.353 1.00 15.94 C ATOM 1262 C SER B 37 17.668 10.710 37.637 1.00 14.80 C ATOM 1263 O SER B 37 17.479 11.720 38.315 1.00 15.83 O ATOM 1264 CB SER B 37 19.731 9.709 38.639 1.00 18.08 C ATOM 1265 OG SER B 37 18.858 8.851 39.344 1.00 18.15 O ATOM 1266 HG SER B 37 18.031 9.343 39.578 1.00 0.00 H ATOM 1267 H SER B 37 20.404 11.926 37.414 1.00 0.00 H ATOM 1268 N LEU B 38 16.679 10.006 37.092 1.00 13.93 N ATOM 1269 CA LEU B 38 15.279 10.273 37.396 1.00 13.44 C ATOM 1270 C LEU B 38 14.629 8.994 37.881 1.00 13.59 C ATOM 1271 O LEU B 38 15.055 7.899 37.507 1.00 14.43 O ATOM 1272 CB LEU B 38 14.544 10.798 36.163 1.00 12.96 C ATOM 1273 CG LEU B 38 14.910 12.219 35.753 1.00 13.40 C ATOM 1274 CD1 LEU B 38 14.131 12.598 34.512 1.00 13.40 C ATOM 1275 CD2 LEU B 38 14.635 13.215 36.882 1.00 14.34 C ATOM 1276 H LEU B 38 16.913 9.241 36.428 1.00 0.00 H ATOM 1277 N PRO B 39 13.583 9.128 38.700 1.00 14.20 N ATOM 1278 CA PRO B 39 12.931 7.953 39.270 1.00 14.53 C ATOM 1279 C PRO B 39 11.983 7.313 38.290 1.00 14.34 C ATOM 1280 O PRO B 39 11.487 7.972 37.373 1.00 14.73 O ATOM 1281 CB PRO B 39 12.132 8.539 40.433 1.00 15.36 C ATOM 1282 CG PRO B 39 11.820 9.942 40.000 1.00 15.81 C ATOM 1283 CD PRO B 39 13.032 10.387 39.237 1.00 15.06 C ATOM 1284 N GLY B 40 11.734 6.029 38.505 1.00 14.03 N ATOM 1285 CA GLY B 40 10.677 5.337 37.808 1.00 13.60 C ATOM 1286 C GLY B 40 11.111 4.658 36.530 1.00 12.72 C ATOM 1287 O GLY B 40 12.294 4.548 36.211 1.00 14.64 O ATOM 1288 H GLY B 40 12.315 5.508 39.193 1.00 0.00 H ATOM 1289 N ARG B 41 10.127 4.178 35.792 1.00 11.51 N ATOM 1290 CA ARG B 41 10.406 3.531 34.530 1.00 10.91 C ATOM 1291 C ARG B 41 10.446 4.552 33.415 1.00 10.67 C ATOM 1292 O ARG B 41 9.872 5.636 33.510 1.00 12.56 O ATOM 1293 CB ARG B 41 9.368 2.463 34.245 1.00 11.75 C ATOM 1294 CG ARG B 41 9.509 1.289 35.190 1.00 12.00 C ATOM 1295 CD ARG B 41 8.500 0.222 34.934 1.00 12.32 C ATOM 1296 NE ARG B 41 8.612 -0.340 33.594 1.00 11.98 N ATOM 1297 CZ ARG B 41 9.434 -1.333 33.254 1.00 10.23 C ATOM 1298 NH1 ARG B 41 10.249 -1.885 34.142 1.00 9.37 N ATOM 1299 NH2 ARG B 41 9.434 -1.793 32.012 1.00 10.97 N ATOM 1300 HE ARG B 41 8.007 0.062 32.850 1.00 0.00 H ATOM 1301 HH12 ARG B 41 10.882 -2.659 33.856 1.00 0.00 H ATOM 1302 HH11 ARG B 41 10.255 -1.544 35.125 1.00 0.00 H ATOM 1303 HH22 ARG B 41 10.074 -2.568 31.744 1.00 0.00 H ATOM 1304 HH21 ARG B 41 8.794 -1.380 31.304 1.00 0.00 H ATOM 1305 H ARG B 41 9.144 4.266 36.121 1.00 0.00 H ATOM 1306 N TRP B 42 11.142 4.188 32.352 1.00 9.65 N ATOM 1307 CA TRP B 42 11.200 5.026 31.176 1.00 9.28 C ATOM 1308 C TRP B 42 10.778 4.241 29.941 1.00 9.12 C ATOM 1309 O TRP B 42 10.764 3.000 29.932 1.00 9.22 O ATOM 1310 CB TRP B 42 12.587 5.648 31.010 1.00 9.48 C ATOM 1311 CG TRP B 42 13.703 4.663 30.836 1.00 9.90 C ATOM 1312 CD1 TRP B 42 14.405 4.029 31.819 1.00 10.84 C ATOM 1313 CD2 TRP B 42 14.267 4.223 29.592 1.00 10.27 C ATOM 1314 NE1 TRP B 42 15.367 3.211 31.260 1.00 11.45 N ATOM 1315 CE2 TRP B 42 15.302 3.319 29.895 1.00 11.32 C ATOM 1316 CE3 TRP B 42 13.996 4.519 28.248 1.00 10.61 C ATOM 1317 CZ2 TRP B 42 16.074 2.721 28.904 1.00 11.92 C ATOM 1318 CZ3 TRP B 42 14.765 3.936 27.267 1.00 11.75 C ATOM 1319 CH2 TRP B 42 15.788 3.040 27.596 1.00 12.26 C ATOM 1320 HE1 TRP B 42 16.032 2.611 31.788 1.00 0.00 H ATOM 1321 H TRP B 42 11.656 3.284 32.362 1.00 0.00 H ATOM 1322 N LYS B 43 10.398 5.013 28.926 1.00 9.34 N ATOM 1323 CA LYS B 43 9.941 4.529 27.635 1.00 9.57 C ATOM 1324 C LYS B 43 10.873 5.093 26.567 1.00 8.89 C ATOM 1325 O LYS B 43 11.491 6.149 26.759 1.00 9.06 O ATOM 1326 CB LYS B 43 8.509 5.003 27.374 1.00 11.28 C ATOM 1327 CG LYS B 43 7.492 4.382 28.311 1.00 13.98 C ATOM 1328 CD LYS B 43 6.103 4.951 28.092 1.00 16.38 C ATOM 1329 CE LYS B 43 5.627 4.723 26.670 1.00 18.57 C ATOM 1330 NZ LYS B 43 4.200 5.112 26.515 1.00 19.81 N ATOM 1331 HZ1 LYS B 43 3.615 4.542 27.158 1.00 0.00 H ATOM 1332 HZ2 LYS B 43 4.090 6.120 26.746 1.00 0.00 H ATOM 1333 HZ3 LYS B 43 3.901 4.945 25.533 1.00 0.00 H ATOM 1334 H LYS B 43 10.431 6.043 29.068 1.00 0.00 H ATOM 1335 N PRO B 44 10.984 4.400 25.428 1.00 8.81 N ATOM 1336 CA PRO B 44 11.885 4.868 24.376 1.00 9.26 C ATOM 1337 C PRO B 44 11.241 5.960 23.530 1.00 9.42 C ATOM 1338 O PRO B 44 10.022 5.971 23.361 1.00 9.83 O ATOM 1339 CB PRO B 44 12.100 3.607 23.540 1.00 9.67 C ATOM 1340 CG PRO B 44 10.810 2.862 23.677 1.00 9.81 C ATOM 1341 CD PRO B 44 10.349 3.113 25.089 1.00 9.28 C ATOM 1342 N LYS B 45 12.057 6.869 23.009 1.00 9.84 N ATOM 1343 CA LYS B 45 11.588 7.852 22.044 1.00 11.30 C ATOM 1344 C LYS B 45 12.754 8.285 21.172 1.00 11.41 C ATOM 1345 O LYS B 45 13.905 8.278 21.608 1.00 11.77 O ATOM 1346 CB LYS B 45 10.947 9.060 22.739 1.00 12.82 C ATOM 1347 CG LYS B 45 10.078 9.922 21.824 1.00 14.13 C ATOM 1348 CD LYS B 45 9.280 10.952 22.608 1.00 15.74 C ATOM 1349 CE LYS B 45 8.373 11.764 21.691 1.00 16.87 C ATOM 1350 NZ LYS B 45 7.508 12.710 22.450 1.00 17.30 N ATOM 1351 HZ1 LYS B 45 6.907 12.175 23.109 1.00 0.00 H ATOM 1352 HZ2 LYS B 45 8.106 13.373 22.984 1.00 0.00 H ATOM 1353 HZ3 LYS B 45 6.909 13.240 21.785 1.00 0.00 H ATOM 1354 H LYS B 45 13.056 6.879 23.298 1.00 0.00 H ATOM 1355 N MET B 46 12.446 8.635 19.929 1.00 12.55 N ATOM 1356 CA MET B 46 13.416 9.222 19.022 1.00 14.08 C ATOM 1357 C MET B 46 12.898 10.561 18.561 1.00 13.10 C ATOM 1358 O MET B 46 11.734 10.692 18.187 1.00 13.83 O ATOM 1359 CB MET B 46 13.638 8.318 17.825 1.00 16.80 C ATOM 1360 CG MET B 46 14.584 7.197 18.110 1.00 19.44 C ATOM 1361 SD MET B 46 14.822 6.265 16.615 1.00 22.53 S ATOM 1362 CE MET B 46 15.149 7.578 15.445 1.00 22.04 C ATOM 1363 H MET B 46 11.474 8.483 19.592 1.00 0.00 H ATOM 1364 N ILE B 47 13.768 11.560 18.609 1.00 11.96 N ATOM 1365 CA ILE B 47 13.389 12.920 18.275 1.00 11.16 C ATOM 1366 C ILE B 47 14.401 13.506 17.305 1.00 10.25 C ATOM 1367 O ILE B 47 15.578 13.138 17.319 1.00 10.36 O ATOM 1368 CB ILE B 47 13.313 13.798 19.535 1.00 11.50 C ATOM 1369 CG1 ILE B 47 14.665 13.814 20.250 1.00 11.57 C ATOM 1370 CG2 ILE B 47 12.202 13.316 20.464 1.00 12.19 C ATOM 1371 CD1 ILE B 47 14.757 14.815 21.378 1.00 11.68 C ATOM 1372 H ILE B 47 14.749 11.364 18.894 1.00 0.00 H ATOM 1373 N GLY B 48 13.934 14.414 16.456 1.00 9.45 N ATOM 1374 CA GLY B 48 14.773 14.992 15.425 1.00 9.07 C ATOM 1375 C GLY B 48 15.087 16.449 15.684 1.00 8.20 C ATOM 1376 O GLY B 48 14.189 17.254 15.957 1.00 8.61 O ATOM 1377 H GLY B 48 12.942 14.718 16.533 1.00 0.00 H ATOM 1378 N GLY B 49 16.372 16.781 15.610 1.00 7.86 N ATOM 1379 CA GLY B 49 16.830 18.153 15.697 1.00 7.54 C ATOM 1380 C GLY B 49 17.533 18.587 14.422 1.00 7.52 C ATOM 1381 O GLY B 49 17.436 17.936 13.375 1.00 7.77 O ATOM 1382 H GLY B 49 17.076 16.026 15.485 1.00 0.00 H ATOM 1383 N ILE B 50 18.256 19.693 14.514 1.00 7.33 N ATOM 1384 CA ILE B 50 18.849 20.300 13.342 1.00 7.75 C ATOM 1385 C ILE B 50 19.804 19.340 12.618 1.00 7.83 C ATOM 1386 O ILE B 50 19.879 19.341 11.390 1.00 8.41 O ATOM 1387 CB ILE B 50 19.521 21.652 13.729 1.00 8.27 C ATOM 1388 CG1 ILE B 50 19.846 22.498 12.499 1.00 9.04 C ATOM 1389 CG2 ILE B 50 20.758 21.442 14.582 1.00 8.79 C ATOM 1390 CD1 ILE B 50 18.633 23.023 11.775 1.00 9.76 C ATOM 1391 H ILE B 50 18.400 20.133 15.445 1.00 0.00 H ATOM 1392 N GLY B 51 20.507 18.508 13.382 1.00 7.82 N ATOM 1393 CA GLY B 51 21.523 17.632 12.829 1.00 8.51 C ATOM 1394 C GLY B 51 21.090 16.212 12.516 1.00 8.91 C ATOM 1395 O GLY B 51 21.839 15.462 11.885 1.00 9.55 O ATOM 1396 H GLY B 51 20.323 18.485 14.405 1.00 0.00 H ATOM 1397 N GLY B 52 19.892 15.833 12.960 1.00 9.26 N ATOM 1398 CA GLY B 52 19.413 14.466 12.840 1.00 9.40 C ATOM 1399 C GLY B 52 18.686 14.032 14.102 1.00 8.97 C ATOM 1400 O GLY B 52 18.260 14.849 14.906 1.00 9.01 O ATOM 1401 H GLY B 52 19.277 16.542 13.409 1.00 0.00 H ATOM 1402 N PHE B 53 18.567 12.728 14.298 1.00 10.78 N ATOM 1403 CA PHE B 53 17.812 12.185 15.421 1.00 13.14 C ATOM 1404 C PHE B 53 18.718 11.694 16.548 1.00 12.61 C ATOM 1405 O PHE B 53 19.843 11.245 16.307 1.00 13.15 O ATOM 1406 CB PHE B 53 16.919 11.025 14.950 1.00 16.08 C ATOM 1407 CG PHE B 53 15.733 11.456 14.129 1.00 18.16 C ATOM 1408 CD1 PHE B 53 15.875 11.764 12.787 1.00 19.23 C ATOM 1409 CD2 PHE B 53 14.472 11.541 14.699 1.00 18.92 C ATOM 1410 CE1 PHE B 53 14.785 12.163 12.031 1.00 19.81 C ATOM 1411 CE2 PHE B 53 13.378 11.938 13.948 1.00 19.58 C ATOM 1412 CZ PHE B 53 13.537 12.248 12.613 1.00 19.86 C ATOM 1413 H PHE B 53 19.025 12.073 13.633 1.00 0.00 H ATOM 1414 N ILE B 54 18.214 11.781 17.777 1.00 12.37 N ATOM 1415 CA ILE B 54 18.833 11.104 18.910 1.00 11.99 C ATOM 1416 C ILE B 54 17.815 10.256 19.668 1.00 11.97 C ATOM 1417 O ILE B 54 16.617 10.544 19.666 1.00 12.14 O ATOM 1418 CB ILE B 54 19.526 12.068 19.902 1.00 12.06 C ATOM 1419 CG1 ILE B 54 18.535 13.082 20.485 1.00 12.80 C ATOM 1420 CG2 ILE B 54 20.716 12.753 19.238 1.00 12.71 C ATOM 1421 CD1 ILE B 54 19.124 13.913 21.610 1.00 13.22 C ATOM 1422 H ILE B 54 17.356 12.347 17.933 1.00 0.00 H ATOM 1423 N LYS B 55 18.314 9.201 20.304 1.00 12.55 N ATOM 1424 CA LYS B 55 17.507 8.333 21.142 1.00 12.40 C ATOM 1425 C LYS B 55 17.531 8.872 22.563 1.00 12.12 C ATOM 1426 O LYS B 55 18.601 9.157 23.108 1.00 12.84 O ATOM 1427 CB LYS B 55 18.091 6.921 21.133 1.00 13.98 C ATOM 1428 CG LYS B 55 18.280 6.312 19.748 1.00 16.51 C ATOM 1429 CD LYS B 55 19.050 4.997 19.821 1.00 18.44 C ATOM 1430 CE LYS B 55 19.289 4.406 18.439 1.00 20.09 C ATOM 1431 NZ LYS B 55 20.034 3.118 18.507 1.00 21.03 N ATOM 1432 HZ1 LYS B 55 20.957 3.276 18.958 1.00 0.00 H ATOM 1433 HZ2 LYS B 55 19.487 2.432 19.065 1.00 0.00 H ATOM 1434 HZ3 LYS B 55 20.176 2.750 17.545 1.00 0.00 H ATOM 1435 H LYS B 55 19.326 8.988 20.197 1.00 0.00 H ATOM 1436 N VAL B 56 16.356 8.996 23.169 1.00 11.33 N ATOM 1437 CA VAL B 56 16.273 9.526 24.522 1.00 11.17 C ATOM 1438 C VAL B 56 15.389 8.617 25.376 1.00 10.54 C ATOM 1439 O VAL B 56 14.664 7.760 24.859 1.00 11.33 O ATOM 1440 CB VAL B 56 15.719 10.974 24.532 1.00 12.41 C ATOM 1441 CG1 VAL B 56 16.657 11.909 23.764 1.00 13.21 C ATOM 1442 CG2 VAL B 56 14.328 11.013 23.936 1.00 13.65 C ATOM 1443 H VAL B 56 15.487 8.712 22.673 1.00 0.00 H ATOM 1444 N ARG B 57 15.459 8.822 26.687 1.00 9.99 N ATOM 1445 CA ARG B 57 14.637 8.098 27.648 1.00 9.64 C ATOM 1446 C ARG B 57 13.511 9.016 28.102 1.00 8.74 C ATOM 1447 O ARG B 57 13.763 10.124 28.568 1.00 9.24 O ATOM 1448 CB ARG B 57 15.466 7.673 28.864 1.00 10.61 C ATOM 1449 CG ARG B 57 16.715 6.884 28.507 1.00 12.44 C ATOM 1450 CD ARG B 57 17.313 6.154 29.698 1.00 13.74 C ATOM 1451 NE ARG B 57 17.540 6.982 30.881 1.00 14.59 N ATOM 1452 CZ ARG B 57 18.606 7.747 31.067 1.00 15.90 C ATOM 1453 NH1 ARG B 57 19.528 7.842 30.120 1.00 16.65 N ATOM 1454 NH2 ARG B 57 18.730 8.440 32.190 1.00 16.87 N ATOM 1455 HE ARG B 57 16.816 6.970 31.627 1.00 0.00 H ATOM 1456 HH12 ARG B 57 20.364 8.443 30.267 1.00 0.00 H ATOM 1457 HH11 ARG B 57 19.415 7.316 29.230 1.00 0.00 H ATOM 1458 HH22 ARG B 57 19.565 9.042 32.340 1.00 0.00 H ATOM 1459 HH21 ARG B 57 17.992 8.382 32.921 1.00 0.00 H ATOM 1460 H ARG B 57 16.131 9.531 27.043 1.00 0.00 H ATOM 1461 N GLN B 58 12.274 8.546 27.989 1.00 8.52 N ATOM 1462 CA GLN B 58 11.106 9.327 28.368 1.00 8.40 C ATOM 1463 C GLN B 58 10.626 8.964 29.771 1.00 8.36 C ATOM 1464 O GLN B 58 10.233 7.814 30.022 1.00 9.13 O ATOM 1465 CB GLN B 58 9.965 9.103 27.380 1.00 8.64 C ATOM 1466 CG GLN B 58 8.703 9.828 27.766 1.00 9.40 C ATOM 1467 CD GLN B 58 7.589 9.643 26.778 1.00 11.36 C ATOM 1468 OE1 GLN B 58 7.827 9.404 25.589 1.00 13.46 O ATOM 1469 NE2 GLN B 58 6.352 9.767 27.256 1.00 12.78 N ATOM 1470 HE22 GLN B 58 6.202 9.969 28.265 1.00 0.00 H ATOM 1471 HE21 GLN B 58 5.536 9.662 26.620 1.00 0.00 H ATOM 1472 H GLN B 58 12.135 7.585 27.616 1.00 0.00 H ATOM 1473 N TYR B 59 10.647 9.952 30.664 1.00 8.44 N ATOM 1474 CA TYR B 59 10.113 9.824 32.012 1.00 9.09 C ATOM 1475 C TYR B 59 8.880 10.701 32.125 1.00 8.90 C ATOM 1476 O TYR B 59 8.902 11.857 31.724 1.00 9.83 O ATOM 1477 CB TYR B 59 11.145 10.256 33.054 1.00 9.70 C ATOM 1478 CG TYR B 59 12.395 9.408 33.090 1.00 9.78 C ATOM 1479 CD1 TYR B 59 13.456 9.669 32.244 1.00 10.18 C ATOM 1480 CD2 TYR B 59 12.516 8.346 33.983 1.00 10.56 C ATOM 1481 CE1 TYR B 59 14.607 8.908 32.284 1.00 10.96 C ATOM 1482 CE2 TYR B 59 13.668 7.573 34.024 1.00 11.31 C ATOM 1483 CZ TYR B 59 14.709 7.858 33.171 1.00 11.75 C ATOM 1484 OH TYR B 59 15.864 7.113 33.185 1.00 13.15 O ATOM 1485 HH TYR B 59 16.280 7.168 34.082 1.00 0.00 H ATOM 1486 H TYR B 59 11.066 10.861 30.384 1.00 0.00 H ATOM 1487 N ASP B 60 7.807 10.159 32.685 1.00 10.40 N ATOM 1488 CA ASP B 60 6.565 10.906 32.803 1.00 10.69 C ATOM 1489 C ASP B 60 6.314 11.404 34.223 1.00 10.18 C ATOM 1490 O ASP B 60 6.820 10.844 35.205 1.00 11.17 O ATOM 1491 CB ASP B 60 5.386 10.069 32.309 1.00 12.06 C ATOM 1492 CG ASP B 60 5.500 9.722 30.834 1.00 13.46 C ATOM 1493 OD1 ASP B 60 5.867 10.606 30.022 1.00 13.72 O ATOM 1494 OD2 ASP B 60 5.240 8.552 30.492 1.00 15.69 O ATOM 1495 H ASP B 60 7.855 9.185 33.045 1.00 0.00 H ATOM 1496 N GLN B 61 5.529 12.471 34.317 1.00 10.09 N ATOM 1497 CA GLN B 61 5.035 12.962 35.599 1.00 10.95 C ATOM 1498 C GLN B 61 6.166 13.349 36.548 1.00 10.10 C ATOM 1499 O GLN B 61 6.100 13.088 37.751 1.00 11.70 O ATOM 1500 CB GLN B 61 4.099 11.934 36.254 1.00 13.16 C ATOM 1501 CG GLN B 61 2.877 12.562 36.895 1.00 13.35 C ATOM 1502 CD GLN B 61 1.713 11.601 37.059 1.00 13.77 C ATOM 1503 OE1 GLN B 61 1.404 10.812 36.169 1.00 15.38 O ATOM 1504 NE2 GLN B 61 1.051 11.680 38.201 1.00 12.98 N ATOM 1505 HE22 GLN B 61 1.347 12.363 38.928 1.00 0.00 H ATOM 1506 HE21 GLN B 61 0.234 11.059 38.373 1.00 0.00 H ATOM 1507 H GLN B 61 5.257 12.973 33.448 1.00 0.00 H ATOM 1508 N ILE B 62 7.178 14.008 35.989 1.00 9.11 N ATOM 1509 CA ILE B 62 8.346 14.457 36.724 1.00 8.95 C ATOM 1510 C ILE B 62 8.116 15.867 37.248 1.00 8.62 C ATOM 1511 O ILE B 62 7.682 16.757 36.510 1.00 8.35 O ATOM 1512 CB ILE B 62 9.589 14.423 35.810 1.00 9.51 C ATOM 1513 CG1 ILE B 62 9.901 12.988 35.358 1.00 10.70 C ATOM 1514 CG2 ILE B 62 10.796 15.064 36.479 1.00 10.17 C ATOM 1515 CD1 ILE B 62 10.279 12.037 36.481 1.00 11.96 C ATOM 1516 H ILE B 62 7.129 14.212 34.970 1.00 0.00 H ATOM 1517 N ILE B 63 8.402 16.063 38.530 1.00 9.11 N ATOM 1518 CA ILE B 63 8.296 17.363 39.160 1.00 10.38 C ATOM 1519 C ILE B 63 9.487 18.224 38.723 1.00 9.68 C ATOM 1520 O ILE B 63 10.646 17.807 38.830 1.00 10.60 O ATOM 1521 CB ILE B 63 8.231 17.201 40.692 1.00 12.93 C ATOM 1522 CG1 ILE B 63 6.943 16.453 41.082 1.00 14.14 C ATOM 1523 CG2 ILE B 63 8.341 18.550 41.382 1.00 14.79 C ATOM 1524 CD1 ILE B 63 6.907 15.985 42.518 1.00 15.40 C ATOM 1525 H ILE B 63 8.714 15.253 39.103 1.00 0.00 H ATOM 1526 N ILE B 64 9.199 19.416 38.215 1.00 9.22 N ATOM 1527 CA ILE B 64 10.245 20.282 37.695 1.00 9.35 C ATOM 1528 C ILE B 64 9.812 21.723 37.876 1.00 9.78 C ATOM 1529 O ILE B 64 8.665 22.052 37.597 1.00 12.84 O ATOM 1530 CB ILE B 64 10.572 19.940 36.206 1.00 9.97 C ATOM 1531 CG1 ILE B 64 11.638 20.879 35.643 1.00 9.78 C ATOM 1532 CG2 ILE B 64 9.317 19.932 35.334 1.00 11.15 C ATOM 1533 CD1 ILE B 64 12.125 20.465 34.268 1.00 10.48 C ATOM 1534 H ILE B 64 8.210 19.736 38.188 1.00 0.00 H ATOM 1535 N GLU B 65 10.728 22.583 38.323 1.00 8.82 N ATOM 1536 CA GLU B 65 10.477 24.013 38.448 1.00 8.91 C ATOM 1537 C GLU B 65 11.244 24.727 37.342 1.00 8.26 C ATOM 1538 O GLU B 65 12.406 24.404 37.091 1.00 9.08 O ATOM 1539 CB GLU B 65 10.972 24.487 39.810 1.00 10.77 C ATOM 1540 CG GLU B 65 10.231 25.636 40.420 1.00 10.73 C ATOM 1541 CD GLU B 65 10.721 25.926 41.834 1.00 11.53 C ATOM 1542 OE1 GLU B 65 11.884 26.348 41.983 1.00 11.81 O ATOM 1543 OE2 GLU B 65 9.959 25.723 42.808 1.00 12.82 O ATOM 1544 H GLU B 65 11.663 22.217 38.594 1.00 0.00 H ATOM 1545 N ILE B 66 10.596 25.689 36.690 1.00 8.69 N ATOM 1546 CA ILE B 66 11.185 26.418 35.577 1.00 8.76 C ATOM 1547 C ILE B 66 11.095 27.900 35.904 1.00 8.64 C ATOM 1548 O ILE B 66 9.997 28.454 35.965 1.00 8.68 O ATOM 1549 CB ILE B 66 10.433 26.121 34.264 1.00 9.94 C ATOM 1550 CG1 ILE B 66 10.391 24.603 34.012 1.00 11.37 C ATOM 1551 CG2 ILE B 66 11.036 26.924 33.107 1.00 9.95 C ATOM 1552 CD1 ILE B 66 9.352 24.128 33.075 1.00 11.57 C ATOM 1553 H ILE B 66 9.629 25.930 36.988 1.00 0.00 H ATOM 1554 N ALA B 67 12.238 28.533 36.158 1.00 8.95 N ATOM 1555 CA ALA B 67 12.247 29.942 36.542 1.00 9.90 C ATOM 1556 C ALA B 67 11.265 30.207 37.680 1.00 10.04 C ATOM 1557 O ALA B 67 10.564 31.221 37.697 1.00 10.67 O ATOM 1558 CB ALA B 67 11.943 30.832 35.342 1.00 11.38 C ATOM 1559 H ALA B 67 13.138 28.017 36.082 1.00 0.00 H ATOM 1560 N GLY B 68 11.229 29.291 38.642 1.00 9.79 N ATOM 1561 CA GLY B 68 10.372 29.433 39.807 1.00 10.59 C ATOM 1562 C GLY B 68 8.941 28.945 39.635 1.00 10.61 C ATOM 1563 O GLY B 68 8.195 28.892 40.604 1.00 12.25 O ATOM 1564 H GLY B 68 11.832 28.448 38.559 1.00 0.00 H ATOM 1565 N HIS B 69 8.555 28.593 38.413 1.00 9.28 N ATOM 1566 CA HIS B 69 7.201 28.131 38.129 1.00 9.58 C ATOM 1567 C HIS B 69 7.144 26.611 38.181 1.00 9.50 C ATOM 1568 O HIS B 69 7.911 25.921 37.512 1.00 9.75 O ATOM 1569 CB HIS B 69 6.749 28.639 36.759 1.00 10.24 C ATOM 1570 CG HIS B 69 6.523 30.115 36.722 1.00 10.73 C ATOM 1571 ND1 HIS B 69 5.279 30.672 36.511 1.00 11.90 N ATOM 1572 CD2 HIS B 69 7.371 31.154 36.914 1.00 11.88 C ATOM 1573 CE1 HIS B 69 5.373 31.988 36.567 1.00 12.45 C ATOM 1574 NE2 HIS B 69 6.631 32.307 36.815 1.00 12.67 N ATOM 1575 H HIS B 69 9.241 28.649 37.633 1.00 0.00 H ATOM 1576 N LYS B 70 6.228 26.086 38.980 1.00 11.19 N ATOM 1577 CA LYS B 70 6.149 24.651 39.194 1.00 12.50 C ATOM 1578 C LYS B 70 5.384 23.952 38.068 1.00 11.96 C ATOM 1579 O LYS B 70 4.337 24.420 37.632 1.00 14.87 O ATOM 1580 CB LYS B 70 5.545 24.345 40.573 1.00 15.05 C ATOM 1581 CG LYS B 70 6.389 24.865 41.745 1.00 16.49 C ATOM 1582 CD LYS B 70 5.829 24.432 43.096 1.00 18.61 C ATOM 1583 CE LYS B 70 5.807 22.917 43.211 1.00 20.05 C ATOM 1584 NZ LYS B 70 5.269 22.453 44.519 1.00 21.34 N ATOM 1585 HZ1 LYS B 70 5.862 22.825 45.288 1.00 0.00 H ATOM 1586 HZ2 LYS B 70 4.295 22.798 44.634 1.00 0.00 H ATOM 1587 HZ3 LYS B 70 5.276 21.413 44.546 1.00 0.00 H ATOM 1588 H LYS B 70 5.553 26.712 39.463 1.00 0.00 H ATOM 1589 N ALA B 71 5.931 22.833 37.605 1.00 10.15 N ATOM 1590 CA ALA B 71 5.319 22.006 36.573 1.00 9.89 C ATOM 1591 C ALA B 71 5.492 20.542 36.957 1.00 8.69 C ATOM 1592 O ALA B 71 6.332 20.199 37.795 1.00 9.22 O ATOM 1593 CB ALA B 71 5.954 22.277 35.210 1.00 10.03 C ATOM 1594 H ALA B 71 6.844 22.531 38.000 1.00 0.00 H ATOM 1595 N ILE B 72 4.676 19.679 36.362 1.00 8.31 N ATOM 1596 CA ILE B 72 4.828 18.239 36.529 1.00 8.10 C ATOM 1597 C ILE B 72 4.522 17.630 35.172 1.00 7.94 C ATOM 1598 O ILE B 72 3.399 17.729 34.688 1.00 8.44 O ATOM 1599 CB ILE B 72 3.858 17.636 37.573 1.00 8.33 C ATOM 1600 CG1 ILE B 72 3.889 18.411 38.894 1.00 9.18 C ATOM 1601 CG2 ILE B 72 4.192 16.167 37.774 1.00 9.02 C ATOM 1602 CD1 ILE B 72 2.904 17.867 39.923 1.00 9.99 C ATOM 1603 H ILE B 72 3.908 20.040 35.761 1.00 0.00 H ATOM 1604 N GLY B 73 5.510 17.023 34.528 1.00 7.90 N ATOM 1605 CA GLY B 73 5.275 16.539 33.187 1.00 8.34 C ATOM 1606 C GLY B 73 6.403 15.695 32.655 1.00 7.81 C ATOM 1607 O GLY B 73 7.259 15.218 33.403 1.00 8.55 O ATOM 1608 H GLY B 73 6.438 16.898 34.981 1.00 0.00 H ATOM 1609 N THR B 74 6.388 15.500 31.347 1.00 7.75 N ATOM 1610 CA THR B 74 7.310 14.577 30.724 1.00 7.82 C ATOM 1611 C THR B 74 8.669 15.222 30.498 1.00 7.46 C ATOM 1612 O THR B 74 8.763 16.346 29.985 1.00 7.58 O ATOM 1613 CB THR B 74 6.722 14.067 29.412 1.00 8.84 C ATOM 1614 OG1 THR B 74 5.514 13.356 29.706 1.00 10.45 O ATOM 1615 CG2 THR B 74 7.680 13.143 28.678 1.00 9.31 C ATOM 1616 HG1 THR B 74 5.118 13.017 28.864 1.00 0.00 H ATOM 1617 H THR B 74 5.704 16.017 30.759 1.00 0.00 H ATOM 1618 N VAL B 75 9.715 14.496 30.880 1.00 7.82 N ATOM 1619 CA VAL B 75 11.086 14.930 30.695 1.00 8.52 C ATOM 1620 C VAL B 75 11.824 13.818 29.958 1.00 8.46 C ATOM 1621 O VAL B 75 11.797 12.658 30.382 1.00 9.58 O ATOM 1622 CB VAL B 75 11.753 15.240 32.052 1.00 9.65 C ATOM 1623 CG1 VAL B 75 13.214 15.557 31.860 1.00 10.35 C ATOM 1624 CG2 VAL B 75 11.024 16.387 32.749 1.00 10.33 C ATOM 1625 H VAL B 75 9.542 13.575 31.332 1.00 0.00 H ATOM 1626 N LEU B 76 12.462 14.180 28.849 1.00 8.17 N ATOM 1627 CA LEU B 76 13.358 13.283 28.141 1.00 8.64 C ATOM 1628 C LEU B 76 14.760 13.469 28.708 1.00 8.63 C ATOM 1629 O LEU B 76 15.140 14.583 29.078 1.00 8.46 O ATOM 1630 CB LEU B 76 13.336 13.581 26.641 1.00 8.65 C ATOM 1631 CG LEU B 76 11.938 13.667 26.021 1.00 8.18 C ATOM 1632 CD1 LEU B 76 12.019 14.010 24.543 1.00 8.60 C ATOM 1633 CD2 LEU B 76 11.155 12.374 26.242 1.00 8.22 C ATOM 1634 H LEU B 76 12.314 15.139 28.476 1.00 0.00 H ATOM 1635 N VAL B 77 15.513 12.377 28.799 1.00 8.58 N ATOM 1636 CA VAL B 77 16.888 12.430 29.270 1.00 8.57 C ATOM 1637 C VAL B 77 17.759 11.732 28.252 1.00 8.37 C ATOM 1638 O VAL B 77 17.475 10.607 27.846 1.00 8.29 O ATOM 1639 CB VAL B 77 17.054 11.738 30.630 1.00 8.88 C ATOM 1640 CG1 VAL B 77 18.521 11.735 31.057 1.00 9.34 C ATOM 1641 CG2 VAL B 77 16.196 12.419 31.672 1.00 9.26 C ATOM 1642 H VAL B 77 15.107 11.459 28.526 1.00 0.00 H ATOM 1643 N GLY B 78 18.828 12.391 27.835 1.00 8.89 N ATOM 1644 CA GLY B 78 19.717 11.794 26.865 1.00 9.68 C ATOM 1645 C GLY B 78 20.793 12.754 26.446 1.00 10.12 C ATOM 1646 O GLY B 78 20.988 13.796 27.068 1.00 9.98 O ATOM 1647 H GLY B 78 19.029 13.341 28.207 1.00 0.00 H ATOM 1648 N PRO B 79 21.503 12.403 25.374 1.00 10.66 N ATOM 1649 CA PRO B 79 22.677 13.161 24.944 1.00 10.84 C ATOM 1650 C PRO B 79 22.325 14.418 24.164 1.00 10.45 C ATOM 1651 O PRO B 79 22.821 14.612 23.056 1.00 10.77 O ATOM 1652 CB PRO B 79 23.411 12.165 24.040 1.00 11.68 C ATOM 1653 CG PRO B 79 22.332 11.323 23.468 1.00 11.78 C ATOM 1654 CD PRO B 79 21.293 11.194 24.555 1.00 11.17 C ATOM 1655 N THR B 80 21.482 15.269 24.739 1.00 9.83 N ATOM 1656 CA THR B 80 21.187 16.552 24.113 1.00 9.41 C ATOM 1657 C THR B 80 22.383 17.492 24.241 1.00 9.79 C ATOM 1658 O THR B 80 23.080 17.479 25.252 1.00 10.27 O ATOM 1659 CB THR B 80 19.944 17.224 24.719 1.00 8.59 C ATOM 1660 OG1 THR B 80 19.724 18.482 24.067 1.00 8.40 O ATOM 1661 CG2 THR B 80 20.116 17.450 26.221 1.00 8.62 C ATOM 1662 HG1 THR B 80 20.514 19.063 24.199 1.00 0.00 H ATOM 1663 H THR B 80 21.030 15.018 25.641 1.00 0.00 H ATOM 1664 N PRO B 81 22.633 18.313 23.210 1.00 10.15 N ATOM 1665 CA PRO B 81 23.775 19.229 23.326 1.00 10.00 C ATOM 1666 C PRO B 81 23.586 20.288 24.414 1.00 10.29 C ATOM 1667 O PRO B 81 24.574 20.803 24.942 1.00 10.87 O ATOM 1668 CB PRO B 81 23.849 19.871 21.939 1.00 9.98 C ATOM 1669 CG PRO B 81 23.232 18.864 21.039 1.00 10.92 C ATOM 1670 CD PRO B 81 22.109 18.259 21.836 1.00 10.77 C ATOM 1671 N VAL B 82 22.334 20.599 24.742 1.00 10.21 N ATOM 1672 CA VAL B 82 22.012 21.577 25.776 1.00 10.22 C ATOM 1673 C VAL B 82 20.663 21.199 26.398 1.00 8.44 C ATOM 1674 O VAL B 82 19.850 20.539 25.756 1.00 8.11 O ATOM 1675 CB VAL B 82 21.935 22.999 25.179 1.00 11.65 C ATOM 1676 CG1 VAL B 82 20.781 23.091 24.213 1.00 11.63 C ATOM 1677 CG2 VAL B 82 21.803 24.047 26.270 1.00 13.35 C ATOM 1678 H VAL B 82 21.554 20.126 24.242 1.00 0.00 H ATOM 1679 N ASN B 83 20.424 21.590 27.646 1.00 7.85 N ATOM 1680 CA ASN B 83 19.112 21.373 28.251 1.00 6.69 C ATOM 1681 C ASN B 83 18.091 22.302 27.605 1.00 6.12 C ATOM 1682 O ASN B 83 18.344 23.505 27.501 1.00 5.94 O ATOM 1683 CB ASN B 83 19.143 21.654 29.753 1.00 7.09 C ATOM 1684 CG ASN B 83 20.057 20.716 30.517 1.00 7.91 C ATOM 1685 OD1 ASN B 83 20.336 19.598 30.080 1.00 8.42 O ATOM 1686 ND2 ASN B 83 20.512 21.165 31.678 1.00 8.62 N ATOM 1687 HD22 ASN B 83 20.250 22.116 32.007 1.00 0.00 H ATOM 1688 HD21 ASN B 83 21.131 20.566 32.261 1.00 0.00 H ATOM 1689 H ASN B 83 21.176 22.053 28.195 1.00 0.00 H ATOM 1690 N ILE B 84 16.952 21.758 27.173 1.00 5.97 N ATOM 1691 CA ILE B 84 15.895 22.574 26.574 1.00 6.05 C ATOM 1692 C ILE B 84 14.523 22.281 27.161 1.00 6.27 C ATOM 1693 O ILE B 84 14.114 21.125 27.303 1.00 6.74 O ATOM 1694 CB ILE B 84 15.844 22.451 25.032 1.00 5.91 C ATOM 1695 CG1 ILE B 84 15.519 21.016 24.597 1.00 6.42 C ATOM 1696 CG2 ILE B 84 17.151 22.931 24.443 1.00 5.98 C ATOM 1697 CD1 ILE B 84 15.582 20.814 23.094 1.00 6.58 C ATOM 1698 H ILE B 84 16.812 20.731 27.264 1.00 0.00 H ATOM 1699 N ILE B 85 13.834 23.362 27.502 1.00 6.47 N ATOM 1700 CA ILE B 85 12.456 23.340 27.971 1.00 6.36 C ATOM 1701 C ILE B 85 11.572 23.587 26.754 1.00 6.19 C ATOM 1702 O ILE B 85 11.586 24.675 26.165 1.00 7.33 O ATOM 1703 CB ILE B 85 12.192 24.420 29.043 1.00 7.12 C ATOM 1704 CG1 ILE B 85 13.218 24.317 30.180 1.00 8.05 C ATOM 1705 CG2 ILE B 85 10.753 24.343 29.520 1.00 7.94 C ATOM 1706 CD1 ILE B 85 13.337 22.947 30.788 1.00 9.32 C ATOM 1707 H ILE B 85 14.309 24.284 27.430 1.00 0.00 H ATOM 1708 N GLY B 86 10.825 22.561 26.362 1.00 6.10 N ATOM 1709 CA GLY B 86 9.992 22.628 25.183 1.00 6.23 C ATOM 1710 C GLY B 86 8.538 22.905 25.505 1.00 6.26 C ATOM 1711 O GLY B 86 8.156 23.177 26.647 1.00 6.63 O ATOM 1712 H GLY B 86 10.840 21.684 26.920 1.00 0.00 H ATOM 1713 N ARG B 87 7.716 22.844 24.468 1.00 6.52 N ATOM 1714 CA ARG B 87 6.349 23.345 24.580 1.00 6.96 C ATOM 1715 C ARG B 87 5.504 22.589 25.587 1.00 7.08 C ATOM 1716 O ARG B 87 4.596 23.175 26.173 1.00 7.71 O ATOM 1717 CB ARG B 87 5.662 23.377 23.216 1.00 7.16 C ATOM 1718 CG ARG B 87 6.306 24.382 22.252 1.00 7.55 C ATOM 1719 CD ARG B 87 5.502 24.562 20.961 1.00 8.02 C ATOM 1720 NE ARG B 87 5.498 23.341 20.170 1.00 8.61 N ATOM 1721 CZ ARG B 87 4.521 22.438 20.160 1.00 9.23 C ATOM 1722 NH1 ARG B 87 3.395 22.615 20.848 1.00 9.81 N ATOM 1723 NH2 ARG B 87 4.677 21.343 19.436 1.00 10.64 N ATOM 1724 HE ARG B 87 6.324 23.160 19.565 1.00 0.00 H ATOM 1725 HH12 ARG B 87 2.649 21.891 20.820 1.00 0.00 H ATOM 1726 HH11 ARG B 87 3.261 23.478 21.413 1.00 0.00 H ATOM 1727 HH22 ARG B 87 3.926 20.623 19.413 1.00 0.00 H ATOM 1728 HH21 ARG B 87 5.550 21.201 18.889 1.00 0.00 H ATOM 1729 H ARG B 87 8.046 22.437 23.570 1.00 0.00 H ATOM 1730 N ASN B 88 5.795 21.313 25.810 1.00 7.24 N ATOM 1731 CA ASN B 88 5.011 20.566 26.794 1.00 7.60 C ATOM 1732 C ASN B 88 5.049 21.225 28.168 1.00 7.79 C ATOM 1733 O ASN B 88 4.063 21.183 28.901 1.00 8.84 O ATOM 1734 CB ASN B 88 5.446 19.099 26.873 1.00 7.92 C ATOM 1735 CG ASN B 88 6.787 18.913 27.549 1.00 7.60 C ATOM 1736 OD1 ASN B 88 7.790 19.523 27.152 1.00 7.70 O ATOM 1737 ND2 ASN B 88 6.814 18.078 28.583 1.00 8.43 N ATOM 1738 HD22 ASN B 88 5.945 17.589 28.879 1.00 0.00 H ATOM 1739 HD21 ASN B 88 7.704 17.914 29.096 1.00 0.00 H ATOM 1740 H ASN B 88 6.570 20.851 25.292 1.00 0.00 H ATOM 1741 N LEU B 89 6.183 21.822 28.528 1.00 7.38 N ATOM 1742 CA LEU B 89 6.303 22.514 29.810 1.00 7.79 C ATOM 1743 C LEU B 89 6.127 24.030 29.689 1.00 7.62 C ATOM 1744 O LEU B 89 5.673 24.662 30.636 1.00 8.34 O ATOM 1745 CB LEU B 89 7.607 22.158 30.517 1.00 8.08 C ATOM 1746 CG LEU B 89 7.797 20.677 30.825 1.00 9.01 C ATOM 1747 CD1 LEU B 89 9.100 20.461 31.571 1.00 10.06 C ATOM 1748 CD2 LEU B 89 6.623 20.072 31.578 1.00 10.26 C ATOM 1749 H LEU B 89 7.000 21.796 27.885 1.00 0.00 H ATOM 1750 N LEU B 90 6.469 24.621 28.540 1.00 7.42 N ATOM 1751 CA LEU B 90 6.197 26.042 28.351 1.00 7.81 C ATOM 1752 C LEU B 90 4.703 26.326 28.499 1.00 8.03 C ATOM 1753 O LEU B 90 4.307 27.348 29.064 1.00 9.08 O ATOM 1754 CB LEU B 90 6.712 26.533 26.997 1.00 7.61 C ATOM 1755 CG LEU B 90 8.230 26.476 26.825 1.00 7.58 C ATOM 1756 CD1 LEU B 90 8.610 26.785 25.386 1.00 8.10 C ATOM 1757 CD2 LEU B 90 8.930 27.428 27.771 1.00 9.10 C ATOM 1758 H LEU B 90 6.926 24.071 27.785 1.00 0.00 H ATOM 1759 N THR B 91 3.861 25.421 28.005 1.00 8.55 N ATOM 1760 CA THR B 91 2.425 25.600 28.185 1.00 9.57 C ATOM 1761 C THR B 91 2.019 25.497 29.664 1.00 10.10 C ATOM 1762 O THR B 91 1.143 26.229 30.107 1.00 11.57 O ATOM 1763 CB THR B 91 1.600 24.621 27.332 1.00 10.12 C ATOM 1764 OG1 THR B 91 1.979 23.275 27.638 1.00 10.93 O ATOM 1765 CG2 THR B 91 1.753 24.905 25.840 1.00 10.55 C ATOM 1766 HG1 THR B 91 1.445 22.650 27.087 1.00 0.00 H ATOM 1767 H THR B 91 4.225 24.592 27.494 1.00 0.00 H ATOM 1768 N GLN B 92 2.661 24.617 30.433 1.00 9.77 N ATOM 1769 CA GLN B 92 2.335 24.497 31.857 1.00 10.32 C ATOM 1770 C GLN B 92 2.661 25.756 32.637 1.00 11.56 C ATOM 1771 O GLN B 92 2.004 26.045 33.627 1.00 14.68 O ATOM 1772 CB GLN B 92 3.039 23.300 32.500 1.00 9.81 C ATOM 1773 CG GLN B 92 2.470 21.953 32.094 1.00 9.57 C ATOM 1774 CD GLN B 92 2.813 20.838 33.070 1.00 9.30 C ATOM 1775 OE1 GLN B 92 3.076 21.080 34.250 1.00 10.23 O ATOM 1776 NE2 GLN B 92 2.787 19.609 32.583 1.00 9.92 N ATOM 1777 HE22 GLN B 92 2.560 19.452 31.580 1.00 0.00 H ATOM 1778 HE21 GLN B 92 2.994 18.800 33.203 1.00 0.00 H ATOM 1779 H GLN B 92 3.398 24.011 30.019 1.00 0.00 H ATOM 1780 N ILE B 93 3.677 26.496 32.217 1.00 10.80 N ATOM 1781 CA ILE B 93 4.033 27.715 32.923 1.00 11.61 C ATOM 1782 C ILE B 93 3.368 28.958 32.335 1.00 11.96 C ATOM 1783 O ILE B 93 3.622 30.072 32.791 1.00 13.16 O ATOM 1784 CB ILE B 93 5.565 27.897 33.072 1.00 12.08 C ATOM 1785 CG1 ILE B 93 6.218 28.248 31.733 1.00 12.10 C ATOM 1786 CG2 ILE B 93 6.186 26.662 33.728 1.00 12.83 C ATOM 1787 CD1 ILE B 93 7.705 28.500 31.842 1.00 13.37 C ATOM 1788 H ILE B 93 4.221 26.204 31.380 1.00 0.00 H ATOM 1789 N GLY B 94 2.510 28.759 31.335 1.00 12.17 N ATOM 1790 CA GLY B 94 1.723 29.841 30.765 1.00 12.63 C ATOM 1791 C GLY B 94 2.471 30.743 29.800 1.00 12.29 C ATOM 1792 O GLY B 94 2.099 31.909 29.636 1.00 13.20 O ATOM 1793 H GLY B 94 2.400 27.799 30.950 1.00 0.00 H ATOM 1794 N ALA B 95 3.506 30.214 29.146 1.00 11.23 N ATOM 1795 CA ALA B 95 4.325 31.033 28.261 1.00 10.81 C ATOM 1796 C ALA B 95 3.686 31.239 26.903 1.00 10.55 C ATOM 1797 O ALA B 95 3.143 30.302 26.322 1.00 11.24 O ATOM 1798 CB ALA B 95 5.697 30.413 28.085 1.00 11.00 C ATOM 1799 H ALA B 95 3.731 29.206 29.269 1.00 0.00 H ATOM 1800 N THR B 96 3.797 32.461 26.391 1.00 10.30 N ATOM 1801 CA THR B 96 3.378 32.788 25.040 1.00 10.89 C ATOM 1802 C THR B 96 4.485 33.573 24.352 1.00 10.24 C ATOM 1803 O THR B 96 5.360 34.147 25.007 1.00 10.98 O ATOM 1804 CB THR B 96 2.089 33.652 25.040 1.00 12.37 C ATOM 1805 OG1 THR B 96 2.299 34.841 25.814 1.00 13.04 O ATOM 1806 CG2 THR B 96 0.913 32.879 25.614 1.00 13.12 C ATOM 1807 HG1 THR B 96 3.043 35.363 25.420 1.00 0.00 H ATOM 1808 H THR B 96 4.201 33.214 26.983 1.00 0.00 H ATOM 1809 N LEU B 97 4.430 33.592 23.022 1.00 10.20 N ATOM 1810 CA LEU B 97 5.212 34.529 22.214 1.00 10.28 C ATOM 1811 C LEU B 97 4.365 35.767 21.918 1.00 10.61 C ATOM 1812 O LEU B 97 3.159 35.653 21.663 1.00 11.95 O ATOM 1813 CB LEU B 97 5.623 33.891 20.893 1.00 10.81 C ATOM 1814 CG LEU B 97 6.776 32.900 20.991 1.00 10.99 C ATOM 1815 CD1 LEU B 97 6.876 32.066 19.721 1.00 11.63 C ATOM 1816 CD2 LEU B 97 8.079 33.628 21.259 1.00 11.51 C ATOM 1817 H LEU B 97 3.807 32.914 22.538 1.00 0.00 H ATOM 1818 N ASN B 98 4.976 36.944 21.965 1.00 10.72 N ATOM 1819 CA ASN B 98 4.229 38.174 21.776 1.00 11.17 C ATOM 1820 C ASN B 98 5.028 39.145 20.943 1.00 11.50 C ATOM 1821 O ASN B 98 6.227 39.299 21.146 1.00 11.27 O ATOM 1822 CB ASN B 98 3.910 38.813 23.121 1.00 11.48 C ATOM 1823 CG ASN B 98 3.063 37.925 23.987 1.00 11.79 C ATOM 1824 OD1 ASN B 98 3.573 37.006 24.633 1.00 11.89 O ATOM 1825 ND2 ASN B 98 1.763 38.177 24.000 1.00 12.63 N ATOM 1826 HD22 ASN B 98 1.380 38.964 23.438 1.00 0.00 H ATOM 1827 HD21 ASN B 98 1.125 37.588 24.572 1.00 0.00 H ATOM 1828 H ASN B 98 6.000 36.986 22.139 1.00 0.00 H ATOM 1829 N PHE B 99 4.360 39.797 19.996 1.00 12.61 N ATOM 1830 CA PHE B 99 4.983 40.868 19.226 1.00 13.94 C ATOM 1831 C PHE B 99 3.923 41.785 18.639 1.00 16.00 C ATOM 1832 O PHE B 99 4.244 42.726 17.928 1.00 17.25 O ATOM 1833 CB PHE B 99 5.950 40.342 18.149 1.00 13.76 C ATOM 1834 CG PHE B 99 5.334 39.397 17.153 1.00 15.39 C ATOM 1835 CD1 PHE B 99 5.299 38.035 17.406 1.00 17.22 C ATOM 1836 CD2 PHE B 99 4.848 39.862 15.938 1.00 16.93 C ATOM 1837 CE1 PHE B 99 4.755 37.156 16.486 1.00 18.73 C ATOM 1838 CE2 PHE B 99 4.301 38.989 15.016 1.00 18.77 C ATOM 1839 CZ PHE B 99 4.254 37.636 15.290 1.00 19.50 C ATOM 1840 OXT PHE B 99 2.732 41.604 18.883 1.00 17.27 O ATOM 1841 H PHE B 99 3.372 39.538 19.800 1.00 0.00 H TER 1842 PHE B 99 HETATM 1843 O HOH 1 7.483 22.560 12.047 1.00 33.57 O HETATM 1844 O HOH 2 24.562 20.269 18.046 1.00 13.33 O HETATM 1845 O HOH 3 24.548 24.712 18.497 1.00 24.87 O HETATM 1846 O HOH 4 -1.692 42.062 17.199 1.00 31.52 O HETATM 1847 O HOH 5 25.439 33.816 11.193 1.00 31.60 O HETATM 1848 O HOH 6 20.637 34.088 -6.483 1.00 36.81 O HETATM 1849 O HOH 7 22.673 15.466 19.771 1.00 14.46 O HETATM 1850 O HOH 8 7.264 41.688 1.881 1.00 46.96 O HETATM 1851 O HOH 9 24.968 37.994 1.238 1.00 29.98 O HETATM 1852 O HOH 10 14.187 38.617 0.598 1.00 14.32 O HETATM 1853 O HOH 11 4.682 35.022 36.171 1.00 31.14 O HETATM 1854 O HOH 12 2.707 32.189 34.158 1.00 22.61 O HETATM 1855 O HOH 13 0.585 24.707 9.690 1.00 54.71 O HETATM 1856 O HOH 14 22.602 34.870 12.328 1.00 16.92 O HETATM 1857 O HOH 15 15.427 21.032 3.887 1.00 14.81 O HETATM 1858 O HOH 16 24.056 32.195 -4.177 1.00 15.34 O HETATM 1859 O HOH 17 1.639 28.008 18.313 1.00 18.28 O HETATM 1860 O HOH 18 23.854 34.857 -4.515 1.00 15.61 O HETATM 1861 O HOH 19 7.848 44.437 13.645 1.00 27.97 O HETATM 1862 O HOH 20 8.200 25.512 1.193 1.00 29.16 O HETATM 1863 O HOH 21 8.892 44.936 11.622 1.00 31.65 O HETATM 1864 O HOH 22 20.937 35.734 17.713 1.00 14.95 O HETATM 1865 O HOH 23 19.171 40.006 17.258 1.00 10.14 O HETATM 1866 O HOH 24 20.080 17.649 7.041 1.00 14.80 O HETATM 1867 O HOH 25 1.432 39.252 12.823 1.00 33.68 O HETATM 1868 O HOH 26 21.010 21.284 1.041 1.00 19.12 O HETATM 1869 O HOH 27 -4.002 28.034 14.185 1.00 24.74 O HETATM 1870 O HOH 28 24.802 21.067 3.359 1.00 30.57 O HETATM 1871 O HOH 29 14.827 33.748 -4.315 1.00 24.84 O HETATM 1872 O HOH 30 0.992 24.638 14.224 1.00 23.00 O HETATM 1873 O HOH 31 5.261 40.023 30.402 1.00 24.00 O HETATM 1874 O HOH 32 -1.154 27.187 20.119 1.00 21.61 O HETATM 1875 O HOH 33 7.009 41.718 22.790 1.00 17.31 O HETATM 1876 O HOH 34 9.098 21.279 14.014 1.00 12.74 O HETATM 1877 O HOH 35 20.393 28.670 21.221 1.00 8.12 O HETATM 1878 O HOH 36 12.697 21.302 3.244 1.00 18.49 O HETATM 1879 O HOH 37 22.817 39.504 0.314 1.00 35.14 O HETATM 1880 O HOH 38 13.345 40.144 21.755 1.00 11.13 O HETATM 1881 O HOH 39 11.303 17.508 7.919 1.00 32.71 O HETATM 1882 O HOH 40 20.793 29.991 -6.563 1.00 29.55 O HETATM 1883 O HOH 41 -3.956 33.931 23.922 1.00 22.53 O HETATM 1884 O HOH 42 23.255 25.306 1.364 1.00 19.79 O HETATM 1885 O HOH 43 18.564 30.747 21.761 1.00 9.71 O HETATM 1886 O HOH 44 20.775 33.757 10.630 1.00 9.86 O HETATM 1887 O HOH 45 6.839 45.571 8.810 1.00 31.30 O HETATM 1888 O HOH 46 -0.055 20.978 23.646 1.00 27.88 O HETATM 1889 O HOH 47 27.280 16.287 13.267 1.00 28.88 O HETATM 1890 O HOH 48 -3.526 33.622 21.317 1.00 28.53 O HETATM 1891 O HOH 49 27.614 17.284 9.433 1.00 26.24 O HETATM 1892 O HOH 50 9.265 24.210 7.370 1.00 19.96 O HETATM 1893 O HOH 51 15.454 44.619 11.070 1.00 12.37 O HETATM 1894 O HOH 52 1.831 30.921 14.943 1.00 23.01 O HETATM 1895 O HOH 53 10.087 21.694 5.905 1.00 67.57 O HETATM 1896 O HOH 54 23.251 35.416 21.597 1.00 45.33 O HETATM 1897 O HOH 55 28.918 38.232 8.094 1.00 49.35 O HETATM 1898 O HOH 56 28.082 35.780 4.422 1.00 19.90 O HETATM 1899 O HOH 57 0.622 28.109 13.547 1.00 24.34 O HETATM 1900 O HOH 58 5.755 31.846 -3.239 1.00 29.30 O HETATM 1901 O HOH 59 23.099 36.955 12.959 1.00 19.80 O HETATM 1902 O HOH 60 2.211 43.625 6.758 1.00 48.01 O HETATM 1903 O HOH 61 3.960 37.996 31.455 1.00 44.03 O HETATM 1904 O HOH 62 23.388 38.258 -6.235 1.00 30.77 O HETATM 1905 O HOH 63 -3.181 37.839 19.244 1.00 24.45 O HETATM 1906 O HOH 64 12.937 42.625 20.618 1.00 11.73 O HETATM 1907 O HOH 65 11.040 34.591 -6.212 1.00 30.70 O HETATM 1908 O HOH 66 23.279 40.345 7.898 1.00 17.99 O HETATM 1909 O HOH 67 10.497 38.879 -0.774 1.00 19.95 O HETATM 1910 O HOH 68 7.281 26.316 3.504 1.00 21.54 O HETATM 1911 O HOH 69 1.563 34.113 9.462 1.00 24.04 O HETATM 1912 O HOH 70 33.633 29.831 6.435 1.00 17.59 O HETATM 1913 O HOH 71 6.981 44.194 20.237 1.00 36.83 O HETATM 1914 O HOH 72 8.761 28.754 -1.218 1.00 21.02 O HETATM 1915 O HOH 73 22.220 36.600 19.681 1.00 37.14 O HETATM 1916 O HOH 74 21.403 38.722 11.593 1.00 11.98 O HETATM 1917 O HOH 75 9.686 45.608 15.846 1.00 29.73 O HETATM 1918 O HOH 76 25.106 19.110 6.036 1.00 13.99 O HETATM 1919 O HOH 77 -2.116 31.197 19.472 1.00 33.20 O HETATM 1920 O HOH 78 -2.700 33.891 17.801 1.00 55.12 O HETATM 1921 O HOH 79 10.620 39.702 1.716 1.00 38.82 O HETATM 1922 O HOH 80 12.338 22.572 5.625 1.00 34.81 O HETATM 1923 O HOH 81 16.532 21.935 1.597 1.00 10.29 O HETATM 1924 O HOH 82 21.471 31.688 -4.504 1.00 26.99 O HETATM 1925 O HOH 83 17.081 40.769 0.642 1.00 28.08 O HETATM 1926 O HOH 84 27.841 25.735 2.461 1.00 20.48 O HETATM 1927 O HOH 85 25.772 41.814 7.803 1.00 46.93 O HETATM 1928 O HOH 86 2.771 29.217 6.137 1.00 39.23 O HETATM 1929 O HOH 87 1.849 21.633 11.914 1.00 59.05 O HETATM 1930 O HOH 88 2.275 28.987 8.584 1.00 49.44 O HETATM 1931 O HOH 89 8.632 20.809 8.103 1.00 57.31 O HETATM 1932 O HOH 90 29.504 25.006 0.535 1.00 53.27 O HETATM 1933 O HOH 91 4.565 37.517 6.213 1.00 26.64 O HETATM 1934 O HOH 92 29.824 34.047 -2.619 1.00 27.13 O HETATM 1935 O HOH 93 -0.655 41.420 20.688 1.00 32.74 O HETATM 1936 O HOH 94 33.224 24.546 2.645 1.00 44.76 O HETATM 1937 O HOH 95 31.784 35.598 0.931 1.00 46.83 O HETATM 1938 O HOH 96 26.846 40.587 -0.974 1.00 32.82 O HETATM 1939 O HOH 97 0.546 30.820 8.780 1.00 50.48 O HETATM 1940 O HOH 98 8.899 23.811 4.524 1.00 37.38 O HETATM 1941 O HOH 99 18.320 35.401 -5.646 1.00 38.97 O HETATM 1942 O HOH 100 9.703 18.554 13.576 1.00 15.50 O HETATM 1943 O HOH 101 1.985 21.126 23.920 1.00 43.61 O HETATM 1944 O HOH 102 9.275 40.352 -2.677 1.00 68.45 O HETATM 1945 O HOH 103 10.813 44.276 1.429 1.00 37.57 O HETATM 1946 O HOH 104 31.830 38.281 5.542 1.00 54.96 O HETATM 1947 O HOH 105 13.038 39.419 -3.562 1.00 49.65 O HETATM 1948 O HOH 106 1.518 22.802 9.134 1.00 63.36 O HETATM 1949 O HOH 107 0.431 28.889 16.081 1.00 22.86 O HETATM 1950 O HOH 108 1.543 38.325 27.954 1.00 54.47 O HETATM 1951 O HOH 109 1.700 21.234 15.504 1.00 33.73 O HETATM 1952 O HOH 110 3.470 29.468 2.934 1.00 37.62 O HETATM 1953 O HOH 111 25.498 22.420 19.634 1.00 29.01 O HETATM 1954 O HOH 112 -3.092 28.387 16.729 1.00 54.18 O HETATM 1955 O HOH 113 8.833 43.961 23.302 1.00 47.42 O HETATM 1956 O HOH 114 7.245 23.065 9.012 1.00 38.17 O HETATM 1957 O HOH 115 22.438 41.925 9.505 1.00 54.53 O HETATM 1958 O HOH 116 8.089 46.890 9.481 1.00 61.83 O HETATM 1959 O HOH 117 27.704 38.534 -5.384 1.00 58.59 O HETATM 1960 O HOH 118 25.758 29.448 16.132 1.00 34.97 O HETATM 1961 O HOH 119 29.777 24.613 18.541 1.00 27.65 O HETATM 1962 O HOH 120 8.921 17.749 11.145 1.00 42.23 O HETATM 1963 O HOH 121 -1.193 33.880 28.539 1.00 41.33 O HETATM 1964 O HOH 122 26.564 24.599 18.796 1.00 58.90 O HETATM 1965 O HOH 123 7.858 22.146 2.887 1.00 64.38 O HETATM 1966 O HOH 124 -0.983 29.555 27.081 1.00 28.08 O HETATM 1967 O HOH 125 25.648 24.096 1.673 1.00 35.87 O HETATM 1968 O HOH 126 -0.452 37.843 9.303 1.00 59.12 O HETATM 1969 O HOH 127 27.028 41.416 -2.875 1.00 54.24 O HETATM 1970 O HOH 128 16.195 18.401 3.858 1.00 41.99 O HETATM 1971 O HOH 129 1.883 36.683 29.942 1.00 39.22 O HETATM 1972 O HOH 130 27.570 18.116 6.736 1.00 30.81 O HETATM 1973 O HOH 131 14.329 21.614 0.047 1.00 13.03 O HETATM 1974 O HOH 132 0.080 32.773 14.028 1.00 42.33 O HETATM 1975 O HOH 133 11.130 37.338 -7.066 1.00 56.54 O HETATM 1976 O HOH 134 -4.213 32.051 25.855 1.00 21.56 O HETATM 1977 O HOH 135 11.218 44.437 21.755 1.00 29.94 O HETATM 1978 O HOH 136 -3.263 40.689 20.255 1.00 61.02 O HETATM 1979 O HOH 137 8.628 46.206 17.985 1.00 54.28 O HETATM 1980 O HOH 138 -0.031 25.740 12.026 1.00 48.86 O HETATM 1981 O HOH 139 16.581 38.437 -0.701 1.00 18.27 O HETATM 1982 O HOH 140 30.104 36.707 2.818 1.00 37.69 O HETATM 1983 O HOH 141 31.752 26.272 -0.120 1.00 46.66 O HETATM 1984 O HOH 142 9.623 41.975 2.218 1.00 36.76 O HETATM 1985 O HOH 143 13.340 40.918 -0.888 1.00 52.89 O HETATM 1986 O HOH 144 12.249 46.409 3.545 1.00 52.55 O HETATM 1987 O HOH 145 19.007 15.831 5.298 1.00 43.61 O HETATM 1988 O HOH 146 -1.928 31.809 27.434 1.00 40.57 O HETATM 1989 O HOH 147 0.765 36.126 7.905 1.00 42.66 O HETATM 1990 O HOH 148 22.979 40.940 11.861 1.00 32.00 O HETATM 1991 O HOH 149 0.128 33.381 2.267 1.00 43.47 O HETATM 1992 O HOH 150 18.762 46.030 1.902 1.00 59.40 O HETATM 1993 O HOH 151 -5.328 31.484 19.812 1.00 55.04 O HETATM 1994 O HOH 152 15.840 38.445 -3.292 1.00 33.06 O HETATM 1995 O HOH 153 1.646 30.571 1.837 1.00 53.68 O HETATM 1996 O HOH 154 -1.755 29.551 17.060 1.00 68.77 O HETATM 1997 O HOH 155 21.199 48.118 1.234 1.00 66.45 O HETATM 1998 O HOH 156 23.117 19.718 1.722 1.00 31.00 O HETATM 1999 O HOH 157 12.564 15.582 9.574 1.00 35.99 O HETATM 2000 O HOH 158 22.852 17.426 6.166 1.00 16.83 O HETATM 2001 O HOH 159 32.579 29.101 -0.524 1.00 52.02 O HETATM 2002 O HOH 160 0.547 34.408 11.974 1.00 37.12 O HETATM 2003 O HOH 161 35.071 30.687 4.257 1.00 26.89 O HETATM 2004 O HOH 162 30.238 18.809 5.877 1.00 35.51 O HETATM 2005 O HOH 163 -6.213 34.031 20.210 1.00 69.66 O HETATM 2006 O HOH 164 -5.833 33.133 27.667 1.00 26.40 O HETATM 2007 O HOH 165 34.923 29.171 1.540 1.00 57.29 O HETATM 2008 O HOH 166 31.821 20.866 6.941 1.00 18.27 O HETATM 2009 O HOH 167 12.195 43.126 -0.335 1.00 63.00 O HETATM 2010 O HOH 168 20.047 16.258 2.911 1.00 55.66 O HETATM 2011 O HOH 169 28.077 23.142 19.663 1.00 46.21 O HETATM 2012 O HOH 170 18.097 17.725 1.610 1.00 30.69 O HETATM 2013 O HOH 171 1.235 30.263 -1.211 1.00 59.03 O HETATM 2014 O HOH 172 22.287 17.133 3.184 1.00 39.09 O HETATM 2015 O HOH 173 13.540 47.431 1.776 1.00 59.27 O HETATM 2016 O HOH 174 17.515 47.843 4.048 1.00 41.78 O HETATM 2017 O HOH 175 -5.730 31.082 29.568 1.00 53.20 O HETATM 2018 O HOH 176 10.228 37.908 -9.886 1.00 63.78 O HETATM 2019 O HOH 177 14.759 31.209 38.519 1.00 28.36 O HETATM 2020 O HOH 178 11.871 16.842 14.444 1.00 14.44 O HETATM 2021 O HOH 179 15.904 15.881 12.411 1.00 14.22 O HETATM 2022 O HOH 180 21.636 15.670 38.259 1.00 44.81 O HETATM 2023 O HOH 181 23.449 27.779 19.642 1.00 17.40 O HETATM 2024 O HOH 182 25.956 25.952 16.000 1.00 16.57 O HETATM 2025 O HOH 183 10.880 24.795 45.408 1.00 15.32 O HETATM 2026 O HOH 184 12.889 39.225 31.655 1.00 60.19 O HETATM 2027 O HOH 185 -1.435 9.663 35.116 1.00 59.18 O HETATM 2028 O HOH 186 5.564 20.008 44.742 1.00 58.83 O HETATM 2029 O HOH 187 25.058 23.323 26.911 1.00 68.28 O HETATM 2030 O HOH 188 24.441 15.736 26.536 1.00 27.90 O HETATM 2031 O HOH 189 16.773 35.847 26.386 1.00 18.16 O HETATM 2032 O HOH 190 6.370 44.031 17.230 1.00 27.96 O HETATM 2033 O HOH 191 0.193 25.372 35.400 1.00 33.41 O HETATM 2034 O HOH 192 14.663 5.270 37.080 1.00 16.81 O HETATM 2035 O HOH 193 5.225 15.795 21.817 1.00 32.34 O HETATM 2036 O HOH 194 3.691 7.910 28.457 1.00 35.31 O HETATM 2037 O HOH 195 16.153 5.134 34.905 1.00 14.34 O HETATM 2038 O HOH 196 22.210 8.937 35.244 1.00 48.81 O HETATM 2039 O HOH 197 24.391 13.718 20.981 1.00 26.55 O HETATM 2040 O HOH 198 4.351 6.577 32.018 1.00 33.55 O HETATM 2041 O HOH 199 22.934 12.752 13.284 1.00 21.81 O HETATM 2042 O HOH 200 12.758 27.176 44.371 1.00 11.20 O HETATM 2043 O HOH 201 22.835 26.032 28.487 1.00 38.78 O HETATM 2044 O HOH 202 10.596 10.436 15.775 1.00 62.51 O HETATM 2045 O HOH 203 12.213 16.308 40.405 1.00 13.25 O HETATM 2046 O HOH 204 4.272 19.087 22.998 1.00 29.49 O HETATM 2047 O HOH 205 6.600 15.572 26.002 1.00 17.93 O HETATM 2048 O HOH 206 24.452 15.704 11.286 1.00 23.59 O HETATM 2049 O HOH 207 18.582 32.216 36.817 1.00 40.93 O HETATM 2050 O HOH 208 7.956 34.548 37.521 1.00 19.41 O HETATM 2051 O HOH 209 3.139 29.067 36.135 1.00 17.64 O HETATM 2052 O HOH 210 22.001 12.149 14.932 1.00 27.94 O HETATM 2053 O HOH 211 1.022 28.799 25.532 1.00 14.82 O HETATM 2054 O HOH 212 21.915 40.016 20.033 1.00 38.56 O HETATM 2055 O HOH 213 2.534 19.887 18.608 1.00 36.20 O HETATM 2056 O HOH 214 7.432 23.920 18.270 1.00 8.88 O HETATM 2057 O HOH 215 10.175 22.423 47.001 1.00 47.77 O HETATM 2058 O HOH 216 8.249 7.718 34.186 1.00 16.56 O HETATM 2059 O HOH 217 18.484 20.201 47.238 1.00 11.41 O HETATM 2060 O HOH 218 26.587 22.340 23.922 1.00 43.06 O HETATM 2061 O HOH 219 13.842 44.292 23.465 1.00 28.29 O HETATM 2062 O HOH 220 18.417 20.931 17.172 1.00 7.00 O HETATM 2063 O HOH 221 2.637 18.980 29.701 1.00 11.30 O HETATM 2064 O HOH 222 3.655 12.817 27.761 1.00 48.50 O HETATM 2065 O HOH 223 8.773 21.939 16.775 1.00 8.76 O HETATM 2066 O HOH 224 11.051 14.623 15.987 1.00 13.69 O HETATM 2067 O HOH 225 13.184 19.168 42.916 1.00 17.42 O HETATM 2068 O HOH 226 22.300 5.837 28.306 1.00 62.68 O HETATM 2069 O HOH 227 7.735 7.508 23.576 1.00 47.80 O HETATM 2070 O HOH 228 19.120 34.388 30.330 1.00 24.18 O HETATM 2071 O HOH 229 21.606 34.316 28.035 1.00 20.76 O HETATM 2072 O HOH 230 21.948 27.034 22.922 1.00 15.47 O HETATM 2073 O HOH 231 19.230 16.643 45.186 1.00 29.58 O HETATM 2074 O HOH 232 21.072 28.333 35.751 1.00 27.28 O HETATM 2075 O HOH 233 15.348 5.471 23.436 1.00 25.29 O HETATM 2076 O HOH 234 1.638 34.503 28.500 1.00 17.99 O HETATM 2077 O HOH 235 23.189 34.562 24.466 1.00 19.37 O HETATM 2078 O HOH 236 16.389 9.363 40.558 1.00 42.03 O HETATM 2079 O HOH 237 -1.213 27.473 29.235 1.00 38.18 O HETATM 2080 O HOH 238 0.742 21.097 26.369 1.00 20.23 O HETATM 2081 O HOH 239 9.930 7.717 19.048 1.00 26.58 O HETATM 2082 O HOH 240 4.066 13.497 32.133 1.00 11.82 O HETATM 2083 O HOH 241 15.947 34.224 30.268 1.00 25.98 O HETATM 2084 O HOH 242 1.625 15.635 35.350 1.00 9.96 O HETATM 2085 O HOH 243 7.641 6.857 30.607 1.00 23.13 O HETATM 2086 O HOH 244 6.195 0.314 32.281 1.00 40.70 O HETATM 2087 O HOH 245 23.362 15.384 35.758 1.00 38.50 O HETATM 2088 O HOH 246 19.408 11.176 11.915 1.00 28.68 O HETATM 2089 O HOH 247 8.619 1.360 30.796 1.00 14.56 O HETATM 2090 O HOH 248 12.986 4.519 40.557 1.00 23.62 O HETATM 2091 O HOH 249 10.373 33.758 36.436 1.00 20.87 O HETATM 2092 O HOH 250 21.626 22.609 42.988 1.00 23.61 O HETATM 2093 O HOH 251 9.087 16.126 27.170 1.00 8.79 O HETATM 2094 O HOH 252 19.560 17.079 9.699 1.00 11.31 O HETATM 2095 O HOH 253 21.090 8.722 19.918 1.00 23.57 O HETATM 2096 O HOH 254 0.544 40.554 23.024 1.00 19.98 O HETATM 2097 O HOH 255 25.197 25.911 25.842 1.00 37.46 O HETATM 2098 O HOH 256 8.767 8.701 36.921 1.00 41.61 O HETATM 2099 O HOH 257 21.388 12.938 38.573 1.00 26.84 O HETATM 2100 O HOH 258 23.175 23.262 34.110 1.00 21.15 O HETATM 2101 O HOH 259 21.436 29.414 34.165 1.00 56.49 O HETATM 2102 O HOH 260 7.484 4.273 36.902 1.00 28.11 O HETATM 2103 O HOH 261 21.851 12.578 10.702 1.00 30.47 O HETATM 2104 O HOH 262 4.495 27.846 40.464 1.00 19.70 O HETATM 2105 O HOH 263 21.841 23.653 29.303 1.00 18.50 O HETATM 2106 O HOH 264 6.717 12.824 25.224 1.00 26.99 O HETATM 2107 O HOH 265 15.689 31.572 36.026 1.00 18.10 O HETATM 2108 O HOH 266 23.968 13.797 28.306 1.00 27.90 O HETATM 2109 O HOH 267 0.789 33.248 31.854 1.00 31.84 O HETATM 2110 O HOH 268 11.671 20.789 41.344 1.00 16.09 O HETATM 2111 O HOH 269 9.206 32.697 39.810 1.00 21.70 O HETATM 2112 O HOH 270 2.379 19.964 21.513 1.00 30.43 O HETATM 2113 O HOH 271 19.375 3.105 26.752 1.00 34.03 O HETATM 2114 O HOH 272 10.247 40.869 33.091 1.00 30.58 O HETATM 2115 O HOH 273 4.393 16.822 29.662 1.00 9.69 O HETATM 2116 O HOH 274 21.167 14.607 9.126 1.00 28.57 O HETATM 2117 O HOH 275 9.549 13.744 40.030 1.00 17.40 O HETATM 2118 O HOH 276 7.264 10.240 38.105 1.00 26.79 O HETATM 2119 O HOH 277 14.913 39.499 28.972 1.00 23.10 O HETATM 2120 O HOH 278 9.210 21.821 42.131 1.00 27.10 O HETATM 2121 O HOH 279 11.926 42.690 29.149 1.00 38.20 O HETATM 2122 O HOH 280 6.867 21.425 40.547 1.00 22.14 O HETATM 2123 O HOH 281 19.537 37.868 18.883 1.00 13.79 O HETATM 2124 O HOH 282 21.991 6.057 31.966 1.00 47.82 O HETATM 2125 O HOH 283 8.095 -0.975 29.294 1.00 24.97 O HETATM 2126 O HOH 284 15.635 13.013 40.565 1.00 43.04 O HETATM 2127 O HOH 285 5.163 38.001 35.429 1.00 76.21 O HETATM 2128 O HOH 286 4.908 30.435 39.689 1.00 23.35 O HETATM 2129 O HOH 287 2.337 42.090 22.034 1.00 41.32 O HETATM 2130 O HOH 288 26.663 27.792 19.084 1.00 60.53 O HETATM 2131 O HOH 289 20.645 32.280 37.974 1.00 72.36 O HETATM 2132 O HOH 290 4.568 42.865 29.236 1.00 59.63 O HETATM 2133 O HOH 291 6.004 39.673 33.063 1.00 38.39 O HETATM 2134 O HOH 292 17.321 15.362 10.019 1.00 16.04 O HETATM 2135 O HOH 293 24.053 26.017 21.519 1.00 23.57 O HETATM 2136 O HOH 294 14.503 5.074 20.785 1.00 27.52 O HETATM 2137 O HOH 295 21.238 18.658 44.380 1.00 39.46 O HETATM 2138 O HOH 296 19.667 4.675 32.167 1.00 38.01 O HETATM 2139 O HOH 297 8.237 20.744 44.457 1.00 49.25 O HETATM 2140 O HOH 298 6.737 31.984 40.855 1.00 24.75 O HETATM 2141 O HOH 299 6.213 -1.923 30.841 1.00 46.28 O HETATM 2142 O HOH 300 6.978 4.675 31.919 1.00 48.01 O HETATM 2143 O HOH 301 8.081 11.557 40.140 1.00 36.88 O HETATM 2144 O HOH 302 23.379 11.246 37.020 1.00 59.47 O HETATM 2145 O HOH 303 17.476 35.973 28.950 1.00 21.58 O HETATM 2146 O HOH 304 4.280 20.946 41.502 1.00 23.43 O HETATM 2147 O HOH 305 22.078 26.323 37.438 1.00 32.13 O HETATM 2148 O HOH 306 13.239 16.527 12.007 1.00 17.25 O HETATM 2149 O HOH 307 3.909 15.506 27.333 1.00 29.37 O HETATM 2150 O HOH 308 19.800 31.586 34.132 1.00 38.83 O HETATM 2151 O HOH 309 16.298 2.448 34.686 1.00 14.98 O HETATM 2152 O HOH 310 22.401 37.861 16.046 1.00 53.53 O HETATM 2153 O HOH 311 -0.205 28.079 27.265 1.00 48.99 O HETATM 2154 O HOH 312 2.963 31.920 39.124 1.00 57.50 O HETATM 2155 O HOH 313 11.941 4.813 19.858 1.00 42.42 O HETATM 2156 O HOH 314 22.091 20.485 44.771 1.00 48.50 O HETATM 2157 O HOH 315 2.116 26.782 39.600 1.00 56.12 O HETATM 2158 O HOH 316 1.883 32.366 36.762 1.00 35.25 O HETATM 2159 O HOH 317 24.449 6.996 28.893 1.00 49.90 O HETATM 2160 O HOH 318 16.042 6.904 41.123 1.00 53.07 O HETATM 2161 O HOH 319 4.448 42.390 22.873 1.00 31.07 O HETATM 2162 O HOH 320 2.638 19.221 24.863 1.00 42.48 O HETATM 2163 O HOH 321 17.504 38.604 28.553 1.00 34.67 O HETATM 2164 O HOH 322 20.633 7.407 17.497 1.00 55.19 O HETATM 2165 O HOH 323 11.743 16.647 43.105 1.00 27.39 O HETATM 2166 O HOH 324 11.403 44.634 24.396 1.00 48.30 O HETATM 2167 O HOH 325 1.908 11.882 32.065 1.00 31.37 O HETATM 2168 O HOH 326 23.375 15.421 8.026 1.00 39.24 O HETATM 2169 O HOH 327 15.190 35.290 32.696 1.00 40.06 O HETATM 2170 O HOH 328 15.432 2.504 20.403 1.00 52.67 O HETATM 2171 O HOH 329 6.402 2.791 31.685 1.00 44.58 O HETATM 2172 O HOH 330 18.302 12.754 9.550 1.00 38.65 O HETATM 2173 O HOH 331 10.072 7.286 16.116 1.00 53.91 O HETATM 2174 O HOH 332 12.376 13.625 39.904 1.00 20.58 O HETATM 2175 O HOH 333 10.268 43.713 31.324 1.00 53.37 O HETATM 2176 O HOH 334 25.145 23.614 21.448 1.00 50.10 O HETATM 2177 O HOH 335 12.616 35.000 35.949 1.00 43.61 O HETATM 2178 O HOH 336 12.278 8.527 14.110 1.00 59.59 O HETATM 2179 O HOH 337 22.122 34.298 30.527 1.00 57.58 O HETATM 2180 O HOH 338 13.845 12.727 42.049 1.00 37.30 O HETATM 2181 O HOH 339 16.101 3.071 38.850 1.00 39.02 O HETATM 2182 O HOH 340 23.161 24.939 43.244 1.00 43.43 O HETATM 2183 O HOH 341 14.672 33.749 34.900 1.00 28.84 O HETATM 2184 O HOH 342 13.642 6.208 43.185 1.00 68.78 O HETATM 2185 O HOH 343 24.457 20.893 45.399 1.00 59.85 O HETATM 2186 O HOH 344 14.010 8.564 11.726 1.00 53.25 O HETATM 2187 O HOH 345 25.074 23.750 45.075 1.00 55.00 O HETATM 2188 C14 B A 0 8.212 14.749 18.397 1.00 0.20 C HETATM 2189 O61 B A 0 8.639 14.878 17.276 1.00 -0.39 O HETATM 2190 C13 B A 0 7.012 13.785 18.678 1.00 0.04 C HETATM 2191 C12 B A 0 6.070 13.765 17.465 1.00 -0.04 C HETATM 2192 C11 B A 0 4.644 14.173 17.887 1.00 -0.05 C HETATM 2193 C10 B A 0 4.040 15.085 16.824 1.00 -0.04 C HETATM 2194 C02 B A 0 2.893 15.980 17.464 1.00 0.03 C HETATM 2195 S01 B A 0 1.439 15.244 17.265 1.00 -0.15 S HETATM 2196 C09 B A 0 0.515 16.336 16.417 1.00 0.02 C HETATM 2197 C04 B A 0 1.451 17.592 16.143 1.00 0.07 C HETATM 2198 N05 B A 0 1.599 17.770 14.815 1.00 -0.27 N HETATM 2199 C06 B A 0 3.065 17.661 14.502 1.00 0.26 C HETATM 2200 O08 B A 0 3.572 17.767 13.408 1.00 -0.40 O HETATM 2201 N07 B A 0 3.784 17.397 15.789 1.00 -0.27 N HETATM 2202 C03 B A 0 2.857 17.352 16.773 1.00 0.08 C HETATM 2203 H15 B A 0 3.068 18.138 17.514 1.00 0.06 H HETATM 2204 H14 B A 0 4.770 17.276 15.901 1.00 0.18 H HETATM 2205 H13 B A 0 0.866 17.943 14.157 1.00 0.18 H HETATM 2206 H12 B A 0 0.996 18.490 16.587 1.00 0.06 H HETATM 2207 H10 B A 0 -0.361 16.636 17.011 1.00 0.04 H HETATM 2208 H11 B A 0 0.181 15.895 15.466 1.00 0.04 H HETATM 2209 H9 B A 0 3.092 16.115 18.537 1.00 0.04 H HETATM 2210 H7 B A 0 3.615 14.471 16.016 1.00 0.03 H HETATM 2211 H8 B A 0 4.825 15.737 16.415 1.00 0.03 H HETATM 2212 H5 B A 0 4.685 14.707 18.848 1.00 0.03 H HETATM 2213 H6 B A 0 4.021 13.272 17.994 1.00 0.03 H HETATM 2214 H3 B A 0 6.046 12.750 17.041 1.00 0.03 H HETATM 2215 H4 B A 0 6.440 14.471 16.707 1.00 0.03 H HETATM 2216 H1 B A 0 6.461 14.135 19.563 1.00 0.05 H HETATM 2217 H2 B A 0 7.394 12.770 18.861 1.00 0.05 H HETATM 2218 N15 B A 0 8.782 15.469 19.505 1.00 -0.24 N HETATM 2219 C16 B A 0 9.898 16.400 19.347 1.00 0.04 C HETATM 2220 C17 B A 0 10.734 16.587 20.440 1.00 -0.05 C HETATM 2221 C18 B A 0 11.669 17.639 20.432 1.00 -0.04 C HETATM 2222 C19 B A 0 12.537 17.889 21.660 1.00 -0.04 C HETATM 2223 H16 B A 0 12.290 17.153 22.439 1.00 0.04 H HETATM 2224 H17 B A 0 12.350 18.904 22.041 1.00 0.04 H HETATM 2225 H18 B A 0 13.598 17.790 21.386 1.00 0.04 H HETATM 2226 C20 B A 0 11.777 18.440 19.277 1.00 0.08 C HETATM 2227 C58 B A 0 10.952 18.250 18.164 1.00 -0.04 C HETATM 2228 C60 B A 0 9.958 17.232 18.206 1.00 -0.05 C HETATM 2229 H21 B A 0 9.264 17.098 17.384 1.00 0.04 H HETATM 2230 C59 B A 0 11.067 19.164 16.949 1.00 -0.04 C HETATM 2231 H22 B A 0 10.338 18.853 16.186 1.00 0.04 H HETATM 2232 H23 B A 0 12.083 19.096 16.534 1.00 0.04 H HETATM 2233 H24 B A 0 10.862 20.202 17.250 1.00 0.04 H HETATM 2234 O21 B A 0 12.745 19.476 19.218 1.00 -0.31 O HETATM 2235 C22 B A 0 14.006 18.946 18.790 1.00 0.15 C HETATM 2236 C23 B A 0 14.872 20.117 18.346 1.00 0.21 C HETATM 2237 O57 B A 0 16.084 19.999 18.285 1.00 -0.39 O HETATM 2238 N24 B A 0 14.192 21.310 17.994 1.00 -0.28 N HETATM 2239 C25 B A 0 14.951 22.454 17.568 1.00 0.09 C HETATM 2240 C33 B A 0 15.019 23.414 18.730 1.00 0.17 C HETATM 2241 C34 B A 0 16.317 24.230 18.641 1.00 0.21 C HETATM 2242 O35 B A 0 16.428 25.273 18.023 1.00 -0.39 O HETATM 2243 N36 B A 0 17.452 23.691 19.333 1.00 -0.24 N HETATM 2244 C37 B A 0 18.777 24.501 19.296 1.00 0.15 C HETATM 2245 C38 B A 0 19.401 24.425 18.039 1.00 0.21 C HETATM 2246 O50 B A 0 19.417 23.472 17.289 1.00 -0.39 O HETATM 2247 N39 B A 0 20.083 25.650 17.702 1.00 -0.27 N HETATM 2248 C40 B A 0 20.905 25.800 16.590 1.00 0.10 C HETATM 2249 C41 B A 0 20.322 26.441 15.420 1.00 -0.01 C HETATM 2250 C46 B A 0 19.006 26.105 14.762 1.00 -0.06 C HETATM 2251 C45 B A 0 18.657 26.826 13.537 1.00 -0.08 C HETATM 2252 C44 B A 0 19.602 27.772 12.948 1.00 -0.08 C HETATM 2253 C43 B A 0 20.915 28.024 13.566 1.00 -0.07 C HETATM 2254 C42 B A 0 21.254 27.252 14.828 1.00 -0.04 C HETATM 2255 C47 B A 0 22.504 27.376 15.619 1.00 0.01 C HETATM 2256 C48 B A 0 21.998 26.795 16.942 1.00 0.10 C HETATM 2257 O49 B A 0 21.502 27.805 17.774 1.00 -0.39 O HETATM 2258 H48 B A 0 22.201 28.415 17.981 1.00 0.21 H HETATM 2259 H52 B A 0 22.820 26.278 17.459 1.00 0.07 H HETATM 2260 H55 B A 0 23.325 26.780 15.192 1.00 0.04 H HETATM 2261 H56 B A 0 22.826 28.423 15.723 1.00 0.04 H HETATM 2262 H53 B A 0 21.613 28.734 13.136 1.00 0.05 H HETATM 2263 H54 B A 0 19.332 28.298 12.040 1.00 0.05 H HETATM 2264 H51 B A 0 17.695 26.658 13.066 1.00 0.05 H HETATM 2265 H50 B A 0 18.343 25.357 15.181 1.00 0.05 H HETATM 2266 H49 B A 0 21.315 24.816 16.318 1.00 0.07 H HETATM 2267 H47 B A 0 19.957 26.439 18.304 1.00 0.19 H HETATM 2268 C51 B A 0 19.515 23.892 20.487 1.00 0.05 C HETATM 2269 C52 B A 0 19.004 24.672 21.765 1.00 -0.05 C HETATM 2270 H41 B A 0 19.504 24.275 22.661 1.00 0.02 H HETATM 2271 H42 B A 0 17.916 24.541 21.864 1.00 0.02 H HETATM 2272 H43 B A 0 19.237 25.742 21.659 1.00 0.02 H HETATM 2273 C53 B A 0 21.001 24.153 20.321 1.00 -0.05 C HETATM 2274 H44 B A 0 21.371 23.616 19.435 1.00 0.02 H HETATM 2275 H45 B A 0 21.537 23.800 21.214 1.00 0.02 H HETATM 2276 H46 B A 0 21.172 25.232 20.194 1.00 0.02 H HETATM 2277 S54 B A 0 19.145 22.236 20.567 1.00 -0.13 S HETATM 2278 C55 B A 0 17.579 22.481 20.172 1.00 0.08 C HETATM 2279 H39 B A 0 17.204 21.610 19.614 1.00 0.06 H HETATM 2280 H40 B A 0 16.988 22.611 21.090 1.00 0.06 H HETATM 2281 H38 B A 0 18.582 25.565 19.497 1.00 0.08 H HETATM 2282 O56 B A 0 13.962 24.312 18.733 1.00 -0.37 O HETATM 2283 H33 B A 0 14.045 24.895 19.479 1.00 0.21 H HETATM 2284 H28 B A 0 15.006 22.838 19.667 1.00 0.09 H HETATM 2285 C26 B A 0 14.296 23.106 16.363 1.00 0.01 C HETATM 2286 C27 B A 0 14.113 22.032 15.248 1.00 -0.04 C HETATM 2287 C28 B A 0 15.227 21.551 14.514 1.00 -0.06 C HETATM 2288 C29 B A 0 15.032 20.553 13.544 1.00 -0.07 C HETATM 2289 C30 B A 0 13.755 20.038 13.296 1.00 -0.07 C HETATM 2290 C31 B A 0 12.643 20.524 14.003 1.00 -0.07 C HETATM 2291 C32 B A 0 12.840 21.528 14.987 1.00 -0.06 C HETATM 2292 H35 B A 0 11.990 21.907 15.542 1.00 0.06 H HETATM 2293 H37 B A 0 11.650 20.139 13.800 1.00 0.06 H HETATM 2294 H31 B A 0 13.623 19.259 12.554 1.00 0.06 H HETATM 2295 H36 B A 0 15.880 20.178 12.982 1.00 0.06 H HETATM 2296 H34 B A 0 16.218 21.949 14.699 1.00 0.06 H HETATM 2297 H29 B A 0 13.315 23.512 16.650 1.00 0.05 H HETATM 2298 H30 B A 0 14.935 23.920 15.991 1.00 0.05 H HETATM 2299 H32 B A 0 15.969 22.139 17.293 1.00 0.06 H HETATM 2300 H27 B A 0 13.194 21.355 18.042 1.00 0.19 H HETATM 2301 H25 B A 0 13.855 18.252 17.950 1.00 0.08 H HETATM 2302 H26 B A 0 14.491 18.415 19.622 1.00 0.08 H HETATM 2303 H19 B A 0 10.667 15.925 21.296 1.00 0.04 H HETATM 2304 H20 B A 0 8.400 15.327 20.418 1.00 0.22 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 922 923 928 929 930 CONECT 929 922 CONECT 930 922 CONECT 2188 2189 2190 2218 CONECT 2189 2188 CONECT 2190 2188 2191 2216 2217 CONECT 2191 2190 2192 2214 2215 CONECT 2192 2191 2193 2212 2213 CONECT 2193 2192 2194 2210 2211 CONECT 2194 2193 2195 2202 2209 CONECT 2195 2194 2196 CONECT 2196 2195 2197 2207 2208 CONECT 2197 2196 2198 2202 2206 CONECT 2198 2197 2199 2205 CONECT 2199 2198 2200 2201 CONECT 2200 2199 CONECT 2201 2199 2202 2204 CONECT 2202 2194 2197 2201 2203 CONECT 2203 2202 CONECT 2204 2201 CONECT 2205 2198 CONECT 2206 2197 CONECT 2207 2196 CONECT 2208 2196 CONECT 2209 2194 CONECT 2210 2193 CONECT 2211 2193 CONECT 2212 2192 CONECT 2213 2192 CONECT 2214 2191 CONECT 2215 2191 CONECT 2216 2190 CONECT 2217 2190 CONECT 2218 2188 2219 2304 CONECT 2219 2218 2220 2228 CONECT 2220 2219 2221 2303 CONECT 2221 2220 2222 2226 CONECT 2222 2221 2223 2224 2225 CONECT 2223 2222 CONECT 2224 2222 CONECT 2225 2222 CONECT 2226 2221 2227 2234 CONECT 2227 2226 2228 2230 CONECT 2228 2219 2227 2229 CONECT 2229 2228 CONECT 2230 2227 2231 2232 2233 CONECT 2231 2230 CONECT 2232 2230 CONECT 2233 2230 CONECT 2234 2226 2235 CONECT 2235 2234 2236 2301 2302 CONECT 2236 2235 2237 2238 CONECT 2237 2236 CONECT 2238 2236 2239 2300 CONECT 2239 2238 2240 2285 2299 CONECT 2240 2239 2241 2282 2284 CONECT 2241 2240 2242 2243 CONECT 2242 2241 CONECT 2243 2241 2244 2278 CONECT 2244 2243 2245 2268 2281 CONECT 2245 2244 2246 2247 CONECT 2246 2245 CONECT 2247 2245 2248 2267 CONECT 2248 2247 2249 2256 2266 CONECT 2249 2248 2250 2254 CONECT 2250 2249 2251 2265 CONECT 2251 2250 2252 2264 CONECT 2252 2251 2253 2263 CONECT 2253 2252 2254 2262 CONECT 2254 2249 2253 2255 CONECT 2255 2254 2256 2260 2261 CONECT 2256 2248 2255 2257 2259 CONECT 2257 2256 2258 CONECT 2258 2257 CONECT 2259 2256 CONECT 2260 2255 CONECT 2261 2255 CONECT 2262 2253 CONECT 2263 2252 CONECT 2264 2251 CONECT 2265 2250 CONECT 2266 2248 CONECT 2267 2247 CONECT 2268 2244 2269 2273 2277 CONECT 2269 2268 2270 2271 2272 CONECT 2270 2269 CONECT 2271 2269 CONECT 2272 2269 CONECT 2273 2268 2274 2275 2276 CONECT 2274 2273 CONECT 2275 2273 CONECT 2276 2273 CONECT 2277 2268 2278 CONECT 2278 2243 2277 2279 2280 CONECT 2279 2278 CONECT 2280 2278 CONECT 2281 2244 CONECT 2282 2240 2283 CONECT 2283 2282 CONECT 2284 2240 CONECT 2285 2239 2286 2297 2298 CONECT 2286 2285 2287 2291 CONECT 2287 2286 2288 2296 CONECT 2288 2287 2289 2295 CONECT 2289 2288 2290 2294 CONECT 2290 2289 2291 2293 CONECT 2291 2286 2290 2292 CONECT 2292 2291 CONECT 2293 2290 CONECT 2294 2289 CONECT 2295 2288 CONECT 2296 2287 CONECT 2297 2285 CONECT 2298 2285 CONECT 2299 2239 CONECT 2300 2238 CONECT 2301 2235 CONECT 2302 2235 CONECT 2303 2220 CONECT 2304 2218 MASTER 0 0 0 0 0 0 0 0 2302 2 123 16 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6ixd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a94
RCSB PDB
PDBbind
99aa, >1A94_1|Chains... at 90%
1aid
RCSB PDB
PDBbind
99aa, >1AID_1|Chains... at 91%
1b6j
RCSB PDB
PDBbind
99aa, >1B6J_1|Chains... at 93%
1b6k
RCSB PDB
PDBbind
99aa, >1B6K_1|Chains... at 95%
1b6l
RCSB PDB
PDBbind
99aa, >1B6L_1|Chains... at 95%
1b6m
RCSB PDB
PDBbind
99aa, >1B6M_1|Chains... at 95%
1b6p
RCSB PDB
PDBbind
99aa, >1B6P_1|Chains... at 95%
1cpi
RCSB PDB
PDBbind
99aa, >1CPI_1|Chains... at 93%
1d4k
RCSB PDB
PDBbind
99aa, >1D4K_1|Chains... at 95%
1d4l
RCSB PDB
PDBbind
99aa, >1D4L_1|Chains... at 95%
1kzk
RCSB PDB
PDBbind
99aa, >1KZK_1|Chains... at 92%
1mtr
RCSB PDB
PDBbind
99aa, >1MTR_1|Chains... at 95%
1sdt
RCSB PDB
PDBbind
99aa, >1SDT_1|Chains... at 91%
1sdu
RCSB PDB
PDBbind
99aa, >1SDU_1|Chains... at 90%
1sdv
RCSB PDB
PDBbind
99aa, >1SDV_1|Chains... at 90%
1z1h
RCSB PDB
PDBbind
99aa, >1Z1H_1|Chains... at 95%
1z1r
RCSB PDB
PDBbind
99aa, >1Z1R_1|Chains... at 95%
2aoc
RCSB PDB
PDBbind
99aa, >2AOC_1|Chains... at 90%
2aod
RCSB PDB
PDBbind
99aa, >2AOD_1|Chains... at 91%
2aoe
RCSB PDB
PDBbind
99aa, >2AOE_1|Chains... at 90%
2aog
RCSB PDB
PDBbind
99aa, >2AOG_1|Chains... at 90%
2aoh
RCSB PDB
PDBbind
99aa, >2AOH_1|Chains... at 90%
2avm
RCSB PDB
PDBbind
99aa, >2AVM_1|Chains... at 90%
2avo
RCSB PDB
PDBbind
99aa, >2AVO_1|Chains... at 90%
2avq
RCSB PDB
PDBbind
99aa, >2AVQ_1|Chains... at 90%
2avs
RCSB PDB
PDBbind
99aa, >2AVS_1|Chains... at 90%
2avv
RCSB PDB
PDBbind
99aa, >2AVV_1|Chains... at 90%
2f3k
RCSB PDB
PDBbind
99aa, >2F3K_1|Chains... at 91%
2f80
RCSB PDB
PDBbind
99aa, >2F80_1|Chains... at 90%
2f81
RCSB PDB
PDBbind
99aa, >2F81_1|Chains... at 90%
2f8g
RCSB PDB
PDBbind
99aa, >2F8G_1|Chains... at 90%
2fgu
RCSB PDB
PDBbind
99aa, >2FGU_1|Chains... at 91%
2fgv
RCSB PDB
PDBbind
99aa, >2FGV_1|Chains... at 91%
2hb3
RCSB PDB
PDBbind
99aa, >2HB3_1|Chains... at 91%
2hs1
RCSB PDB
PDBbind
99aa, >2HS1_1|Chains... at 90%
2hs2
RCSB PDB
PDBbind
99aa, >2HS2_1|Chains... at 92%
2i0a
RCSB PDB
PDBbind
99aa, >2I0A_1|Chains... at 91%
2i0d
RCSB PDB
PDBbind
99aa, >2I0D_1|Chains... at 91%
2idw
RCSB PDB
PDBbind
99aa, >2IDW_1|Chains... at 90%
2ien
RCSB PDB
PDBbind
99aa, >2IEN_1|Chains... at 91%
2ieo
RCSB PDB
PDBbind
99aa, >2IEO_1|Chains... at 90%
2nmy
RCSB PDB
PDBbind
99aa, >2NMY_1|Chains... at 90%
2nmz
RCSB PDB
PDBbind
99aa, >2NMZ_1|Chains... at 90%
2nnk
RCSB PDB
PDBbind
99aa, >2NNK_1|Chains... at 90%
2nnp
RCSB PDB
PDBbind
99aa, >2NNP_1|Chains... at 90%
2nxd
RCSB PDB
PDBbind
99aa, >2NXD_1|Chains... at 90%
2nxl
RCSB PDB
PDBbind
99aa, >2NXL_1|Chains... at 90%
2nxm
RCSB PDB
PDBbind
99aa, >2NXM_1|Chains... at 90%
2psu
RCSB PDB
PDBbind
99aa, >2PSU_1|Chains... at 91%
2psv
RCSB PDB
PDBbind
99aa, >2PSV_1|Chains... at 91%
2q54
RCSB PDB
PDBbind
99aa, >2Q54_1|Chains... at 91%
2q55
RCSB PDB
PDBbind
99aa, >2Q55_1|Chains... at 91%
2q5k
RCSB PDB
PDBbind
99aa, >2Q5K_1|Chains... at 91%
2qci
RCSB PDB
PDBbind
99aa, >2QCI_1|Chains... at 90%
2qd6
RCSB PDB
PDBbind
99aa, >2QD6_1|Chains... at 90%
2qd7
RCSB PDB
PDBbind
99aa, >2QD7_1|Chains... at 90%
2qd8
RCSB PDB
PDBbind
99aa, >2QD8_1|Chains... at 90%
2qhy
RCSB PDB
PDBbind
99aa, >2QHY_1|Chains... at 91%
2qhz
RCSB PDB
PDBbind
99aa, >2QHZ_1|Chains... at 91%
2qi0
RCSB PDB
PDBbind
99aa, >2QI0_1|Chains... at 91%
2qi1
RCSB PDB
PDBbind
99aa, >2QI1_1|Chains... at 91%
2qi3
RCSB PDB
PDBbind
99aa, >2QI3_1|Chains... at 91%
2qi4
RCSB PDB
PDBbind
99aa, >2QI4_1|Chains... at 91%
2qi5
RCSB PDB
PDBbind
99aa, >2QI5_1|Chains... at 91%
2qi6
RCSB PDB
PDBbind
99aa, >2QI6_1|Chains... at 91%
2qi7
RCSB PDB
PDBbind
99aa, >2QI7_1|Chains... at 91%
2z4o
RCSB PDB
PDBbind
99aa, >2Z4O_1|Chains... at 91%
3a2o
RCSB PDB
PDBbind
99aa, >3A2O_1|Chains... at 91%
3aid
RCSB PDB
PDBbind
99aa, >3AID_1|Chains... at 92%
3bva
RCSB PDB
PDBbind
99aa, >3BVA_1|Chains... at 90%
3bvb
RCSB PDB
PDBbind
99aa, >3BVB_1|Chains... at 90%
3bxs
RCSB PDB
PDBbind
99aa, >3BXS_1|Chains... at 95%
3cyw
RCSB PDB
PDBbind
99aa, >3CYW_1|Chains... at 90%
3cyx
RCSB PDB
PDBbind
99aa, >3CYX_1|Chains... at 90%
3d1x
RCSB PDB
PDBbind
99aa, >3D1X_1|Chains... at 90%
3d1y
RCSB PDB
PDBbind
99aa, >3D1Y_1|Chains... at 90%
3d1z
RCSB PDB
PDBbind
99aa, >3D1Z_1|Chains... at 90%
3d20
RCSB PDB
PDBbind
99aa, >3D20_1|Chains... at 90%
3dcr
RCSB PDB
PDBbind
99aa, >3DCR_1|Chains... at 98%
3djk
RCSB PDB
PDBbind
99aa, >3DJK_1|Chains... at 91%
3dk1
RCSB PDB
PDBbind
99aa, >3DK1_1|Chains... at 91%
3ekv
RCSB PDB
PDBbind
99aa, >3EKV_1|Chains... at 91%
3ekx
RCSB PDB
PDBbind
99aa, >3EKX_1|Chains... at 91%
3eky
RCSB PDB
PDBbind
99aa, >3EKY_1|Chains... at 91%
3el1
RCSB PDB
PDBbind
99aa, >3EL1_1|Chains... at 92%
3el9
RCSB PDB
PDBbind
99aa, >3EL9_1|Chains... at 90%
3fsm
RCSB PDB
PDBbind
203aa, >3FSM_1|Chain... *
3gi4
RCSB PDB
PDBbind
99aa, >3GI4_1|Chains... at 91%
3gi5
RCSB PDB
PDBbind
99aa, >3GI5_1|Chains... at 91%
3gi6
RCSB PDB
PDBbind
99aa, >3GI6_1|Chains... at 91%
3h5b
RCSB PDB
PDBbind
99aa, >3H5B_1|Chains... at 91%
3hau
RCSB PDB
PDBbind
99aa, >3HAU_1|Chains... at 98%
3haw
RCSB PDB
PDBbind
99aa, >3HAW_1|Chains... at 100%
3hbo
RCSB PDB
PDBbind
99aa, >3HBO_1|Chains... at 100%
3hdk
RCSB PDB
PDBbind
99aa, >3HDK_1|Chains... at 100%
3hlo
RCSB PDB
PDBbind
203aa, >3HLO_1|Chain... at 99%
3i6o
RCSB PDB
PDBbind
99aa, >3I6O_1|Chains... at 91%
3i7e
RCSB PDB
PDBbind
99aa, >3I7E_1|Chains... at 92%
3iaw
RCSB PDB
PDBbind
203aa, >3IAW_1|Chain... at 99%
3ka2
RCSB PDB
PDBbind
203aa, >3KA2_1|Chain... at 99%
3lzv
RCSB PDB
PDBbind
99aa, >3LZV_1|Chains... at 90%
3mxd
RCSB PDB
PDBbind
99aa, >3MXD_1|Chains... at 91%
3mxe
RCSB PDB
PDBbind
99aa, >3MXE_1|Chains... at 91%
3nu3
RCSB PDB
PDBbind
99aa, >3NU3_1|Chains... at 91%
3nu4
RCSB PDB
PDBbind
99aa, >3NU4_1|Chains... at 90%
3nu5
RCSB PDB
PDBbind
99aa, >3NU5_1|Chains... at 90%
3nu6
RCSB PDB
PDBbind
99aa, >3NU6_1|Chains... at 90%
3nu9
RCSB PDB
PDBbind
99aa, >3NU9_1|Chains... at 90%
3nuj
RCSB PDB
PDBbind
99aa, >3NUJ_1|Chains... at 90%
3nuo
RCSB PDB
PDBbind
99aa, >3NUO_1|Chains... at 90%
3o99
RCSB PDB
PDBbind
99aa, >3O99_1|Chains... at 91%
3o9a
RCSB PDB
PDBbind
99aa, >3O9A_1|Chains... at 91%
3o9b
RCSB PDB
PDBbind
99aa, >3O9B_1|Chains... at 91%
3o9c
RCSB PDB
PDBbind
99aa, >3O9C_1|Chains... at 91%
3o9d
RCSB PDB
PDBbind
99aa, >3O9D_1|Chains... at 91%
3o9e
RCSB PDB
PDBbind
99aa, >3O9E_1|Chains... at 91%
3o9f
RCSB PDB
PDBbind
99aa, >3O9F_1|Chains... at 91%
3o9g
RCSB PDB
PDBbind
99aa, >3O9G_1|Chains... at 91%
3o9h
RCSB PDB
PDBbind
99aa, >3O9H_1|Chains... at 91%
3o9i
RCSB PDB
PDBbind
99aa, >3O9I_1|Chains... at 91%
3ok9
RCSB PDB
PDBbind
99aa, >3OK9_1|Chains... at 91%
3oxc
RCSB PDB
PDBbind
99aa, >3OXC_1|Chains... at 91%
3pwm
RCSB PDB
PDBbind
99aa, >3PWM_1|Chains... at 90%
3qaa
RCSB PDB
PDBbind
99aa, >3QAA_1|Chains... at 91%
3st5
RCSB PDB
PDBbind
99aa, >3ST5_1|Chains... at 91%
3vf5
RCSB PDB
PDBbind
99aa, >3VF5_1|Chains... at 90%
3vf7
RCSB PDB
PDBbind
99aa, >3VF7_1|Chains... at 90%
3vfa
RCSB PDB
PDBbind
99aa, >3VFA_1|Chains... at 90%
3vfb
RCSB PDB
PDBbind
99aa, >3VFB_1|Chains... at 90%
4dfg
RCSB PDB
PDBbind
99aa, >4DFG_1|Chains... at 91%
4djo
RCSB PDB
PDBbind
99aa, >4DJO_1|Chains... at 91%
4djp
RCSB PDB
PDBbind
99aa, >4DJP_1|Chains... at 91%
4djq
RCSB PDB
PDBbind
99aa, >4DJQ_1|Chains... at 91%
4djr
RCSB PDB
PDBbind
99aa, >4DJR_1|Chains... at 91%
4ej8
RCSB PDB
PDBbind
99aa, >4EJ8_1|Chains... at 92%
4ejl
RCSB PDB
PDBbind
99aa, >4EJL_1|Chains... at 92%
4ep2
RCSB PDB
PDBbind
203aa, >4EP2_1|Chain... at 90%
4hdb
RCSB PDB
PDBbind
99aa, >4HDB_1|Chains... at 90%
4hdf
RCSB PDB
PDBbind
99aa, >4HDF_1|Chains... at 90%
4hdp
RCSB PDB
PDBbind
99aa, >4HDP_1|Chains... at 90%
4he9
RCSB PDB
PDBbind
99aa, >4HE9_1|Chains... at 90%
4heg
RCSB PDB
PDBbind
99aa, >4HEG_1|Chains... at 90%
4kb9
RCSB PDB
PDBbind
99aa, >4KB9_1|Chains... at 91%
4q1w
RCSB PDB
PDBbind
99aa, >4Q1W_1|Chains... at 90%
4q1x
RCSB PDB
PDBbind
99aa, >4Q1X_1|Chains... at 90%
4q1y
RCSB PDB
PDBbind
99aa, >4Q1Y_1|Chains... at 90%
4u8w
RCSB PDB
PDBbind
99aa, >4U8W_1|Chains... at 91%
4zip
RCSB PDB
PDBbind
99aa, >4ZIP_1|Chains... at 91%
4zls
RCSB PDB
PDBbind
99aa, >4ZLS_1|Chains... at 91%
5bry
RCSB PDB
PDBbind
99aa, >5BRY_1|Chains... at 91%
5bs4
RCSB PDB
PDBbind
99aa, >5BS4_1|Chains... at 91%
5dgu
RCSB PDB
PDBbind
99aa, >5DGU_1|Chains... at 91%
5dgw
RCSB PDB
PDBbind
99aa, >5DGW_1|Chains... at 91%
5jfp
RCSB PDB
PDBbind
99aa, >5JFP_1|Chains... at 91%
5jfu
RCSB PDB
PDBbind
99aa, >5JFU_1|Chains... at 91%
5jg1
RCSB PDB
PDBbind
99aa, >5JG1_1|Chains... at 91%
5ult
RCSB PDB
PDBbind
99aa, >5ULT_1|Chains... at 91%
5uov
RCSB PDB
PDBbind
99aa, >5UOV_1|Chains... at 91%
5upz
RCSB PDB
PDBbind
99aa, >5UPZ_1|Chains... at 91%
5wlo
RCSB PDB
PDBbind
99aa, >5WLO_1|Chains... at 91%
6b4n
RCSB PDB
PDBbind
99aa, >6B4N_1|Chains... at 91%
6c8x
RCSB PDB
PDBbind
99aa, >6C8X_1|Chains... at 91%
6cdj
RCSB PDB
PDBbind
99aa, >6CDJ_1|Chains... at 91%
6cdl
RCSB PDB
PDBbind
99aa, >6CDL_1|Chains... at 91%
6dif
RCSB PDB
PDBbind
99aa, >6DIF_1|Chains... at 91%
6dil
RCSB PDB
PDBbind
99aa, >6DIL_1|Chains... at 90%
6dj1
RCSB PDB
PDBbind
99aa, >6DJ1_1|Chains... at 91%
6dj2
RCSB PDB
PDBbind
99aa, >6DJ2_1|Chains... at 90%
6dj5
RCSB PDB
PDBbind
99aa, >6DJ5_1|Chains... at 90%
6dj7
RCSB PDB
PDBbind
99aa, >6DJ7_1|Chains... at 90%
6e7j
RCSB PDB
PDBbind
99aa, >6E7J_1|Chains... at 91%
6e9a
RCSB PDB
PDBbind
99aa, >6E9A_1|Chains... at 91%
7hvp
RCSB PDB
PDBbind
99aa, >7HVP_1|Chains... at 93%
8hvp
RCSB PDB
PDBbind
99aa, >8HVP_1|Chains... at 93%
6o48
RCSB PDB
PDBbind
99aa, >6O48_1|Chains... at 91%
6u7o
RCSB PDB
PDBbind
99aa, >6U7O_1|Chains... at 91%
6u7p
RCSB PDB
PDBbind
99aa, >6U7P_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6ixd
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 protease
Ligand Name
B0F
EC.Number
E.C.-.-.-.-
Resolution
1(Å)
Affinity (Kd/Ki/IC50)
Ki=0.16nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Bioconjug.Chem. Vol. 30: pp. 1979-1985
Ligand Properties
Formula
C
4
5
H
5
6
N
6
O
8
S
2
Molecular Weight
873.092
Exact Mass
872.360
No. of atoms
117
No. of bonds
123
Polar Surface Area
249.03
LOGP Value
4.05 (
Computed with XLOGP3
)
5.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 7
Canonical SMILES
O=C(N[C@H]([C@@H](C(=O)N1CSC([C@H]1C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)(C)C)O)Cc1ccccc1)COc1c(C)cc(cc1C)NC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
InChI String
InChI=1S/C45H56N6O8S2/c1-25-18-29(46-35(53)17-11-10-16-34-38-32(23-60-34)48-44(58)50-38)19-26(2)40(25)59-22-36(54)47-31(20-27-12-6-5-7-13-27)39(55)43(57)51-24-61-45(3,4)41(51)42(56)49-37-30-15-9-8-14-28(30)21-33(37)52/h5-9,12-15,18-19,31-34,37-39,41,52,55H,10-11,16-17,20-24H2,1-4H3,(H,46,53)(H,47,54)(H,49,56)(H2,48,50,58)/t31-,32-,33+,34-,37-,38-,39-,41+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q5RZ08
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com