Browse entries in the PDBbind-CN Database
HEADER 4XY8_COMPLEX COMPND 4XY8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 SER THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG SEQRES 2 A 113 GLN LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE SEQRES 3 A 113 PRO VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE SEQRES 4 A 113 ILE LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS SEQRES 5 A 113 ILE VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS SEQRES 6 A 113 ALA ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR SEQRES 7 A 113 ASN ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS SEQRES 8 A 113 ILE LEU HIS ALA GLY PHE LYS MET MET SER LYS GLU ARG SEQRES 9 A 113 LEU LEU ALA LEU LYS ARG SER MET SER HET UNN A 305 29 ATOM 1 N SER A 22 35.779 21.097 7.435 1.00 36.38 N ATOM 2 CA SER A 22 35.185 19.979 6.627 1.00 25.03 C ATOM 3 C SER A 22 36.000 18.691 6.804 1.00 26.24 C ATOM 4 O SER A 22 37.199 18.717 7.068 1.00 27.64 O ATOM 5 CB SER A 22 35.116 20.320 5.144 1.00 27.23 C ATOM 6 OG SER A 22 36.392 20.353 4.543 1.00 45.30 O ATOM 7 HG SER A 22 36.822 19.466 4.635 1.00 0.00 H ATOM 8 HN3 SER A 22 36.755 21.270 7.120 1.00 0.00 H ATOM 9 HN2 SER A 22 35.779 20.834 8.441 1.00 0.00 H ATOM 10 HN1 SER A 22 35.213 21.959 7.301 1.00 0.00 H ATOM 11 N THR A 23 35.334 17.565 6.642 1.00 18.70 N ATOM 12 CA THR A 23 35.975 16.273 6.785 1.00 12.99 C ATOM 13 C THR A 23 36.605 15.863 5.442 1.00 15.42 C ATOM 14 O THR A 23 36.297 16.436 4.406 1.00 14.85 O ATOM 15 CB THR A 23 34.932 15.229 7.141 1.00 16.09 C ATOM 16 OG1 THR A 23 33.949 15.199 6.116 1.00 14.14 O ATOM 17 CG2 THR A 23 34.271 15.553 8.494 1.00 19.30 C ATOM 18 HG1 THR A 23 33.263 14.521 6.338 1.00 0.00 H ATOM 19 H THR A 23 34.322 17.605 6.405 1.00 0.00 H ATOM 20 N PRO A 24 37.493 14.873 5.442 1.00 11.42 N ATOM 21 CA PRO A 24 38.034 14.407 4.173 1.00 13.81 C ATOM 22 C PRO A 24 36.966 13.996 3.145 1.00 12.56 C ATOM 23 O PRO A 24 37.156 14.284 1.978 1.00 11.41 O ATOM 24 CB PRO A 24 38.881 13.183 4.574 1.00 14.37 C ATOM 25 CG PRO A 24 39.302 13.469 5.941 1.00 13.78 C ATOM 26 CD PRO A 24 38.129 14.156 6.570 1.00 15.29 C ATOM 27 N ILE A 25 35.905 13.286 3.549 1.00 10.75 N ATOM 28 CA ILE A 25 34.854 12.922 2.574 1.00 11.14 C ATOM 29 C ILE A 25 34.174 14.174 2.011 1.00 9.10 C ATOM 30 O ILE A 25 33.963 14.249 0.802 1.00 10.74 O ATOM 31 CB ILE A 25 33.826 11.905 3.085 1.00 12.43 C ATOM 32 CG1 ILE A 25 32.892 11.513 1.948 1.00 17.63 C ATOM 33 CG2 ILE A 25 32.970 12.442 4.201 1.00 13.86 C ATOM 34 CD1 ILE A 25 33.554 10.696 0.870 1.00 19.68 C ATOM 35 H ILE A 25 35.820 12.992 4.543 1.00 0.00 H ATOM 36 N GLN A 26 33.857 15.176 2.850 1.00 9.14 N ATOM 37 CA GLN A 26 33.308 16.440 2.326 1.00 8.88 C ATOM 38 C GLN A 26 34.281 17.079 1.314 1.00 9.11 C ATOM 39 O GLN A 26 33.846 17.530 0.241 1.00 10.58 O ATOM 40 CB GLN A 26 32.934 17.463 3.411 1.00 11.39 C ATOM 41 CG GLN A 26 31.737 17.111 4.242 1.00 15.38 C ATOM 42 CD GLN A 26 31.569 18.059 5.419 1.00 18.31 C ATOM 43 OE1 GLN A 26 32.425 18.085 6.313 1.00 16.76 O ATOM 44 NE2 GLN A 26 30.474 18.830 5.435 1.00 18.66 N ATOM 45 HE22 GLN A 26 29.784 18.770 4.659 1.00 0.00 H ATOM 46 HE21 GLN A 26 30.313 19.489 6.224 1.00 0.00 H ATOM 47 H GLN A 26 34.000 15.059 3.873 1.00 0.00 H ATOM 48 N GLN A 27 35.581 17.056 1.603 1.00 9.84 N ATOM 49 CA GLN A 27 36.535 17.689 0.709 1.00 9.11 C ATOM 50 C GLN A 27 36.658 16.949 -0.628 1.00 10.30 C ATOM 51 O GLN A 27 36.746 17.581 -1.704 1.00 9.38 O ATOM 52 CB GLN A 27 37.880 17.795 1.407 1.00 15.29 C ATOM 53 CG GLN A 27 37.822 18.699 2.630 1.00 16.83 C ATOM 54 CD GLN A 27 39.108 18.688 3.423 1.00 28.18 C ATOM 55 OE1 GLN A 27 40.192 18.696 2.850 1.00 31.40 O ATOM 56 NE2 GLN A 27 38.986 18.652 4.755 1.00 32.67 N ATOM 57 HE22 GLN A 27 38.042 18.647 5.191 1.00 0.00 H ATOM 58 HE21 GLN A 27 39.835 18.629 5.355 1.00 0.00 H ATOM 59 H GLN A 27 35.913 16.585 2.469 1.00 0.00 H ATOM 60 N LEU A 28 36.618 15.617 -0.578 1.00 9.52 N ATOM 61 CA LEU A 28 36.595 14.822 -1.803 1.00 8.52 C ATOM 62 C LEU A 28 35.370 15.103 -2.664 1.00 7.92 C ATOM 63 O LEU A 28 35.451 15.272 -3.871 1.00 8.61 O ATOM 64 CB LEU A 28 36.648 13.334 -1.495 1.00 7.78 C ATOM 65 CG LEU A 28 36.701 12.438 -2.738 1.00 9.90 C ATOM 66 CD1 LEU A 28 37.883 12.735 -3.649 1.00 12.59 C ATOM 67 CD2 LEU A 28 36.648 10.958 -2.350 1.00 12.19 C ATOM 68 H LEU A 28 36.603 15.138 0.345 1.00 0.00 H ATOM 69 N LEU A 29 34.214 15.150 -2.027 1.00 8.40 N ATOM 70 CA LEU A 29 32.982 15.464 -2.782 1.00 7.91 C ATOM 71 C LEU A 29 33.004 16.867 -3.330 1.00 8.85 C ATOM 72 O LEU A 29 32.557 17.092 -4.452 1.00 10.36 O ATOM 73 CB LEU A 29 31.775 15.253 -1.889 1.00 7.57 C ATOM 74 CG LEU A 29 31.606 13.819 -1.337 1.00 7.53 C ATOM 75 CD1 LEU A 29 30.303 13.695 -0.560 1.00 8.63 C ATOM 76 CD2 LEU A 29 31.704 12.761 -2.420 1.00 9.60 C ATOM 77 H LEU A 29 34.171 14.968 -1.004 1.00 0.00 H ATOM 78 N GLU A 30 33.494 17.837 -2.546 1.00 9.60 N ATOM 79 CA GLU A 30 33.674 19.208 -3.088 1.00 10.94 C ATOM 80 C GLU A 30 34.589 19.229 -4.296 1.00 8.53 C ATOM 81 O GLU A 30 34.305 19.932 -5.299 1.00 10.29 O ATOM 82 CB GLU A 30 34.189 20.170 -2.000 1.00 12.33 C ATOM 83 CG GLU A 30 33.136 20.464 -0.980 1.00 18.40 C ATOM 84 CD GLU A 30 33.571 21.430 0.106 1.00 41.67 C ATOM 85 OE1 GLU A 30 34.747 21.370 0.565 1.00 43.79 O ATOM 86 OE2 GLU A 30 32.686 22.222 0.516 1.00 46.74 O ATOM 87 H GLU A 30 33.748 17.630 -1.559 1.00 0.00 H ATOM 88 N HIS A 31 35.660 18.414 -4.250 1.00 10.87 N ATOM 89 CA HIS A 31 36.553 18.226 -5.378 1.00 9.61 C ATOM 90 C HIS A 31 35.857 17.709 -6.623 1.00 10.93 C ATOM 91 O HIS A 31 35.937 18.322 -7.710 1.00 8.64 O ATOM 92 CB HIS A 31 37.726 17.322 -5.007 1.00 9.76 C ATOM 93 CG HIS A 31 38.526 16.898 -6.181 1.00 13.41 C ATOM 94 ND1 HIS A 31 39.398 17.745 -6.816 1.00 15.26 N ATOM 95 CD2 HIS A 31 38.505 15.756 -6.902 1.00 16.69 C ATOM 96 CE1 HIS A 31 39.928 17.119 -7.848 1.00 15.28 C ATOM 97 NE2 HIS A 31 39.395 15.917 -7.929 1.00 19.38 N ATOM 98 H HIS A 31 35.855 17.898 -3.369 1.00 0.00 H ATOM 99 N PHE A 32 35.096 16.634 -6.473 1.00 8.91 N ATOM 100 CA PHE A 32 34.350 16.081 -7.570 1.00 6.47 C ATOM 101 C PHE A 32 33.342 17.109 -8.146 1.00 7.84 C ATOM 102 O PHE A 32 33.270 17.339 -9.360 1.00 8.78 O ATOM 103 CB PHE A 32 33.593 14.806 -7.143 1.00 6.62 C ATOM 104 CG PHE A 32 34.457 13.603 -6.851 1.00 7.22 C ATOM 105 CD1 PHE A 32 35.637 13.369 -7.546 1.00 11.99 C ATOM 106 CD2 PHE A 32 34.005 12.620 -5.977 1.00 6.81 C ATOM 107 CE1 PHE A 32 36.399 12.258 -7.311 1.00 13.94 C ATOM 108 CE2 PHE A 32 34.788 11.508 -5.755 1.00 9.06 C ATOM 109 CZ PHE A 32 35.959 11.320 -6.420 1.00 10.36 C ATOM 110 H PHE A 32 35.037 16.180 -5.539 1.00 0.00 H ATOM 111 N LEU A 33 32.640 17.784 -7.261 1.00 8.39 N ATOM 112 CA LEU A 33 31.654 18.775 -7.650 1.00 7.18 C ATOM 113 C LEU A 33 32.285 19.916 -8.401 1.00 10.22 C ATOM 114 O LEU A 33 31.766 20.320 -9.436 1.00 10.68 O ATOM 115 CB LEU A 33 30.883 19.275 -6.449 1.00 8.27 C ATOM 116 CG LEU A 33 29.710 20.177 -6.726 1.00 12.37 C ATOM 117 CD1 LEU A 33 28.677 19.541 -7.607 1.00 12.58 C ATOM 118 CD2 LEU A 33 29.074 20.563 -5.395 1.00 14.63 C ATOM 119 H LEU A 33 32.797 17.601 -6.249 1.00 0.00 H ATOM 120 N ARG A 34 33.419 20.427 -7.919 1.00 8.70 N ATOM 121 CA ARG A 34 34.124 21.457 -8.664 1.00 11.45 C ATOM 122 C ARG A 34 34.535 21.004 -10.037 1.00 11.42 C ATOM 123 O ARG A 34 34.362 21.738 -11.014 1.00 10.21 O ATOM 124 CB ARG A 34 35.359 21.954 -7.903 1.00 13.24 C ATOM 125 CG ARG A 34 35.071 22.910 -6.773 1.00 23.99 C ATOM 126 CD ARG A 34 36.407 23.525 -6.292 1.00 30.19 C ATOM 127 NE ARG A 34 37.357 22.487 -5.867 1.00 29.38 N ATOM 128 CZ ARG A 34 37.438 22.010 -4.622 1.00 19.34 C ATOM 129 NH1 ARG A 34 36.639 22.464 -3.673 1.00 29.16 N ATOM 130 NH2 ARG A 34 38.314 21.073 -4.331 1.00 25.60 N ATOM 131 HE ARG A 34 38.007 22.100 -6.581 1.00 0.00 H ATOM 132 HH12 ARG A 34 36.711 22.085 -2.707 1.00 0.00 H ATOM 133 HH11 ARG A 34 35.938 23.200 -3.892 1.00 0.00 H ATOM 134 HH22 ARG A 34 38.376 20.702 -3.361 1.00 0.00 H ATOM 135 HH21 ARG A 34 38.944 20.703 -5.071 1.00 0.00 H ATOM 136 H ARG A 34 33.798 20.089 -7.011 1.00 0.00 H ATOM 137 N GLN A 35 35.036 19.790 -10.147 1.00 11.22 N ATOM 138 CA GLN A 35 35.460 19.287 -11.464 1.00 11.78 C ATOM 139 C GLN A 35 34.276 19.101 -12.389 1.00 12.28 C ATOM 140 O GLN A 35 34.379 19.394 -13.579 1.00 13.57 O ATOM 141 CB GLN A 35 36.281 18.019 -11.303 1.00 11.57 C ATOM 142 CG GLN A 35 37.525 18.257 -10.457 1.00 13.93 C ATOM 143 CD GLN A 35 38.477 19.288 -11.088 1.00 21.34 C ATOM 144 OE1 GLN A 35 38.738 20.360 -10.530 1.00 36.03 O ATOM 145 NE2 GLN A 35 38.942 18.979 -12.257 1.00 31.02 N ATOM 146 HE22 GLN A 35 38.697 18.066 -12.689 1.00 0.00 H ATOM 147 HE21 GLN A 35 39.561 19.644 -12.763 1.00 0.00 H ATOM 148 H GLN A 35 35.132 19.188 -9.304 1.00 0.00 H ATOM 149 N LEU A 36 33.139 18.671 -11.857 1.00 7.84 N ATOM 150 CA LEU A 36 31.970 18.500 -12.703 1.00 10.74 C ATOM 151 C LEU A 36 31.387 19.828 -13.154 1.00 9.73 C ATOM 152 O LEU A 36 30.965 19.955 -14.303 1.00 10.00 O ATOM 153 CB LEU A 36 30.877 17.700 -12.024 1.00 12.99 C ATOM 154 CG LEU A 36 31.270 16.255 -11.760 1.00 16.98 C ATOM 155 CD1 LEU A 36 30.304 15.670 -10.739 1.00 16.12 C ATOM 156 CD2 LEU A 36 31.372 15.473 -13.072 1.00 21.28 C ATOM 157 H LEU A 36 33.085 18.458 -10.841 1.00 0.00 H ATOM 158 N GLN A 37 31.351 20.796 -12.255 1.00 8.56 N ATOM 159 CA GLN A 37 30.824 22.100 -12.604 1.00 9.74 C ATOM 160 C GLN A 37 31.647 22.819 -13.638 1.00 10.64 C ATOM 161 O GLN A 37 31.098 23.664 -14.388 1.00 11.82 O ATOM 162 CB GLN A 37 30.720 22.977 -11.376 1.00 11.80 C ATOM 163 CG GLN A 37 29.513 22.599 -10.569 1.00 18.33 C ATOM 164 CD GLN A 37 28.885 23.770 -9.845 1.00 24.52 C ATOM 165 OE1 GLN A 37 28.072 24.578 -10.396 1.00 28.52 O ATOM 166 NE2 GLN A 37 29.178 23.816 -8.579 1.00 18.63 N ATOM 167 HE22 GLN A 37 29.850 23.132 -8.176 1.00 0.00 H ATOM 168 HE21 GLN A 37 28.741 24.537 -7.970 1.00 0.00 H ATOM 169 H GLN A 37 31.703 20.621 -11.292 1.00 0.00 H ATOM 170 N ARG A 38 32.930 22.502 -13.723 1.00 11.95 N ATOM 171 CA ARG A 38 33.779 23.072 -14.779 1.00 13.50 C ATOM 172 C ARG A 38 33.314 22.675 -16.163 1.00 14.25 C ATOM 173 O ARG A 38 33.567 23.405 -17.145 1.00 17.68 O ATOM 174 CB ARG A 38 35.269 22.735 -14.537 1.00 15.87 C ATOM 175 CG ARG A 38 35.731 23.394 -13.233 1.00 27.11 C ATOM 176 CD ARG A 38 37.216 23.672 -13.022 1.00 39.75 C ATOM 177 NE ARG A 38 38.111 22.783 -13.753 1.00 49.91 N ATOM 178 CZ ARG A 38 39.436 22.772 -13.598 1.00 90.82 C ATOM 179 NH1 ARG A 38 40.182 21.929 -14.308 1.00 64.61 N ATOM 180 NH2 ARG A 38 40.025 23.596 -12.733 1.00105.61 N ATOM 181 HE ARG A 38 37.692 22.119 -14.435 1.00 0.00 H ATOM 182 HH12 ARG A 38 41.215 21.920 -14.187 1.00 0.00 H ATOM 183 HH11 ARG A 38 39.732 21.279 -14.984 1.00 0.00 H ATOM 184 HH22 ARG A 38 41.059 23.579 -12.620 1.00 0.00 H ATOM 185 HH21 ARG A 38 39.451 24.256 -12.171 1.00 0.00 H ATOM 186 H ARG A 38 33.342 21.841 -13.034 1.00 0.00 H ATOM 187 N LYS A 39 32.589 21.573 -16.247 1.00 9.61 N ATOM 188 CA LYS A 39 32.009 21.075 -17.500 1.00 11.64 C ATOM 189 C LYS A 39 30.675 21.781 -17.864 1.00 11.54 C ATOM 190 O LYS A 39 30.092 21.481 -18.918 1.00 13.84 O ATOM 191 CB LYS A 39 31.727 19.570 -17.447 1.00 15.21 C ATOM 192 CG LYS A 39 32.893 18.684 -17.013 1.00 28.98 C ATOM 193 CD LYS A 39 33.874 18.564 -18.144 1.00 31.76 C ATOM 194 CE LYS A 39 34.990 17.583 -17.823 1.00 48.85 C ATOM 195 NZ LYS A 39 35.408 16.870 -19.059 1.00 63.06 N ATOM 196 HZ1 LYS A 39 34.596 16.351 -19.450 1.00 0.00 H ATOM 197 HZ2 LYS A 39 35.748 17.561 -19.758 1.00 0.00 H ATOM 198 HZ3 LYS A 39 36.171 16.201 -18.831 1.00 0.00 H ATOM 199 H LYS A 39 32.420 21.029 -15.377 1.00 0.00 H ATOM 200 N ASP A 40 30.195 22.650 -16.973 1.00 11.29 N ATOM 201 CA ASP A 40 28.981 23.463 -17.150 1.00 8.02 C ATOM 202 C ASP A 40 29.304 24.902 -16.984 1.00 9.91 C ATOM 203 O ASP A 40 28.773 25.551 -16.085 1.00 9.29 O ATOM 204 CB ASP A 40 27.919 23.051 -16.106 1.00 9.02 C ATOM 205 CG ASP A 40 26.587 23.830 -16.224 1.00 8.78 C ATOM 206 OD1 ASP A 40 26.193 24.216 -17.371 1.00 9.16 O ATOM 207 OD2 ASP A 40 25.981 24.071 -15.119 1.00 8.44 O ATOM 208 H ASP A 40 30.720 22.762 -16.082 1.00 0.00 H ATOM 209 N PRO A 41 30.177 25.454 -17.859 1.00 9.98 N ATOM 210 CA PRO A 41 30.619 26.819 -17.668 1.00 11.16 C ATOM 211 C PRO A 41 29.496 27.872 -17.785 1.00 9.90 C ATOM 212 O PRO A 41 29.628 28.994 -17.266 1.00 13.12 O ATOM 213 CB PRO A 41 31.672 27.000 -18.796 1.00 14.85 C ATOM 214 CG PRO A 41 31.313 25.990 -19.834 1.00 15.46 C ATOM 215 CD PRO A 41 30.865 24.807 -18.983 1.00 11.80 C ATOM 216 N HIS A 42 28.407 27.521 -18.470 1.00 9.56 N ATOM 217 CA HIS A 42 27.287 28.429 -18.665 1.00 9.93 C ATOM 218 C HIS A 42 26.284 28.368 -17.541 1.00 9.06 C ATOM 219 O HIS A 42 25.340 29.190 -17.506 1.00 10.98 O ATOM 220 CB HIS A 42 26.622 28.159 -20.000 1.00 13.50 C ATOM 221 CG HIS A 42 27.557 28.380 -21.141 1.00 19.39 C ATOM 222 ND1 HIS A 42 27.714 27.486 -22.171 1.00 31.27 N ATOM 223 CD2 HIS A 42 28.472 29.352 -21.336 1.00 18.58 C ATOM 224 CE1 HIS A 42 28.654 27.925 -22.989 1.00 29.68 C ATOM 225 NE2 HIS A 42 29.125 29.059 -22.510 1.00 30.04 N ATOM 226 H HIS A 42 28.357 26.566 -18.879 1.00 0.00 H ATOM 227 N GLY A 43 26.437 27.402 -16.638 1.00 9.35 N ATOM 228 CA GLY A 43 25.646 27.378 -15.398 1.00 8.37 C ATOM 229 C GLY A 43 24.208 26.903 -15.565 1.00 6.52 C ATOM 230 O GLY A 43 23.322 27.261 -14.777 1.00 9.05 O ATOM 231 H GLY A 43 27.131 26.648 -16.813 1.00 0.00 H ATOM 232 N PHE A 44 23.955 26.085 -16.577 1.00 5.70 N ATOM 233 CA PHE A 44 22.605 25.502 -16.796 1.00 5.41 C ATOM 234 C PHE A 44 22.228 24.511 -15.689 1.00 6.40 C ATOM 235 O PHE A 44 21.062 24.268 -15.456 1.00 6.74 O ATOM 236 CB PHE A 44 22.499 24.851 -18.193 1.00 6.28 C ATOM 237 CG PHE A 44 22.576 25.831 -19.313 1.00 6.90 C ATOM 238 CD1 PHE A 44 21.670 26.870 -19.408 1.00 7.73 C ATOM 239 CD2 PHE A 44 23.574 25.691 -20.303 1.00 11.82 C ATOM 240 CE1 PHE A 44 21.741 27.797 -20.445 1.00 10.44 C ATOM 241 CE2 PHE A 44 23.634 26.619 -21.341 1.00 15.95 C ATOM 242 CZ PHE A 44 22.724 27.668 -21.400 1.00 15.00 C ATOM 243 H PHE A 44 24.722 25.844 -17.236 1.00 0.00 H ATOM 244 N PHE A 45 23.216 23.931 -15.010 1.00 6.21 N ATOM 245 CA PHE A 45 23.002 22.945 -13.940 1.00 6.72 C ATOM 246 C PHE A 45 23.312 23.495 -12.567 1.00 8.06 C ATOM 247 O PHE A 45 23.374 22.742 -11.585 1.00 7.48 O ATOM 248 CB PHE A 45 23.815 21.647 -14.258 1.00 6.38 C ATOM 249 CG PHE A 45 23.258 20.875 -15.433 1.00 6.72 C ATOM 250 CD1 PHE A 45 22.349 19.844 -15.224 1.00 10.40 C ATOM 251 CD2 PHE A 45 23.615 21.184 -16.733 1.00 8.16 C ATOM 252 CE1 PHE A 45 21.798 19.179 -16.301 1.00 8.07 C ATOM 253 CE2 PHE A 45 23.047 20.524 -17.832 1.00 8.91 C ATOM 254 CZ PHE A 45 22.143 19.523 -17.604 1.00 10.07 C ATOM 255 H PHE A 45 24.194 24.190 -15.250 1.00 0.00 H ATOM 256 N ALA A 46 23.463 24.815 -12.467 1.00 6.68 N ATOM 257 CA ALA A 46 23.901 25.462 -11.244 1.00 7.70 C ATOM 258 C ALA A 46 22.833 25.682 -10.188 1.00 7.09 C ATOM 259 O ALA A 46 23.157 25.902 -9.009 1.00 10.35 O ATOM 260 CB ALA A 46 24.523 26.812 -11.582 1.00 9.78 C ATOM 261 H ALA A 46 23.259 25.405 -13.299 1.00 0.00 H ATOM 262 N PHE A 47 21.578 25.714 -10.607 1.00 6.37 N ATOM 263 CA PHE A 47 20.435 25.986 -9.729 1.00 7.94 C ATOM 264 C PHE A 47 19.215 25.232 -10.271 1.00 9.55 C ATOM 265 O PHE A 47 19.260 24.766 -11.441 1.00 7.20 O ATOM 266 CB PHE A 47 20.176 27.480 -9.668 1.00 8.27 C ATOM 267 CG PHE A 47 19.814 28.122 -10.966 1.00 8.42 C ATOM 268 CD1 PHE A 47 20.806 28.461 -11.879 1.00 12.10 C ATOM 269 CD2 PHE A 47 18.489 28.420 -11.262 1.00 14.48 C ATOM 270 CE1 PHE A 47 20.464 29.077 -13.084 1.00 18.60 C ATOM 271 CE2 PHE A 47 18.157 29.037 -12.468 1.00 12.11 C ATOM 272 CZ PHE A 47 19.163 29.377 -13.354 1.00 11.26 C ATOM 273 H PHE A 47 21.392 25.536 -11.615 1.00 0.00 H ATOM 274 N PRO A 48 18.147 25.111 -9.452 1.00 8.99 N ATOM 275 CA PRO A 48 16.971 24.324 -9.901 1.00 7.68 C ATOM 276 C PRO A 48 16.295 24.894 -11.122 1.00 7.91 C ATOM 277 O PRO A 48 16.101 26.125 -11.237 1.00 8.36 O ATOM 278 CB PRO A 48 16.036 24.325 -8.682 1.00 8.31 C ATOM 279 CG PRO A 48 16.949 24.650 -7.525 1.00 10.64 C ATOM 280 CD PRO A 48 17.969 25.582 -8.065 1.00 9.79 C ATOM 281 N VAL A 49 15.919 23.997 -12.030 1.00 6.71 N ATOM 282 CA VAL A 49 15.144 24.360 -13.236 1.00 6.45 C ATOM 283 C VAL A 49 13.730 24.748 -12.819 1.00 10.12 C ATOM 284 O VAL A 49 13.052 23.960 -12.130 1.00 16.54 O ATOM 285 CB VAL A 49 15.016 23.160 -14.174 1.00 8.75 C ATOM 286 CG1 VAL A 49 14.259 23.547 -15.429 1.00 11.93 C ATOM 287 CG2 VAL A 49 16.383 22.608 -14.535 1.00 7.27 C ATOM 288 H VAL A 49 16.181 23.001 -11.886 1.00 0.00 H ATOM 289 N THR A 50 13.296 25.944 -13.166 1.00 7.29 N ATOM 290 CA THR A 50 11.931 26.377 -12.852 1.00 7.70 C ATOM 291 C THR A 50 10.991 26.124 -13.995 1.00 7.61 C ATOM 292 O THR A 50 11.415 25.930 -15.113 1.00 8.53 O ATOM 293 CB THR A 50 11.915 27.884 -12.567 1.00 10.16 C ATOM 294 OG1 THR A 50 12.255 28.615 -13.749 1.00 10.09 O ATOM 295 CG2 THR A 50 12.914 28.235 -11.437 1.00 13.36 C ATOM 296 HG1 THR A 50 12.241 29.585 -13.551 1.00 0.00 H ATOM 297 H THR A 50 13.934 26.592 -13.672 1.00 0.00 H ATOM 298 N ASP A 51 9.694 26.124 -13.706 1.00 9.00 N ATOM 299 CA ASP A 51 8.717 26.013 -14.784 1.00 8.94 C ATOM 300 C ASP A 51 8.668 27.204 -15.709 1.00 8.13 C ATOM 301 O ASP A 51 8.282 27.101 -16.867 1.00 11.11 O ATOM 302 CB ASP A 51 7.326 25.726 -14.229 1.00 10.57 C ATOM 303 CG ASP A 51 7.172 24.318 -13.661 1.00 17.70 C ATOM 304 OD1 ASP A 51 8.128 23.509 -13.665 1.00 12.05 O ATOM 305 OD2 ASP A 51 6.046 24.009 -13.159 1.00 14.08 O ATOM 306 H ASP A 51 9.378 26.203 -12.718 1.00 0.00 H ATOM 307 N ALA A 52 9.085 28.366 -15.194 1.00 9.37 N ATOM 308 CA ALA A 52 9.214 29.559 -16.055 1.00 11.52 C ATOM 309 C ALA A 52 10.280 29.338 -17.111 1.00 11.38 C ATOM 310 O ALA A 52 10.090 29.708 -18.279 1.00 12.35 O ATOM 311 CB ALA A 52 9.518 30.771 -15.227 1.00 13.51 C ATOM 312 H ALA A 52 9.319 28.430 -14.183 1.00 0.00 H ATOM 313 N ILE A 53 11.374 28.736 -16.689 1.00 8.83 N ATOM 314 CA ILE A 53 12.500 28.431 -17.608 1.00 8.93 C ATOM 315 C ILE A 53 12.166 27.274 -18.555 1.00 7.87 C ATOM 316 O ILE A 53 12.490 27.329 -19.759 1.00 10.16 O ATOM 317 CB ILE A 53 13.763 28.117 -16.787 1.00 12.18 C ATOM 318 CG1 ILE A 53 14.278 29.407 -16.142 1.00 18.87 C ATOM 319 CG2 ILE A 53 14.838 27.463 -17.647 1.00 12.59 C ATOM 320 CD1 ILE A 53 15.270 29.167 -15.009 1.00 16.57 C ATOM 321 H ILE A 53 11.451 28.468 -15.687 1.00 0.00 H ATOM 322 N ALA A 54 11.514 26.233 -18.037 1.00 5.99 N ATOM 323 CA ALA A 54 11.255 24.970 -18.705 1.00 6.83 C ATOM 324 C ALA A 54 9.771 24.581 -18.494 1.00 7.75 C ATOM 325 O ALA A 54 9.440 23.941 -17.502 1.00 6.97 O ATOM 326 CB ALA A 54 12.157 23.888 -18.141 1.00 7.40 C ATOM 327 H ALA A 54 11.158 26.335 -17.065 1.00 0.00 H ATOM 328 N PRO A 55 8.902 24.992 -19.428 1.00 7.54 N ATOM 329 CA PRO A 55 7.471 24.788 -19.263 1.00 9.34 C ATOM 330 C PRO A 55 7.121 23.358 -18.957 1.00 7.86 C ATOM 331 O PRO A 55 7.623 22.418 -19.594 1.00 9.44 O ATOM 332 CB PRO A 55 6.892 25.233 -20.623 1.00 10.71 C ATOM 333 CG PRO A 55 7.803 26.363 -20.975 1.00 14.75 C ATOM 334 CD PRO A 55 9.167 25.938 -20.530 1.00 11.09 C ATOM 335 N GLY A 56 6.267 23.198 -17.958 1.00 8.47 N ATOM 336 CA GLY A 56 5.813 21.850 -17.580 1.00 9.49 C ATOM 337 C GLY A 56 6.811 20.977 -16.840 1.00 8.24 C ATOM 338 O GLY A 56 6.486 19.858 -16.512 1.00 10.01 O ATOM 339 H GLY A 56 5.916 24.028 -17.439 1.00 0.00 H ATOM 340 N TYR A 57 8.006 21.495 -16.533 1.00 6.60 N ATOM 341 CA TYR A 57 9.054 20.657 -15.916 1.00 5.92 C ATOM 342 C TYR A 57 8.573 19.910 -14.642 1.00 7.38 C ATOM 343 O TYR A 57 8.814 18.724 -14.503 1.00 7.96 O ATOM 344 CB TYR A 57 10.265 21.547 -15.593 1.00 6.32 C ATOM 345 CG TYR A 57 11.553 20.799 -15.253 1.00 6.95 C ATOM 346 CD1 TYR A 57 12.414 20.418 -16.273 1.00 7.56 C ATOM 347 CD2 TYR A 57 11.897 20.516 -13.918 1.00 7.03 C ATOM 348 CE1 TYR A 57 13.582 19.714 -16.010 1.00 6.10 C ATOM 349 CE2 TYR A 57 13.069 19.826 -13.605 1.00 7.33 C ATOM 350 CZ TYR A 57 13.909 19.417 -14.674 1.00 7.63 C ATOM 351 OH TYR A 57 15.070 18.736 -14.354 1.00 7.65 O ATOM 352 HH TYR A 57 15.559 18.511 -15.185 1.00 0.00 H ATOM 353 H TYR A 57 8.199 22.498 -16.731 1.00 0.00 H ATOM 354 N SER A 58 7.871 20.613 -13.751 1.00 7.49 N ATOM 355 CA SER A 58 7.426 20.033 -12.491 1.00 9.87 C ATOM 356 C SER A 58 6.370 18.963 -12.689 1.00 9.98 C ATOM 357 O SER A 58 6.167 18.180 -11.795 1.00 11.45 O ATOM 358 CB SER A 58 6.893 21.111 -11.541 1.00 10.86 C ATOM 359 OG SER A 58 5.738 21.722 -12.076 1.00 10.54 O ATOM 360 HG SER A 58 5.960 22.142 -12.944 1.00 0.00 H ATOM 361 H SER A 58 7.635 21.604 -13.962 1.00 0.00 H ATOM 362 N MET A 59 5.704 18.940 -13.839 1.00 7.73 N ATOM 363 CA MET A 59 4.760 17.874 -14.175 1.00 11.61 C ATOM 364 C MET A 59 5.405 16.612 -14.701 1.00 10.63 C ATOM 365 O MET A 59 4.786 15.553 -14.626 1.00 12.26 O ATOM 366 CB MET A 59 3.742 18.415 -15.167 1.00 14.98 C ATOM 367 CG MET A 59 3.037 19.592 -14.524 1.00 21.52 C ATOM 368 SD MET A 59 1.549 20.116 -15.380 1.00 39.77 S ATOM 369 CE MET A 59 2.318 20.213 -16.925 1.00 12.23 C ATOM 370 H MET A 59 5.859 19.707 -14.524 1.00 0.00 H ATOM 371 N ILE A 60 6.679 16.708 -15.103 1.00 9.32 N ATOM 372 CA ILE A 60 7.411 15.610 -15.739 1.00 9.32 C ATOM 373 C ILE A 60 8.467 15.016 -14.796 1.00 8.06 C ATOM 374 O ILE A 60 8.646 13.774 -14.745 1.00 10.80 O ATOM 375 CB ILE A 60 8.084 16.093 -17.034 1.00 9.51 C ATOM 376 CG1 ILE A 60 7.048 16.684 -18.006 1.00 10.75 C ATOM 377 CG2 ILE A 60 8.918 14.988 -17.663 1.00 11.99 C ATOM 378 CD1 ILE A 60 5.918 15.756 -18.381 1.00 12.50 C ATOM 379 H ILE A 60 7.175 17.610 -14.956 1.00 0.00 H ATOM 380 N ILE A 61 9.149 15.872 -14.042 1.00 8.00 N ATOM 381 CA ILE A 61 10.265 15.494 -13.228 1.00 9.08 C ATOM 382 C ILE A 61 9.891 15.519 -11.746 1.00 9.62 C ATOM 383 O ILE A 61 9.580 16.584 -11.203 1.00 11.10 O ATOM 384 CB ILE A 61 11.444 16.445 -13.475 1.00 9.55 C ATOM 385 CG1 ILE A 61 11.899 16.389 -14.946 1.00 8.74 C ATOM 386 CG2 ILE A 61 12.578 16.123 -12.542 1.00 10.19 C ATOM 387 CD1 ILE A 61 12.318 15.031 -15.406 1.00 8.73 C ATOM 388 H ILE A 61 8.856 16.870 -14.043 1.00 0.00 H ATOM 389 N LYS A 62 9.917 14.331 -11.128 1.00 8.84 N ATOM 390 CA LYS A 62 9.419 14.126 -9.777 1.00 12.84 C ATOM 391 C LYS A 62 10.413 14.589 -8.708 1.00 12.16 C ATOM 392 O LYS A 62 10.022 15.116 -7.660 1.00 12.01 O ATOM 393 CB LYS A 62 9.149 12.633 -9.592 1.00 16.83 C ATOM 394 CG LYS A 62 8.342 12.316 -8.338 1.00 28.04 C ATOM 395 CD LYS A 62 8.176 10.807 -8.181 1.00 43.11 C ATOM 396 CE LYS A 62 7.159 10.476 -7.093 1.00 70.84 C ATOM 397 NZ LYS A 62 7.212 9.048 -6.671 1.00 59.72 N ATOM 398 HZ1 LYS A 62 7.013 8.438 -7.490 1.00 0.00 H ATOM 399 HZ2 LYS A 62 8.159 8.833 -6.299 1.00 0.00 H ATOM 400 HZ3 LYS A 62 6.501 8.880 -5.931 1.00 0.00 H ATOM 401 H LYS A 62 10.312 13.516 -11.639 1.00 0.00 H ATOM 402 N HIS A 63 11.690 14.372 -8.996 1.00 9.94 N ATOM 403 CA HIS A 63 12.783 14.539 -8.032 1.00 8.78 C ATOM 404 C HIS A 63 13.889 15.400 -8.640 1.00 7.76 C ATOM 405 O HIS A 63 14.906 14.860 -9.101 1.00 8.23 O ATOM 406 CB HIS A 63 13.366 13.216 -7.586 1.00 12.67 C ATOM 407 CG HIS A 63 12.371 12.328 -6.892 1.00 14.18 C ATOM 408 ND1 HIS A 63 11.651 12.738 -5.799 1.00 19.35 N ATOM 409 CD2 HIS A 63 11.985 11.061 -7.148 1.00 20.45 C ATOM 410 CE1 HIS A 63 10.862 11.753 -5.402 1.00 25.78 C ATOM 411 NE2 HIS A 63 11.049 10.725 -6.202 1.00 21.21 N ATOM 412 H HIS A 63 11.930 14.066 -9.961 1.00 0.00 H ATOM 413 N PRO A 64 13.696 16.728 -8.598 1.00 8.62 N ATOM 414 CA PRO A 64 14.691 17.657 -9.176 1.00 8.04 C ATOM 415 C PRO A 64 16.026 17.605 -8.434 1.00 8.36 C ATOM 416 O PRO A 64 16.067 17.293 -7.246 1.00 10.65 O ATOM 417 CB PRO A 64 14.041 19.020 -9.030 1.00 11.96 C ATOM 418 CG PRO A 64 12.877 18.853 -8.145 1.00 20.08 C ATOM 419 CD PRO A 64 12.476 17.418 -8.149 1.00 10.45 C ATOM 420 N MET A 65 17.110 17.884 -9.150 1.00 8.56 N ATOM 421 CA MET A 65 18.420 18.007 -8.541 1.00 8.93 C ATOM 422 C MET A 65 19.265 18.942 -9.393 1.00 7.18 C ATOM 423 O MET A 65 19.020 19.079 -10.599 1.00 7.74 O ATOM 424 CB MET A 65 19.067 16.630 -8.426 1.00 7.63 C ATOM 425 CG MET A 65 20.334 16.495 -7.636 1.00 7.84 C ATOM 426 SD MET A 65 20.382 17.306 -6.045 1.00 10.29 S ATOM 427 CE MET A 65 19.054 16.495 -5.183 1.00 12.68 C ATOM 428 H MET A 65 17.016 18.018 -10.177 1.00 0.00 H ATOM 429 N ASP A 66 20.234 19.597 -8.744 1.00 6.17 N ATOM 430 CA ASP A 66 21.151 20.502 -9.429 1.00 6.12 C ATOM 431 C ASP A 66 22.440 20.600 -8.611 1.00 5.35 C ATOM 432 O ASP A 66 22.463 20.175 -7.447 1.00 8.19 O ATOM 433 CB ASP A 66 20.511 21.886 -9.549 1.00 8.72 C ATOM 434 CG ASP A 66 20.286 22.515 -8.208 1.00 8.10 C ATOM 435 OD1 ASP A 66 19.254 22.164 -7.580 1.00 10.52 O ATOM 436 OD2 ASP A 66 21.141 23.351 -7.762 1.00 9.52 O ATOM 437 H ASP A 66 20.337 19.457 -7.719 1.00 0.00 H ATOM 438 N PHE A 67 23.473 21.187 -9.199 1.00 6.54 N ATOM 439 CA PHE A 67 24.779 21.242 -8.556 1.00 5.34 C ATOM 440 C PHE A 67 24.735 22.121 -7.278 1.00 8.29 C ATOM 441 O PHE A 67 25.487 21.904 -6.317 1.00 7.84 O ATOM 442 CB PHE A 67 25.838 21.856 -9.483 1.00 6.14 C ATOM 443 CG PHE A 67 26.378 20.969 -10.568 1.00 6.51 C ATOM 444 CD1 PHE A 67 26.791 19.702 -10.318 1.00 10.92 C ATOM 445 CD2 PHE A 67 26.553 21.495 -11.843 1.00 7.47 C ATOM 446 CE1 PHE A 67 27.379 18.921 -11.311 1.00 12.05 C ATOM 447 CE2 PHE A 67 27.168 20.746 -12.824 1.00 8.93 C ATOM 448 CZ PHE A 67 27.565 19.451 -12.556 1.00 10.31 C ATOM 449 H PHE A 67 23.349 21.617 -10.138 1.00 0.00 H ATOM 450 N GLY A 68 23.933 23.186 -7.278 1.00 7.03 N ATOM 451 CA GLY A 68 23.860 23.994 -6.068 1.00 8.62 C ATOM 452 C GLY A 68 23.279 23.251 -4.878 1.00 9.59 C ATOM 453 O GLY A 68 23.759 23.405 -3.742 1.00 11.65 O ATOM 454 H GLY A 68 23.374 23.433 -8.120 1.00 0.00 H ATOM 455 N THR A 69 22.190 22.532 -5.114 1.00 10.09 N ATOM 456 CA THR A 69 21.592 21.674 -4.104 1.00 9.16 C ATOM 457 C THR A 69 22.596 20.656 -3.612 1.00 8.76 C ATOM 458 O THR A 69 22.701 20.416 -2.407 1.00 10.06 O ATOM 459 CB THR A 69 20.327 21.015 -4.624 1.00 12.02 C ATOM 460 OG1 THR A 69 19.387 22.072 -4.923 1.00 11.77 O ATOM 461 CG2 THR A 69 19.736 20.046 -3.584 1.00 14.36 C ATOM 462 HG1 THR A 69 19.199 22.587 -4.099 1.00 0.00 H ATOM 463 H THR A 69 21.748 22.584 -6.054 1.00 0.00 H ATOM 464 N MET A 70 23.346 20.049 -4.541 1.00 7.62 N ATOM 465 CA MET A 70 24.377 19.128 -4.110 1.00 6.32 C ATOM 466 C MET A 70 25.408 19.776 -3.216 1.00 6.79 C ATOM 467 O MET A 70 25.803 19.176 -2.186 1.00 8.89 O ATOM 468 CB MET A 70 25.077 18.420 -5.302 1.00 7.63 C ATOM 469 CG MET A 70 24.115 17.565 -6.058 1.00 9.15 C ATOM 470 SD MET A 70 24.756 16.880 -7.605 1.00 14.33 S ATOM 471 CE MET A 70 26.033 15.832 -6.989 1.00 20.89 C ATOM 472 H MET A 70 23.191 20.236 -5.552 1.00 0.00 H ATOM 473 N LYS A 71 25.887 20.963 -3.589 1.00 7.28 N ATOM 474 CA LYS A 71 26.840 21.711 -2.762 1.00 10.29 C ATOM 475 C LYS A 71 26.260 21.916 -1.365 1.00 10.49 C ATOM 476 O LYS A 71 26.954 21.695 -0.384 1.00 12.56 O ATOM 477 CB LYS A 71 27.220 23.062 -3.399 1.00 12.99 C ATOM 478 CG LYS A 71 28.115 23.910 -2.509 1.00 22.28 C ATOM 479 CD LYS A 71 29.467 23.284 -2.253 1.00 25.31 C ATOM 480 CE LYS A 71 30.404 24.299 -1.586 1.00 43.07 C ATOM 481 NZ LYS A 71 31.820 24.054 -1.962 1.00 82.21 N ATOM 482 HZ1 LYS A 71 32.097 23.098 -1.660 1.00 0.00 H ATOM 483 HZ2 LYS A 71 31.923 24.136 -2.994 1.00 0.00 H ATOM 484 HZ3 LYS A 71 32.428 24.757 -1.495 1.00 0.00 H ATOM 485 H LYS A 71 25.576 21.371 -4.494 1.00 0.00 H ATOM 486 N ASP A 72 25.001 22.352 -1.283 1.00 11.88 N ATOM 487 CA ASP A 72 24.352 22.519 0.017 1.00 12.68 C ATOM 488 C ASP A 72 24.282 21.222 0.830 1.00 14.43 C ATOM 489 O ASP A 72 24.485 21.228 2.071 1.00 14.79 O ATOM 490 CB ASP A 72 22.940 23.066 -0.137 1.00 11.33 C ATOM 491 CG ASP A 72 22.897 24.484 -0.701 1.00 20.95 C ATOM 492 OD1 ASP A 72 23.905 25.224 -0.667 1.00 23.23 O ATOM 493 OD2 ASP A 72 21.789 24.849 -1.165 1.00 24.64 O ATOM 494 H ASP A 72 24.476 22.575 -2.153 1.00 0.00 H ATOM 495 N LYS A 73 24.004 20.109 0.163 1.00 11.91 N ATOM 496 CA LYS A 73 23.963 18.816 0.835 1.00 12.79 C ATOM 497 C LYS A 73 25.357 18.446 1.329 1.00 13.19 C ATOM 498 O LYS A 73 25.482 17.836 2.409 1.00 17.78 O ATOM 499 CB LYS A 73 23.363 17.721 -0.036 1.00 12.44 C ATOM 500 CG LYS A 73 21.905 17.911 -0.310 1.00 12.74 C ATOM 501 CD LYS A 73 21.311 16.848 -1.214 1.00 18.26 C ATOM 502 CE LYS A 73 21.216 15.503 -0.515 1.00 21.14 C ATOM 503 NZ LYS A 73 20.352 14.559 -1.279 1.00 19.90 N ATOM 504 HZ1 LYS A 73 19.395 14.958 -1.364 1.00 0.00 H ATOM 505 HZ2 LYS A 73 20.754 14.413 -2.227 1.00 0.00 H ATOM 506 HZ3 LYS A 73 20.306 13.649 -0.777 1.00 0.00 H ATOM 507 H LYS A 73 23.812 20.160 -0.858 1.00 0.00 H ATOM 508 N ILE A 74 26.419 18.789 0.598 1.00 13.24 N ATOM 509 CA ILE A 74 27.781 18.426 1.107 1.00 14.26 C ATOM 510 C ILE A 74 28.033 19.236 2.391 1.00 19.03 C ATOM 511 O ILE A 74 28.459 18.697 3.420 1.00 18.95 O ATOM 512 CB ILE A 74 28.912 18.757 0.128 1.00 13.30 C ATOM 513 CG1 ILE A 74 28.789 17.910 -1.132 1.00 11.50 C ATOM 514 CG2 ILE A 74 30.272 18.486 0.781 1.00 13.38 C ATOM 515 CD1 ILE A 74 29.705 18.380 -2.247 1.00 13.05 C ATOM 516 H ILE A 74 26.305 19.296 -0.303 1.00 0.00 H ATOM 517 N VAL A 75 27.767 20.522 2.306 1.00 18.17 N ATOM 518 CA VAL A 75 27.977 21.478 3.444 1.00 27.67 C ATOM 519 C VAL A 75 27.133 21.063 4.621 1.00 25.10 C ATOM 520 O VAL A 75 27.585 21.136 5.772 1.00 31.97 O ATOM 521 CB VAL A 75 27.632 22.928 3.053 1.00 24.27 C ATOM 522 CG1 VAL A 75 27.608 23.884 4.265 1.00 31.01 C ATOM 523 CG2 VAL A 75 28.637 23.440 2.041 1.00 22.14 C ATOM 524 H VAL A 75 27.394 20.893 1.409 1.00 0.00 H ATOM 525 N ALA A 76 25.918 20.598 4.357 1.00 22.75 N ATOM 526 CA ALA A 76 25.032 20.143 5.439 1.00 25.22 C ATOM 527 C ALA A 76 25.376 18.722 5.923 1.00 33.43 C ATOM 528 O ALA A 76 24.616 18.115 6.702 1.00 35.18 O ATOM 529 CB ALA A 76 23.570 20.233 5.016 1.00 23.75 C ATOM 530 H ALA A 76 25.588 20.555 3.372 1.00 0.00 H ATOM 531 N ASN A 77 26.510 18.204 5.448 1.00 28.30 N ATOM 532 CA ASN A 77 26.993 16.847 5.761 1.00 30.47 C ATOM 533 C ASN A 77 25.938 15.760 5.542 1.00 34.84 C ATOM 534 O ASN A 77 25.788 14.867 6.370 1.00 32.39 O ATOM 535 CB ASN A 77 27.570 16.796 7.198 1.00 27.48 C ATOM 536 CG ASN A 77 28.733 15.831 7.332 1.00 29.80 C ATOM 537 OD1 ASN A 77 29.425 15.505 6.355 1.00 28.78 O ATOM 538 ND2 ASN A 77 28.960 15.359 8.559 1.00 41.83 N ATOM 539 HD22 ASN A 77 28.356 15.658 9.351 1.00 0.00 H ATOM 540 HD21 ASN A 77 29.741 14.692 8.723 1.00 0.00 H ATOM 541 H ASN A 77 27.089 18.794 4.818 1.00 0.00 H ATOM 542 N GLU A 78 25.228 15.839 4.412 1.00 20.72 N ATOM 543 CA GLU A 78 24.140 14.938 4.072 1.00 18.76 C ATOM 544 C GLU A 78 24.539 13.716 3.225 1.00 20.66 C ATOM 545 O GLU A 78 23.724 12.821 3.008 1.00 21.62 O ATOM 546 CB GLU A 78 22.997 15.705 3.369 1.00 25.36 C ATOM 547 CG GLU A 78 22.192 16.574 4.324 1.00 30.99 C ATOM 548 CD GLU A 78 21.008 17.290 3.664 1.00 35.10 C ATOM 549 OE1 GLU A 78 20.278 16.674 2.858 1.00 43.96 O ATOM 550 OE2 GLU A 78 20.792 18.471 3.982 1.00 45.66 O ATOM 551 H GLU A 78 25.469 16.591 3.735 1.00 0.00 H ATOM 552 N TYR A 79 25.760 13.693 2.703 1.00 16.66 N ATOM 553 CA TYR A 79 26.264 12.534 1.994 1.00 11.91 C ATOM 554 C TYR A 79 27.254 11.728 2.839 1.00 14.96 C ATOM 555 O TYR A 79 28.271 12.244 3.272 1.00 18.21 O ATOM 556 CB TYR A 79 27.061 12.950 0.754 1.00 12.39 C ATOM 557 CG TYR A 79 26.212 13.666 -0.292 1.00 10.70 C ATOM 558 CD1 TYR A 79 25.149 13.041 -0.891 1.00 13.07 C ATOM 559 CD2 TYR A 79 26.512 14.978 -0.673 1.00 12.47 C ATOM 560 CE1 TYR A 79 24.368 13.693 -1.843 1.00 11.28 C ATOM 561 CE2 TYR A 79 25.768 15.625 -1.620 1.00 10.34 C ATOM 562 CZ TYR A 79 24.715 14.978 -2.228 1.00 9.78 C ATOM 563 OH TYR A 79 23.971 15.652 -3.170 1.00 10.63 O ATOM 564 HH TYR A 79 23.257 15.058 -3.512 1.00 0.00 H ATOM 565 H TYR A 79 26.370 14.529 2.806 1.00 0.00 H ATOM 566 N LYS A 80 26.949 10.472 3.032 1.00 13.40 N ATOM 567 CA LYS A 80 27.807 9.586 3.819 1.00 13.89 C ATOM 568 C LYS A 80 28.931 8.960 3.000 1.00 16.80 C ATOM 569 O LYS A 80 29.932 8.478 3.546 1.00 14.16 O ATOM 570 CB LYS A 80 26.953 8.419 4.366 1.00 19.04 C ATOM 571 CG LYS A 80 25.846 8.830 5.315 1.00 25.98 C ATOM 572 CD LYS A 80 25.398 7.612 6.122 1.00 37.10 C ATOM 573 CE LYS A 80 24.553 6.639 5.300 1.00 32.61 C ATOM 574 NZ LYS A 80 23.197 7.167 5.034 1.00 34.67 N ATOM 575 HZ1 LYS A 80 22.709 7.338 5.937 1.00 0.00 H ATOM 576 HZ2 LYS A 80 23.271 8.059 4.505 1.00 0.00 H ATOM 577 HZ3 LYS A 80 22.660 6.474 4.474 1.00 0.00 H ATOM 578 H LYS A 80 26.075 10.093 2.616 1.00 0.00 H ATOM 579 N SER A 81 28.769 8.974 1.688 1.00 12.45 N ATOM 580 CA SER A 81 29.642 8.205 0.801 1.00 10.25 C ATOM 581 C SER A 81 29.651 8.834 -0.602 1.00 9.03 C ATOM 582 O SER A 81 28.768 9.622 -0.974 1.00 10.03 O ATOM 583 CB SER A 81 29.165 6.777 0.666 1.00 12.21 C ATOM 584 OG SER A 81 27.894 6.668 0.004 1.00 12.92 O ATOM 585 HG SER A 81 27.635 5.714 -0.055 1.00 0.00 H ATOM 586 H SER A 81 28.003 9.545 1.277 1.00 0.00 H ATOM 587 N VAL A 82 30.646 8.404 -1.388 1.00 8.52 N ATOM 588 CA VAL A 82 30.702 8.758 -2.784 1.00 9.25 C ATOM 589 C VAL A 82 29.486 8.177 -3.508 1.00 10.44 C ATOM 590 O VAL A 82 28.917 8.793 -4.423 1.00 9.53 O ATOM 591 CB VAL A 82 32.037 8.314 -3.432 1.00 11.45 C ATOM 592 CG1 VAL A 82 31.983 8.458 -4.933 1.00 11.43 C ATOM 593 CG2 VAL A 82 33.200 9.126 -2.847 1.00 9.63 C ATOM 594 H VAL A 82 31.392 7.803 -0.984 1.00 0.00 H ATOM 595 N THR A 83 29.074 6.972 -3.111 1.00 9.26 N ATOM 596 CA THR A 83 27.890 6.325 -3.698 1.00 9.97 C ATOM 597 C THR A 83 26.674 7.219 -3.591 1.00 7.51 C ATOM 598 O THR A 83 25.946 7.399 -4.588 1.00 9.63 O ATOM 599 CB THR A 83 27.634 4.962 -3.047 1.00 14.51 C ATOM 600 OG1 THR A 83 28.658 4.052 -3.500 1.00 16.11 O ATOM 601 CG2 THR A 83 26.273 4.404 -3.400 1.00 17.81 C ATOM 602 HG1 THR A 83 28.512 3.162 -3.091 1.00 0.00 H ATOM 603 H THR A 83 29.604 6.476 -2.366 1.00 0.00 H ATOM 604 N GLU A 84 26.433 7.802 -2.421 1.00 11.35 N ATOM 605 CA GLU A 84 25.256 8.699 -2.240 1.00 10.38 C ATOM 606 C GLU A 84 25.365 9.978 -3.096 1.00 10.15 C ATOM 607 O GLU A 84 24.398 10.443 -3.690 1.00 8.83 O ATOM 608 CB GLU A 84 25.065 9.122 -0.770 1.00 11.51 C ATOM 609 CG GLU A 84 24.615 7.962 0.094 1.00 14.35 C ATOM 610 CD GLU A 84 24.387 8.322 1.536 1.00 19.26 C ATOM 611 OE1 GLU A 84 24.631 9.466 1.976 1.00 18.82 O ATOM 612 OE2 GLU A 84 23.933 7.426 2.242 1.00 30.07 O ATOM 613 H GLU A 84 27.074 7.630 -1.621 1.00 0.00 H ATOM 614 N PHE A 85 26.558 10.556 -3.129 1.00 6.76 N ATOM 615 CA PHE A 85 26.787 11.728 -4.010 1.00 6.41 C ATOM 616 C PHE A 85 26.547 11.416 -5.480 1.00 7.96 C ATOM 617 O PHE A 85 25.865 12.180 -6.216 1.00 6.59 O ATOM 618 CB PHE A 85 28.201 12.244 -3.753 1.00 7.01 C ATOM 619 CG PHE A 85 28.625 13.379 -4.630 1.00 6.41 C ATOM 620 CD1 PHE A 85 28.382 14.692 -4.284 1.00 10.18 C ATOM 621 CD2 PHE A 85 29.399 13.124 -5.749 1.00 9.20 C ATOM 622 CE1 PHE A 85 28.796 15.729 -5.099 1.00 8.39 C ATOM 623 CE2 PHE A 85 29.841 14.162 -6.564 1.00 9.77 C ATOM 624 CZ PHE A 85 29.551 15.460 -6.223 1.00 8.78 C ATOM 625 H PHE A 85 27.331 10.189 -2.539 1.00 0.00 H ATOM 626 N LYS A 86 27.125 10.310 -5.930 1.00 7.82 N ATOM 627 CA LYS A 86 27.042 9.913 -7.318 1.00 7.45 C ATOM 628 C LYS A 86 25.591 9.646 -7.702 1.00 8.56 C ATOM 629 O LYS A 86 25.145 9.959 -8.811 1.00 8.11 O ATOM 630 CB LYS A 86 27.876 8.651 -7.542 1.00 8.09 C ATOM 631 CG LYS A 86 28.029 8.272 -8.999 1.00 9.78 C ATOM 632 CD LYS A 86 28.974 7.084 -9.122 1.00 12.01 C ATOM 633 CE LYS A 86 29.187 6.749 -10.584 1.00 12.77 C ATOM 634 NZ LYS A 86 29.906 5.449 -10.725 1.00 19.01 N ATOM 635 HZ1 LYS A 86 30.831 5.513 -10.255 1.00 0.00 H ATOM 636 HZ2 LYS A 86 29.344 4.694 -10.284 1.00 0.00 H ATOM 637 HZ3 LYS A 86 30.042 5.237 -11.734 1.00 0.00 H ATOM 638 H LYS A 86 27.654 9.711 -5.265 1.00 0.00 H ATOM 639 N ALA A 87 24.802 9.136 -6.776 1.00 6.86 N ATOM 640 CA ALA A 87 23.367 8.950 -7.074 1.00 9.65 C ATOM 641 C ALA A 87 22.636 10.304 -7.361 1.00 10.08 C ATOM 642 O ALA A 87 21.790 10.355 -8.248 1.00 9.24 O ATOM 643 CB ALA A 87 22.662 8.203 -5.935 1.00 12.85 C ATOM 644 H ALA A 87 25.186 8.868 -5.847 1.00 0.00 H ATOM 645 N ASP A 88 22.943 11.359 -6.626 1.00 7.53 N ATOM 646 CA ASP A 88 22.363 12.669 -6.904 1.00 8.38 C ATOM 647 C ASP A 88 22.835 13.219 -8.225 1.00 7.44 C ATOM 648 O ASP A 88 22.080 13.850 -8.939 1.00 6.46 O ATOM 649 CB ASP A 88 22.613 13.697 -5.807 1.00 10.56 C ATOM 650 CG ASP A 88 21.521 13.700 -4.689 1.00 13.99 C ATOM 651 OD1 ASP A 88 20.456 13.022 -4.838 1.00 15.53 O ATOM 652 OD2 ASP A 88 21.727 14.434 -3.686 1.00 10.50 O ATOM 653 H ASP A 88 23.610 11.254 -5.835 1.00 0.00 H ATOM 654 N PHE A 89 24.106 13.013 -8.520 1.00 7.42 N ATOM 655 CA PHE A 89 24.661 13.476 -9.776 1.00 7.18 C ATOM 656 C PHE A 89 23.972 12.775 -10.963 1.00 8.03 C ATOM 657 O PHE A 89 23.592 13.405 -11.973 1.00 5.49 O ATOM 658 CB PHE A 89 26.142 13.160 -9.758 1.00 7.65 C ATOM 659 CG PHE A 89 26.789 13.201 -11.115 1.00 8.96 C ATOM 660 CD1 PHE A 89 27.031 14.458 -11.661 1.00 16.00 C ATOM 661 CD2 PHE A 89 27.167 12.072 -11.769 1.00 23.25 C ATOM 662 CE1 PHE A 89 27.649 14.584 -12.879 1.00 22.10 C ATOM 663 CE2 PHE A 89 27.770 12.184 -13.017 1.00 16.50 C ATOM 664 CZ PHE A 89 28.007 13.445 -13.542 1.00 14.96 C ATOM 665 H PHE A 89 24.716 12.512 -7.843 1.00 0.00 H ATOM 666 N LYS A 90 23.806 11.468 -10.829 1.00 7.05 N ATOM 667 CA LYS A 90 23.121 10.670 -11.842 1.00 6.12 C ATOM 668 C LYS A 90 21.684 11.140 -12.034 1.00 6.43 C ATOM 669 O LYS A 90 21.224 11.296 -13.171 1.00 7.79 O ATOM 670 CB LYS A 90 23.165 9.172 -11.496 1.00 7.51 C ATOM 671 CG LYS A 90 22.568 8.276 -12.552 1.00 9.87 C ATOM 672 CD LYS A 90 22.526 6.815 -12.081 1.00 13.46 C ATOM 673 CE LYS A 90 21.886 5.946 -13.128 1.00 29.49 C ATOM 674 NZ LYS A 90 21.761 4.533 -12.677 1.00 23.85 N ATOM 675 HZ1 LYS A 90 22.706 4.152 -12.470 1.00 0.00 H ATOM 676 HZ2 LYS A 90 21.175 4.495 -11.819 1.00 0.00 H ATOM 677 HZ3 LYS A 90 21.315 3.969 -13.428 1.00 0.00 H ATOM 678 H LYS A 90 24.174 10.997 -9.978 1.00 0.00 H ATOM 679 N LEU A 91 21.006 11.434 -10.938 1.00 6.26 N ATOM 680 CA LEU A 91 19.607 11.900 -10.981 1.00 6.39 C ATOM 681 C LEU A 91 19.513 13.231 -11.759 1.00 7.01 C ATOM 682 O LEU A 91 18.607 13.442 -12.581 1.00 6.36 O ATOM 683 CB LEU A 91 19.096 12.043 -9.545 1.00 9.51 C ATOM 684 CG LEU A 91 17.773 12.751 -9.342 1.00 7.43 C ATOM 685 CD1 LEU A 91 16.651 12.013 -10.040 1.00 7.83 C ATOM 686 CD2 LEU A 91 17.481 13.002 -7.861 1.00 8.62 C ATOM 687 H LEU A 91 21.474 11.333 -10.015 1.00 0.00 H ATOM 688 N MET A 92 20.438 14.138 -11.459 1.00 5.02 N ATOM 689 CA MET A 92 20.470 15.431 -12.170 1.00 5.08 C ATOM 690 C MET A 92 20.584 15.222 -13.684 1.00 5.68 C ATOM 691 O MET A 92 19.865 15.881 -14.473 1.00 4.98 O ATOM 692 CB MET A 92 21.638 16.263 -11.631 1.00 9.49 C ATOM 693 CG MET A 92 21.757 17.619 -12.229 1.00 13.46 C ATOM 694 SD MET A 92 23.314 18.457 -11.750 1.00 13.63 S ATOM 695 CE MET A 92 24.577 17.493 -12.624 1.00 18.19 C ATOM 696 H MET A 92 21.142 13.935 -10.720 1.00 0.00 H ATOM 697 N CYS A 93 21.542 14.395 -14.113 1.00 6.55 N ATOM 698 CA CYS A 93 21.737 14.172 -15.552 1.00 6.39 C ATOM 699 C CYS A 93 20.533 13.427 -16.145 1.00 5.76 C ATOM 700 O CYS A 93 20.064 13.778 -17.224 1.00 7.20 O ATOM 701 CB CYS A 93 23.015 13.365 -15.764 1.00 7.21 C ATOM 702 SG CYS A 93 24.508 14.238 -15.225 1.00 8.80 S ATOM 703 H CYS A 93 22.152 13.908 -13.426 1.00 0.00 H ATOM 704 N ASP A 94 20.025 12.412 -15.440 1.00 6.55 N ATOM 705 CA ASP A 94 18.857 11.622 -15.890 1.00 7.57 C ATOM 706 C ASP A 94 17.622 12.547 -16.089 1.00 6.44 C ATOM 707 O ASP A 94 16.887 12.420 -17.082 1.00 7.85 O ATOM 708 CB ASP A 94 18.488 10.540 -14.870 1.00 8.17 C ATOM 709 CG ASP A 94 19.304 9.297 -14.949 1.00 20.32 C ATOM 710 OD1 ASP A 94 20.026 9.111 -15.952 1.00 23.47 O ATOM 711 OD2 ASP A 94 19.179 8.463 -13.983 1.00 16.70 O ATOM 712 H ASP A 94 20.471 12.166 -14.533 1.00 0.00 H ATOM 713 N ASN A 95 17.396 13.483 -15.153 1.00 5.21 N ATOM 714 CA ASN A 95 16.296 14.410 -15.285 1.00 5.51 C ATOM 715 C ASN A 95 16.389 15.221 -16.563 1.00 5.29 C ATOM 716 O ASN A 95 15.400 15.420 -17.261 1.00 5.38 O ATOM 717 CB ASN A 95 16.220 15.365 -14.129 1.00 5.05 C ATOM 718 CG ASN A 95 15.735 14.716 -12.801 1.00 5.07 C ATOM 719 OD1 ASN A 95 15.147 13.604 -12.763 1.00 7.98 O ATOM 720 ND2 ASN A 95 16.006 15.413 -11.679 1.00 6.84 N ATOM 721 HD22 ASN A 95 16.493 16.330 -11.741 1.00 0.00 H ATOM 722 HD21 ASN A 95 15.728 15.034 -10.751 1.00 0.00 H ATOM 723 H ASN A 95 18.020 13.541 -14.323 1.00 0.00 H ATOM 724 N ALA A 96 17.570 15.759 -16.799 1.00 4.91 N ATOM 725 CA ALA A 96 17.817 16.548 -18.018 1.00 4.48 C ATOM 726 C ALA A 96 17.592 15.727 -19.309 1.00 5.29 C ATOM 727 O ALA A 96 17.091 16.257 -20.305 1.00 7.25 O ATOM 728 CB ALA A 96 19.209 17.161 -18.014 1.00 5.22 C ATOM 729 H ALA A 96 18.340 15.624 -16.113 1.00 0.00 H ATOM 730 N MET A 97 17.979 14.451 -19.272 1.00 5.71 N ATOM 731 CA MET A 97 17.899 13.546 -20.414 1.00 6.82 C ATOM 732 C MET A 97 16.496 12.956 -20.551 1.00 8.98 C ATOM 733 O MET A 97 16.200 12.272 -21.551 1.00 10.86 O ATOM 734 CB MET A 97 18.979 12.498 -20.339 1.00 8.65 C ATOM 735 CG MET A 97 20.378 13.068 -20.517 1.00 8.79 C ATOM 736 SD MET A 97 21.695 11.854 -20.138 1.00 12.58 S ATOM 737 CE MET A 97 21.627 10.791 -21.546 1.00 13.51 C ATOM 738 H MET A 97 18.360 14.080 -18.378 1.00 0.00 H ATOM 739 N THR A 98 15.633 13.213 -19.572 1.00 7.21 N ATOM 740 CA THR A 98 14.215 12.799 -19.589 1.00 8.36 C ATOM 741 C THR A 98 13.306 13.924 -20.130 1.00 10.94 C ATOM 742 O THR A 98 12.477 13.716 -21.032 1.00 11.03 O ATOM 743 CB THR A 98 13.775 12.344 -18.185 1.00 8.84 C ATOM 744 OG1 THR A 98 14.517 11.153 -17.861 1.00 10.81 O ATOM 745 CG2 THR A 98 12.280 12.034 -18.123 1.00 11.83 C ATOM 746 HG1 THR A 98 15.486 11.356 -17.871 1.00 0.00 H ATOM 747 H THR A 98 15.978 13.738 -18.743 1.00 0.00 H ATOM 748 N TYR A 99 13.458 15.107 -19.569 1.00 7.16 N ATOM 749 CA TYR A 99 12.662 16.245 -19.968 1.00 6.75 C ATOM 750 C TYR A 99 13.010 16.724 -21.386 1.00 6.95 C ATOM 751 O TYR A 99 12.123 17.191 -22.121 1.00 8.83 O ATOM 752 CB TYR A 99 12.808 17.387 -18.937 1.00 6.89 C ATOM 753 CG TYR A 99 12.069 18.647 -19.331 1.00 6.61 C ATOM 754 CD1 TYR A 99 10.692 18.785 -19.110 1.00 5.71 C ATOM 755 CD2 TYR A 99 12.726 19.711 -19.982 1.00 6.30 C ATOM 756 CE1 TYR A 99 10.030 19.945 -19.461 1.00 7.17 C ATOM 757 CE2 TYR A 99 12.060 20.825 -20.363 1.00 6.86 C ATOM 758 CZ TYR A 99 10.715 20.968 -20.083 1.00 5.71 C ATOM 759 OH TYR A 99 10.085 22.137 -20.496 1.00 7.24 O ATOM 760 HH TYR A 99 9.131 22.107 -20.233 1.00 0.00 H ATOM 761 H TYR A 99 14.169 15.224 -18.820 1.00 0.00 H ATOM 762 N ASN A 100 14.304 16.742 -21.704 1.00 6.03 N ATOM 763 CA ASN A 100 14.781 17.317 -22.957 1.00 5.98 C ATOM 764 C ASN A 100 15.032 16.225 -23.994 1.00 8.10 C ATOM 765 O ASN A 100 15.601 15.153 -23.666 1.00 8.70 O ATOM 766 CB ASN A 100 16.089 18.083 -22.750 1.00 5.90 C ATOM 767 CG ASN A 100 15.925 19.274 -21.843 1.00 4.51 C ATOM 768 OD1 ASN A 100 15.331 20.304 -22.210 1.00 6.08 O ATOM 769 ND2 ASN A 100 16.429 19.148 -20.632 1.00 3.90 N ATOM 770 HD22 ASN A 100 16.919 18.272 -20.361 1.00 0.00 H ATOM 771 HD21 ASN A 100 16.337 19.925 -19.947 1.00 0.00 H ATOM 772 H ASN A 100 14.993 16.335 -21.040 1.00 0.00 H ATOM 773 N ARG A 101 14.724 16.541 -25.257 1.00 8.34 N ATOM 774 CA ARG A 101 14.995 15.598 -26.349 1.00 10.33 C ATOM 775 C ARG A 101 16.471 15.526 -26.710 1.00 11.00 C ATOM 776 O ARG A 101 17.263 16.433 -26.404 1.00 8.17 O ATOM 777 CB ARG A 101 14.183 15.974 -27.585 1.00 13.14 C ATOM 778 CG ARG A 101 12.681 16.129 -27.329 1.00 17.15 C ATOM 779 CD ARG A 101 11.783 15.403 -28.322 1.00 44.23 C ATOM 780 NE ARG A 101 11.092 14.233 -27.754 1.00 61.80 N ATOM 781 CZ ARG A 101 9.799 14.174 -27.401 1.00 60.36 C ATOM 782 NH1 ARG A 101 9.303 13.036 -26.921 1.00 42.26 N ATOM 783 NH2 ARG A 101 8.981 15.221 -27.525 1.00 73.05 N ATOM 784 HE ARG A 101 11.659 13.373 -27.613 1.00 0.00 H ATOM 785 HH12 ARG A 101 8.302 12.981 -26.645 1.00 0.00 H ATOM 786 HH11 ARG A 101 9.917 12.202 -26.822 1.00 0.00 H ATOM 787 HH22 ARG A 101 7.984 15.138 -27.241 1.00 0.00 H ATOM 788 HH21 ARG A 101 9.341 16.120 -27.906 1.00 0.00 H ATOM 789 H ARG A 101 14.289 17.462 -25.467 1.00 0.00 H ATOM 790 N PRO A 102 16.882 14.434 -27.387 1.00 11.59 N ATOM 791 CA PRO A 102 18.309 14.239 -27.638 1.00 12.30 C ATOM 792 C PRO A 102 19.001 15.312 -28.483 1.00 10.83 C ATOM 793 O PRO A 102 20.207 15.476 -28.388 1.00 15.16 O ATOM 794 CB PRO A 102 18.354 12.862 -28.352 1.00 13.12 C ATOM 795 CG PRO A 102 17.148 12.172 -27.889 1.00 15.75 C ATOM 796 CD PRO A 102 16.096 13.228 -27.733 1.00 17.58 C ATOM 797 N ASP A 103 18.257 16.058 -29.293 1.00 11.79 N ATOM 798 CA ASP A 103 18.888 17.081 -30.127 1.00 16.62 C ATOM 799 C ASP A 103 19.142 18.438 -29.426 1.00 15.63 C ATOM 800 O ASP A 103 19.640 19.379 -30.039 1.00 17.84 O ATOM 801 CB ASP A 103 18.067 17.291 -31.411 1.00 18.41 C ATOM 802 CG ASP A 103 16.740 17.954 -31.160 1.00 28.82 C ATOM 803 OD1 ASP A 103 16.201 17.870 -30.038 1.00 22.36 O ATOM 804 OD2 ASP A 103 16.221 18.587 -32.101 1.00 23.30 O ATOM 805 H ASP A 103 17.228 15.915 -29.334 1.00 0.00 H ATOM 806 N THR A 104 18.802 18.536 -28.149 1.00 9.85 N ATOM 807 CA THR A 104 18.883 19.759 -27.401 1.00 7.44 C ATOM 808 C THR A 104 20.234 20.014 -26.718 1.00 7.43 C ATOM 809 O THR A 104 20.995 19.070 -26.389 1.00 9.33 O ATOM 810 CB THR A 104 17.782 19.840 -26.341 1.00 7.03 C ATOM 811 OG1 THR A 104 18.033 18.857 -25.328 1.00 8.62 O ATOM 812 CG2 THR A 104 16.422 19.668 -26.916 1.00 8.12 C ATOM 813 HG1 THR A 104 18.036 17.956 -25.738 1.00 0.00 H ATOM 814 H THR A 104 18.459 17.683 -27.663 1.00 0.00 H ATOM 815 N VAL A 105 20.522 21.295 -26.507 1.00 8.42 N ATOM 816 CA VAL A 105 21.699 21.717 -25.708 1.00 8.50 C ATOM 817 C VAL A 105 21.752 20.969 -24.391 1.00 8.72 C ATOM 818 O VAL A 105 22.796 20.443 -24.013 1.00 7.88 O ATOM 819 CB VAL A 105 21.658 23.237 -25.418 1.00 11.19 C ATOM 820 CG1 VAL A 105 22.667 23.676 -24.356 1.00 17.05 C ATOM 821 CG2 VAL A 105 21.885 24.000 -26.729 1.00 12.00 C ATOM 822 H VAL A 105 19.903 22.024 -26.915 1.00 0.00 H ATOM 823 N TYR A 106 20.610 20.903 -23.712 1.00 8.87 N ATOM 824 CA TYR A 106 20.557 20.435 -22.337 1.00 6.71 C ATOM 825 C TYR A 106 20.773 18.951 -22.218 1.00 6.85 C ATOM 826 O TYR A 106 21.445 18.484 -21.326 1.00 6.82 O ATOM 827 CB TYR A 106 19.277 20.933 -21.629 1.00 7.00 C ATOM 828 CG TYR A 106 18.997 22.393 -21.956 1.00 7.49 C ATOM 829 CD1 TYR A 106 19.782 23.409 -21.449 1.00 9.08 C ATOM 830 CD2 TYR A 106 17.978 22.735 -22.821 1.00 9.29 C ATOM 831 CE1 TYR A 106 19.562 24.703 -21.806 1.00 8.31 C ATOM 832 CE2 TYR A 106 17.777 24.041 -23.221 1.00 10.72 C ATOM 833 CZ TYR A 106 18.600 25.018 -22.693 1.00 11.02 C ATOM 834 OH TYR A 106 18.493 26.344 -22.984 1.00 12.63 O ATOM 835 HH TYR A 106 17.596 26.668 -22.717 1.00 0.00 H ATOM 836 H TYR A 106 19.728 21.195 -24.179 1.00 0.00 H ATOM 837 N TYR A 107 20.237 18.195 -23.155 1.00 6.82 N ATOM 838 CA TYR A 107 20.428 16.747 -23.189 1.00 6.89 C ATOM 839 C TYR A 107 21.923 16.453 -23.446 1.00 7.12 C ATOM 840 O TYR A 107 22.540 15.621 -22.783 1.00 8.17 O ATOM 841 CB TYR A 107 19.577 16.164 -24.334 1.00 7.23 C ATOM 842 CG TYR A 107 19.706 14.662 -24.477 1.00 7.09 C ATOM 843 CD1 TYR A 107 20.871 14.105 -25.064 1.00 9.01 C ATOM 844 CD2 TYR A 107 18.683 13.790 -24.071 1.00 8.71 C ATOM 845 CE1 TYR A 107 21.013 12.740 -25.208 1.00 10.93 C ATOM 846 CE2 TYR A 107 18.849 12.395 -24.209 1.00 8.94 C ATOM 847 CZ TYR A 107 19.987 11.898 -24.790 1.00 10.38 C ATOM 848 OH TYR A 107 20.129 10.520 -24.973 1.00 17.09 O ATOM 849 HH TYR A 107 19.398 10.188 -25.552 1.00 0.00 H ATOM 850 H TYR A 107 19.659 18.644 -23.894 1.00 0.00 H ATOM 851 N LYS A 108 22.471 17.125 -24.439 1.00 8.09 N ATOM 852 CA LYS A 108 23.862 16.869 -24.845 1.00 7.87 C ATOM 853 C LYS A 108 24.818 17.240 -23.749 1.00 7.15 C ATOM 854 O LYS A 108 25.777 16.500 -23.516 1.00 8.34 O ATOM 855 CB LYS A 108 24.210 17.614 -26.130 1.00 11.49 C ATOM 856 CG LYS A 108 23.502 17.111 -27.363 1.00 13.27 C ATOM 857 CD LYS A 108 23.778 18.091 -28.510 1.00 19.07 C ATOM 858 CE LYS A 108 22.828 17.892 -29.681 1.00 35.07 C ATOM 859 NZ LYS A 108 23.361 16.902 -30.650 1.00 55.27 N ATOM 860 HZ1 LYS A 108 24.274 17.237 -31.019 1.00 0.00 H ATOM 861 HZ2 LYS A 108 23.493 15.988 -30.172 1.00 0.00 H ATOM 862 HZ3 LYS A 108 22.688 16.791 -31.435 1.00 0.00 H ATOM 863 H LYS A 108 21.913 17.845 -24.942 1.00 0.00 H ATOM 864 N LEU A 109 24.562 18.332 -23.058 1.00 6.10 N ATOM 865 CA LEU A 109 25.407 18.771 -21.939 1.00 7.06 C ATOM 866 C LEU A 109 25.273 17.797 -20.775 1.00 5.17 C ATOM 867 O LEU A 109 26.285 17.381 -20.175 1.00 6.95 O ATOM 868 CB LEU A 109 25.059 20.186 -21.529 1.00 8.03 C ATOM 869 CG LEU A 109 25.849 20.776 -20.388 1.00 10.38 C ATOM 870 CD1 LEU A 109 27.329 20.743 -20.764 1.00 12.47 C ATOM 871 CD2 LEU A 109 25.333 22.207 -20.148 1.00 10.66 C ATOM 872 H LEU A 109 23.732 18.904 -23.314 1.00 0.00 H ATOM 873 N ALA A 110 24.061 17.414 -20.480 1.00 5.26 N ATOM 874 CA ALA A 110 23.852 16.405 -19.407 1.00 4.74 C ATOM 875 C ALA A 110 24.633 15.121 -19.688 1.00 6.20 C ATOM 876 O ALA A 110 25.185 14.503 -18.759 1.00 5.79 O ATOM 877 CB ALA A 110 22.371 16.092 -19.254 1.00 5.49 C ATOM 878 H ALA A 110 23.247 17.811 -20.991 1.00 0.00 H ATOM 879 N LYS A 111 24.589 14.662 -20.925 1.00 5.79 N ATOM 880 CA LYS A 111 25.300 13.429 -21.305 1.00 7.68 C ATOM 881 C LYS A 111 26.818 13.573 -21.159 1.00 8.70 C ATOM 882 O LYS A 111 27.524 12.701 -20.612 1.00 7.51 O ATOM 883 CB LYS A 111 24.895 12.941 -22.677 1.00 9.78 C ATOM 884 CG LYS A 111 25.534 11.565 -22.952 1.00 15.79 C ATOM 885 CD LYS A 111 25.324 11.064 -24.357 1.00 23.53 C ATOM 886 CE LYS A 111 24.184 10.094 -24.468 1.00 29.41 C ATOM 887 NZ LYS A 111 24.247 9.424 -25.803 1.00 31.64 N ATOM 888 HZ1 LYS A 111 24.174 10.141 -26.553 1.00 0.00 H ATOM 889 HZ2 LYS A 111 25.151 8.917 -25.893 1.00 0.00 H ATOM 890 HZ3 LYS A 111 23.460 8.750 -25.889 1.00 0.00 H ATOM 891 H LYS A 111 24.043 15.180 -21.643 1.00 0.00 H ATOM 892 N LYS A 112 27.319 14.726 -21.577 1.00 7.54 N ATOM 893 CA LYS A 112 28.739 15.044 -21.429 1.00 8.95 C ATOM 894 C LYS A 112 29.181 15.017 -19.966 1.00 9.02 C ATOM 895 O LYS A 112 30.196 14.398 -19.644 1.00 10.26 O ATOM 896 CB LYS A 112 29.013 16.426 -22.025 1.00 14.29 C ATOM 897 CG LYS A 112 30.479 16.781 -22.081 1.00 19.35 C ATOM 898 CD LYS A 112 30.672 18.195 -22.630 1.00 22.55 C ATOM 899 CE LYS A 112 32.127 18.655 -22.542 1.00 38.40 C ATOM 900 NZ LYS A 112 33.030 17.895 -23.454 1.00 60.72 N ATOM 901 HZ1 LYS A 112 33.000 16.885 -23.207 1.00 0.00 H ATOM 902 HZ2 LYS A 112 32.715 18.022 -24.437 1.00 0.00 H ATOM 903 HZ3 LYS A 112 34.002 18.250 -23.352 1.00 0.00 H ATOM 904 H LYS A 112 26.687 15.422 -22.021 1.00 0.00 H ATOM 905 N ILE A 113 28.395 15.664 -19.082 1.00 5.90 N ATOM 906 CA ILE A 113 28.635 15.723 -17.659 1.00 7.31 C ATOM 907 C ILE A 113 28.520 14.303 -17.084 1.00 6.51 C ATOM 908 O ILE A 113 29.361 13.901 -16.339 1.00 9.19 O ATOM 909 CB ILE A 113 27.630 16.696 -16.991 1.00 12.64 C ATOM 910 CG1 ILE A 113 27.942 18.123 -17.446 1.00 12.20 C ATOM 911 CG2 ILE A 113 27.648 16.590 -15.492 1.00 13.32 C ATOM 912 CD1 ILE A 113 26.828 19.101 -17.150 1.00 17.13 C ATOM 913 H ILE A 113 27.556 16.156 -19.451 1.00 0.00 H ATOM 914 N LEU A 114 27.493 13.561 -17.479 1.00 5.94 N ATOM 915 CA LEU A 114 27.273 12.223 -16.964 1.00 6.17 C ATOM 916 C LEU A 114 28.490 11.352 -17.230 1.00 5.81 C ATOM 917 O LEU A 114 29.004 10.659 -16.345 1.00 6.49 O ATOM 918 CB LEU A 114 26.063 11.619 -17.652 1.00 7.47 C ATOM 919 CG LEU A 114 25.768 10.176 -17.180 1.00 10.61 C ATOM 920 CD1 LEU A 114 25.302 10.152 -15.750 1.00 13.04 C ATOM 921 CD2 LEU A 114 24.745 9.626 -18.153 1.00 17.48 C ATOM 922 H LEU A 114 26.827 13.950 -18.177 1.00 0.00 H ATOM 923 N HIS A 115 28.941 11.350 -18.485 1.00 6.71 N ATOM 924 CA HIS A 115 30.101 10.525 -18.835 1.00 5.92 C ATOM 925 C HIS A 115 31.359 10.959 -18.083 1.00 7.12 C ATOM 926 O HIS A 115 32.117 10.112 -17.552 1.00 6.63 O ATOM 927 CB HIS A 115 30.343 10.549 -20.321 1.00 5.77 C ATOM 928 CG HIS A 115 29.356 9.733 -21.093 1.00 7.14 C ATOM 929 ND1 HIS A 115 29.503 9.441 -22.434 1.00 11.68 N ATOM 930 CD2 HIS A 115 28.189 9.173 -20.714 1.00 8.46 C ATOM 931 CE1 HIS A 115 28.485 8.696 -22.836 1.00 12.32 C ATOM 932 NE2 HIS A 115 27.665 8.538 -21.814 1.00 10.17 N ATOM 933 H HIS A 115 28.473 11.930 -19.210 1.00 0.00 H ATOM 934 N ALA A 116 31.577 12.267 -18.010 1.00 9.13 N ATOM 935 CA ALA A 116 32.696 12.775 -17.184 1.00 8.75 C ATOM 936 C ALA A 116 32.654 12.299 -15.708 1.00 7.63 C ATOM 937 O ALA A 116 33.681 11.883 -15.154 1.00 10.49 O ATOM 938 CB ALA A 116 32.731 14.317 -17.267 1.00 12.36 C ATOM 939 H ALA A 116 30.966 12.930 -18.529 1.00 0.00 H ATOM 940 N GLY A 117 31.477 12.297 -15.099 1.00 6.73 N ATOM 941 CA GLY A 117 31.293 11.916 -13.715 1.00 6.52 C ATOM 942 C GLY A 117 31.462 10.434 -13.513 1.00 7.39 C ATOM 943 O GLY A 117 32.014 9.982 -12.498 1.00 9.54 O ATOM 944 H GLY A 117 30.640 12.585 -15.645 1.00 0.00 H ATOM 945 N PHE A 118 30.931 9.637 -14.445 1.00 6.36 N ATOM 946 CA PHE A 118 31.088 8.185 -14.351 1.00 8.39 C ATOM 947 C PHE A 118 32.525 7.753 -14.497 1.00 10.78 C ATOM 948 O PHE A 118 32.923 6.769 -13.869 1.00 12.02 O ATOM 949 CB PHE A 118 30.142 7.442 -15.334 1.00 9.61 C ATOM 950 CG PHE A 118 28.766 7.160 -14.719 1.00 9.54 C ATOM 951 CD1 PHE A 118 28.296 5.876 -14.587 1.00 13.07 C ATOM 952 CD2 PHE A 118 28.013 8.199 -14.204 1.00 15.10 C ATOM 953 CE1 PHE A 118 27.047 5.644 -14.004 1.00 15.26 C ATOM 954 CE2 PHE A 118 26.793 7.968 -13.576 1.00 20.64 C ATOM 955 CZ PHE A 118 26.301 6.686 -13.510 1.00 22.18 C ATOM 956 H PHE A 118 30.404 10.050 -15.241 1.00 0.00 H ATOM 957 N LYS A 119 33.308 8.492 -15.284 1.00 8.07 N ATOM 958 CA LYS A 119 34.735 8.218 -15.370 1.00 10.41 C ATOM 959 C LYS A 119 35.449 8.660 -14.074 1.00 12.53 C ATOM 960 O LYS A 119 36.254 7.900 -13.520 1.00 10.74 O ATOM 961 CB LYS A 119 35.318 8.924 -16.552 1.00 8.18 C ATOM 962 CG LYS A 119 36.810 8.665 -16.756 1.00 16.97 C ATOM 963 CD LYS A 119 37.265 9.216 -18.078 1.00 26.58 C ATOM 964 CE LYS A 119 38.778 9.142 -18.191 1.00 37.83 C ATOM 965 NZ LYS A 119 39.220 7.732 -18.140 1.00 26.86 N ATOM 966 HZ1 LYS A 119 38.922 7.309 -17.238 1.00 0.00 H ATOM 967 HZ2 LYS A 119 38.791 7.207 -18.929 1.00 0.00 H ATOM 968 HZ3 LYS A 119 40.256 7.692 -18.218 1.00 0.00 H ATOM 969 H LYS A 119 32.897 9.269 -15.840 1.00 0.00 H ATOM 970 N MET A 120 35.181 9.879 -13.641 1.00 10.39 N ATOM 971 CA MET A 120 35.803 10.455 -12.450 1.00 11.54 C ATOM 972 C MET A 120 35.544 9.626 -11.177 1.00 9.56 C ATOM 973 O MET A 120 36.451 9.472 -10.326 1.00 15.07 O ATOM 974 CB MET A 120 35.308 11.910 -12.249 1.00 11.24 C ATOM 975 CG MET A 120 36.035 12.618 -11.157 1.00 17.57 C ATOM 976 SD MET A 120 35.428 14.326 -11.205 1.00 24.81 S ATOM 977 CE MET A 120 33.848 14.049 -10.766 1.00 14.40 C ATOM 978 H MET A 120 34.497 10.455 -14.171 1.00 0.00 H ATOM 979 N MET A 121 34.340 9.069 -11.041 1.00 8.97 N ATOM 980 CA MET A 121 33.907 8.351 -9.861 1.00 7.53 C ATOM 981 C MET A 121 33.734 6.838 -10.115 1.00 7.22 C ATOM 982 O MET A 121 32.979 6.164 -9.419 1.00 10.94 O ATOM 983 CB MET A 121 32.609 8.952 -9.307 1.00 10.53 C ATOM 984 CG MET A 121 32.817 10.420 -8.919 1.00 13.72 C ATOM 985 SD MET A 121 31.266 11.166 -8.306 1.00 16.07 S ATOM 986 CE MET A 121 30.449 11.566 -9.901 1.00 13.32 C ATOM 987 H MET A 121 33.670 9.156 -11.832 1.00 0.00 H ATOM 988 N SER A 122 34.499 6.344 -11.071 1.00 9.22 N ATOM 989 CA SER A 122 34.489 4.929 -11.399 1.00 7.95 C ATOM 990 C SER A 122 35.121 4.115 -10.317 1.00 6.43 C ATOM 991 O SER A 122 35.980 4.596 -9.578 1.00 8.45 O ATOM 992 CB SER A 122 35.233 4.659 -12.716 1.00 9.33 C ATOM 993 OG SER A 122 36.622 4.841 -12.597 1.00 9.31 O ATOM 994 HG SER A 122 36.809 5.775 -12.326 1.00 0.00 H ATOM 995 H SER A 122 35.124 6.984 -11.602 1.00 0.00 H ATOM 996 N LYS A 123 34.795 2.828 -10.265 1.00 8.33 N ATOM 997 CA LYS A 123 35.470 1.896 -9.344 1.00 8.46 C ATOM 998 C LYS A 123 36.975 1.903 -9.540 1.00 9.46 C ATOM 999 O LYS A 123 37.719 1.896 -8.552 1.00 8.31 O ATOM 1000 CB LYS A 123 34.966 0.471 -9.537 1.00 13.78 C ATOM 1001 CG LYS A 123 33.504 0.299 -9.173 1.00 19.05 C ATOM 1002 CD LYS A 123 33.274 0.310 -7.672 1.00 27.92 C ATOM 1003 CE LYS A 123 31.782 0.175 -7.396 1.00 29.45 C ATOM 1004 NZ LYS A 123 31.450 0.307 -5.956 1.00 30.50 N ATOM 1005 HZ1 LYS A 123 31.942 -0.435 -5.419 1.00 0.00 H ATOM 1006 HZ2 LYS A 123 31.754 1.242 -5.616 1.00 0.00 H ATOM 1007 HZ3 LYS A 123 30.423 0.207 -5.828 1.00 0.00 H ATOM 1008 H LYS A 123 34.045 2.469 -10.890 1.00 0.00 H ATOM 1009 N GLU A 124 37.446 1.946 -10.790 1.00 8.04 N ATOM 1010 CA GLU A 124 38.874 1.952 -11.024 1.00 10.40 C ATOM 1011 C GLU A 124 39.558 3.251 -10.504 1.00 8.26 C ATOM 1012 O GLU A 124 40.679 3.170 -9.969 1.00 8.13 O ATOM 1013 CB GLU A 124 39.205 1.755 -12.490 1.00 17.33 C ATOM 1014 CG GLU A 124 40.608 1.235 -12.783 1.00 31.66 C ATOM 1015 CD GLU A 124 41.002 -0.121 -12.144 1.00 19.83 C ATOM 1016 OE1 GLU A 124 40.180 -1.054 -11.967 1.00 22.56 O ATOM 1017 OE2 GLU A 124 42.197 -0.266 -11.845 1.00 42.93 O ATOM 1018 H GLU A 124 36.787 1.975 -11.594 1.00 0.00 H ATOM 1019 N ARG A 125 38.947 4.411 -10.752 1.00 7.46 N ATOM 1020 CA ARG A 125 39.473 5.720 -10.243 1.00 7.50 C ATOM 1021 C ARG A 125 39.518 5.668 -8.729 1.00 7.70 C ATOM 1022 O ARG A 125 40.520 6.054 -8.102 1.00 7.53 O ATOM 1023 CB ARG A 125 38.687 7.026 -10.614 1.00 10.10 C ATOM 1024 CG ARG A 125 39.563 8.306 -10.345 1.00 10.33 C ATOM 1025 CD ARG A 125 39.103 9.744 -9.850 1.00 25.35 C ATOM 1026 NE ARG A 125 40.342 10.505 -9.490 1.00 25.61 N ATOM 1027 CZ ARG A 125 40.625 11.842 -9.436 1.00 20.82 C ATOM 1028 NH1 ARG A 125 39.804 12.911 -9.667 1.00 11.54 N ATOM 1029 NH2 ARG A 125 41.866 12.137 -9.108 1.00 26.97 N ATOM 1030 HE ARG A 125 41.145 9.897 -9.230 1.00 0.00 H ATOM 1031 HH12 ARG A 125 40.175 13.879 -9.584 1.00 0.00 H ATOM 1032 HH11 ARG A 125 38.809 12.756 -9.925 1.00 0.00 H ATOM 1033 HH22 ARG A 125 42.165 13.131 -9.044 1.00 0.00 H ATOM 1034 HH21 ARG A 125 42.547 11.376 -8.913 1.00 0.00 H ATOM 1035 H ARG A 125 38.075 4.407 -11.319 1.00 0.00 H ATOM 1036 N LEU A 126 38.418 5.222 -8.107 1.00 7.39 N ATOM 1037 CA LEU A 126 38.369 5.196 -6.634 1.00 8.16 C ATOM 1038 C LEU A 126 39.388 4.221 -6.054 1.00 7.42 C ATOM 1039 O LEU A 126 39.996 4.496 -5.017 1.00 9.20 O ATOM 1040 CB LEU A 126 36.964 4.851 -6.164 1.00 8.00 C ATOM 1041 CG LEU A 126 35.975 5.958 -6.501 1.00 9.90 C ATOM 1042 CD1 LEU A 126 34.541 5.519 -6.196 1.00 14.85 C ATOM 1043 CD2 LEU A 126 36.281 7.265 -5.818 1.00 15.18 C ATOM 1044 H LEU A 126 37.601 4.895 -8.662 1.00 0.00 H ATOM 1045 N LEU A 127 39.581 3.087 -6.715 1.00 7.93 N ATOM 1046 CA LEU A 127 40.637 2.120 -6.284 1.00 8.42 C ATOM 1047 C LEU A 127 42.037 2.740 -6.325 1.00 8.98 C ATOM 1048 O LEU A 127 42.854 2.552 -5.390 1.00 11.55 O ATOM 1049 CB LEU A 127 40.560 0.855 -7.143 1.00 11.12 C ATOM 1050 CG LEU A 127 41.617 -0.220 -6.879 1.00 15.99 C ATOM 1051 CD1 LEU A 127 41.503 -0.665 -5.440 1.00 17.85 C ATOM 1052 CD2 LEU A 127 41.414 -1.400 -7.842 1.00 25.73 C ATOM 1053 H LEU A 127 38.991 2.868 -7.543 1.00 0.00 H ATOM 1054 N ALA A 128 42.306 3.545 -7.351 1.00 8.77 N ATOM 1055 CA ALA A 128 43.589 4.246 -7.478 1.00 9.58 C ATOM 1056 C ALA A 128 43.766 5.210 -6.326 1.00 8.21 C ATOM 1057 O ALA A 128 44.848 5.235 -5.696 1.00 11.22 O ATOM 1058 CB ALA A 128 43.672 4.969 -8.791 1.00 14.56 C ATOM 1059 H ALA A 128 41.583 3.681 -8.086 1.00 0.00 H ATOM 1060 N LEU A 129 42.685 5.920 -5.973 1.00 6.89 N ATOM 1061 CA LEU A 129 42.755 6.881 -4.805 1.00 8.52 C ATOM 1062 C LEU A 129 43.014 6.095 -3.511 1.00 12.26 C ATOM 1063 O LEU A 129 43.903 6.417 -2.706 1.00 10.08 O ATOM 1064 CB LEU A 129 41.469 7.714 -4.703 1.00 11.87 C ATOM 1065 CG LEU A 129 41.264 8.894 -5.661 1.00 32.62 C ATOM 1066 CD1 LEU A 129 41.697 8.703 -7.106 1.00 60.50 C ATOM 1067 CD2 LEU A 129 39.810 9.331 -5.601 1.00 30.98 C ATOM 1068 H LEU A 129 41.797 5.811 -6.502 1.00 0.00 H ATOM 1069 N LYS A 130 42.286 4.998 -3.342 1.00 8.62 N ATOM 1070 CA LYS A 130 42.494 4.133 -2.188 1.00 11.38 C ATOM 1071 C LYS A 130 43.900 3.590 -2.073 1.00 14.30 C ATOM 1072 O LYS A 130 44.419 3.520 -0.959 1.00 14.12 O ATOM 1073 CB LYS A 130 41.497 2.997 -2.179 1.00 9.12 C ATOM 1074 CG LYS A 130 40.060 3.414 -1.934 1.00 12.03 C ATOM 1075 CD LYS A 130 39.172 2.168 -1.987 1.00 18.48 C ATOM 1076 CE LYS A 130 37.703 2.475 -2.011 1.00 25.27 C ATOM 1077 NZ LYS A 130 36.949 1.195 -1.928 1.00 37.13 N ATOM 1078 HZ1 LYS A 130 37.199 0.594 -2.739 1.00 0.00 H ATOM 1079 HZ2 LYS A 130 37.195 0.706 -1.044 1.00 0.00 H ATOM 1080 HZ3 LYS A 130 35.928 1.394 -1.944 1.00 0.00 H ATOM 1081 H LYS A 130 41.558 4.753 -4.043 1.00 0.00 H ATOM 1082 N ARG A 131 44.524 3.197 -3.193 1.00 9.68 N ATOM 1083 CA ARG A 131 45.924 2.759 -3.168 1.00 15.05 C ATOM 1084 C ARG A 131 46.870 3.810 -2.627 1.00 14.41 C ATOM 1085 O ARG A 131 47.853 3.465 -1.939 1.00 18.01 O ATOM 1086 CB ARG A 131 46.424 2.366 -4.532 1.00 17.22 C ATOM 1087 CG ARG A 131 45.858 1.077 -5.041 1.00 23.40 C ATOM 1088 CD ARG A 131 46.571 0.722 -6.334 1.00 24.43 C ATOM 1089 NE ARG A 131 45.841 -0.329 -7.002 1.00 43.81 N ATOM 1090 CZ ARG A 131 45.224 -0.203 -8.169 1.00 28.16 C ATOM 1091 NH1 ARG A 131 45.240 0.950 -8.855 1.00 21.72 N ATOM 1092 NH2 ARG A 131 44.597 -1.265 -8.639 1.00 29.87 N ATOM 1093 HE ARG A 131 45.795 -1.256 -6.532 1.00 0.00 H ATOM 1094 HH12 ARG A 131 44.747 1.019 -9.768 1.00 0.00 H ATOM 1095 HH11 ARG A 131 45.746 1.775 -8.474 1.00 0.00 H ATOM 1096 HH22 ARG A 131 44.099 -1.214 -9.551 1.00 0.00 H ATOM 1097 HH21 ARG A 131 44.601 -2.153 -8.098 1.00 0.00 H ATOM 1098 H ARG A 131 44.006 3.203 -4.095 1.00 0.00 H ATOM 1099 N SER A 132 46.627 5.060 -2.970 1.00 11.71 N ATOM 1100 CA SER A 132 47.508 6.147 -2.572 1.00 13.01 C ATOM 1101 C SER A 132 47.274 6.507 -1.109 1.00 18.68 C ATOM 1102 O SER A 132 48.110 7.155 -0.484 1.00 14.38 O ATOM 1103 CB SER A 132 47.276 7.365 -3.426 1.00 13.84 C ATOM 1104 OG SER A 132 46.060 8.006 -3.168 1.00 15.94 O ATOM 1105 HG SER A 132 45.314 7.378 -3.339 1.00 0.00 H ATOM 1106 H SER A 132 45.784 5.274 -3.540 1.00 0.00 H ATOM 1107 N MET A 133 46.104 6.147 -0.596 1.00 16.36 N ATOM 1108 CA MET A 133 45.815 6.289 0.861 1.00 22.21 C ATOM 1109 C MET A 133 46.270 5.129 1.693 1.00 31.26 C ATOM 1110 O MET A 133 45.667 4.817 2.717 1.00 54.57 O ATOM 1111 CB MET A 133 44.324 6.394 1.102 1.00 22.40 C ATOM 1112 CG MET A 133 43.755 7.576 0.479 1.00 22.16 C ATOM 1113 SD MET A 133 41.962 7.455 0.261 1.00 33.85 S ATOM 1114 CE MET A 133 41.867 9.139 -0.384 1.00 23.98 C ATOM 1115 H MET A 133 45.372 5.757 -1.224 1.00 0.00 H ATOM 1116 N SER A 134 47.285 4.440 1.234 1.00 38.05 N ATOM 1117 CA SER A 134 47.938 3.485 2.057 1.00 54.85 C ATOM 1118 C SER A 134 49.332 4.057 2.342 1.00 53.40 C ATOM 1119 O SER A 134 50.023 3.495 3.180 1.00 60.05 O ATOM 1120 CB SER A 134 47.947 2.133 1.350 1.00 37.95 C ATOM 1121 OG SER A 134 46.629 1.828 0.883 1.00 40.05 O ATOM 1122 OXT SER A 134 49.782 5.099 1.798 1.00 16.75 O ATOM 1123 HG SER A 134 46.334 2.529 0.250 1.00 0.00 H ATOM 1124 H SER A 134 47.615 4.594 0.260 1.00 0.00 H TER 1125 SER A 134 HETATM 1126 O HOH 1 43.867 -1.488 -11.048 1.00 18.47 O HETATM 1127 O HOH 2 9.325 17.115 -26.357 1.00 23.88 O HETATM 1128 O HOH 3 46.865 2.787 -9.140 1.00 37.20 O HETATM 1129 O HOH 4 30.854 8.283 5.833 1.00 32.27 O HETATM 1130 O HOH 5 42.898 1.756 -10.575 1.00 15.30 O HETATM 1131 O HOH 6 4.399 25.371 -11.847 1.00 33.50 O HETATM 1132 O HOH 7 26.713 4.666 1.057 1.00 30.35 O HETATM 1133 O HOH 8 26.975 24.966 -22.304 1.00 21.31 O HETATM 1134 O HOH 9 31.665 30.397 -16.340 1.00 25.10 O HETATM 1135 O HOH 10 11.078 18.137 -24.375 1.00 28.45 O HETATM 1136 O HOH 11 13.850 19.747 -32.463 1.00 27.07 O HETATM 1137 O HOH 12 31.375 4.664 -13.271 1.00 14.14 O HETATM 1138 O HOH 13 37.166 21.566 -0.582 1.00 42.67 O HETATM 1139 O HOH 14 38.030 19.933 -1.913 1.00 22.41 O HETATM 1140 O HOH 15 17.721 9.319 -25.134 1.00 38.64 O HETATM 1141 O HOH 16 13.643 18.750 -30.017 1.00 35.12 O HETATM 1142 O HOH 17 23.753 29.700 -13.664 1.00 14.72 O HETATM 1143 O HOH 18 14.069 21.250 -24.425 1.00 14.13 O HETATM 1144 O HOH 19 15.558 27.961 -9.292 1.00 11.97 O HETATM 1145 O HOH 20 9.372 18.761 -9.569 1.00 29.37 O HETATM 1146 O HOH 21 17.686 19.211 -34.331 1.00 34.93 O HETATM 1147 O HOH 22 37.589 -1.774 -11.384 1.00 34.69 O HETATM 1148 O HOH 23 6.785 17.891 -9.123 1.00 33.54 O HETATM 1149 O HOH 24 28.337 29.636 -14.909 1.00 32.63 O HETATM 1150 O HOH 25 39.626 20.576 -6.738 1.00 29.18 O HETATM 1151 O HOH 26 41.097 -3.524 -11.027 1.00 34.21 O HETATM 1152 O HOH 27 4.672 24.649 -16.152 1.00 20.63 O HETATM 1153 O HOH 28 32.016 3.915 -8.018 1.00 29.32 O HETATM 1154 O HOH 29 20.361 25.226 -3.570 1.00 47.38 O HETATM 1155 O HOH 30 22.284 27.580 -6.907 1.00 28.99 O HETATM 1156 O HOH 31 14.650 25.880 -20.913 1.00 13.97 O HETATM 1157 O HOH 32 48.256 2.928 5.340 1.00 46.07 O HETATM 1158 O HOH 33 46.158 9.463 -5.613 1.00 25.31 O HETATM 1159 O HOH 34 8.448 32.021 -18.577 1.00 34.44 O HETATM 1160 O HOH 35 23.125 7.812 -27.871 1.00 42.66 O HETATM 1161 O HOH 36 36.813 0.718 -6.117 1.00 19.85 O HETATM 1162 O HOH 37 37.877 -0.344 -4.145 1.00 37.23 O HETATM 1163 O HOH 38 22.028 4.571 4.640 1.00 40.88 O HETATM 1164 O HOH 39 42.066 8.095 -18.518 1.00 30.29 O HETATM 1165 O HOH 40 13.118 18.908 -25.753 1.00 12.02 O HETATM 1166 O HOH 41 19.024 5.717 -14.932 1.00 39.39 O HETATM 1167 O HOH 42 9.000 26.201 -10.875 1.00 19.70 O HETATM 1168 O HOH 43 44.787 12.165 -9.149 1.00 34.87 O HETATM 1169 O HOH 44 20.593 25.432 -5.770 1.00 23.15 O HETATM 1170 O HOH 45 15.474 26.640 -23.097 1.00 16.61 O HETATM 1171 O HOH 46 6.375 15.192 -11.291 1.00 33.73 O HETATM 1172 O HOH 47 35.694 1.128 -13.184 1.00 11.12 O HETATM 1173 O HOH 48 21.525 21.952 -30.032 1.00 30.31 O HETATM 1174 O HOH 49 35.067 1.794 -4.444 1.00 22.76 O HETATM 1175 O HOH 50 35.636 11.725 6.390 1.00 13.23 O HETATM 1176 O HOH 51 3.299 17.586 -10.336 1.00 30.31 O HETATM 1177 O HOH 52 3.494 13.135 -16.416 1.00 23.94 O HETATM 1178 O HOH 53 40.358 20.335 0.000 1.00 35.29 O HETATM 1179 O HOH 54 40.339 14.631 1.183 1.00 30.29 O HETATM 1180 O HOH 55 12.106 32.349 -18.063 1.00 35.36 O HETATM 1181 O HOH 56 30.631 2.314 -9.700 1.00 23.24 O HETATM 1182 O HOH 57 37.351 -0.182 1.181 1.00 28.23 O HETATM 1183 O HOH 58 30.371 5.004 -6.343 1.00 26.03 O HETATM 1184 O HOH 59 43.009 15.281 -10.038 1.00 35.17 O HETATM 1185 O HOH 60 6.489 10.959 -26.699 1.00 30.06 O HETATM 1186 O HOH 61 27.625 3.878 -6.950 1.00 22.43 O HETATM 1187 O HOH 62 42.068 5.339 -12.567 1.00 38.41 O HETATM 1188 O HOH 63 42.296 7.440 -16.166 1.00 41.30 O HETATM 1189 O HOH 64 5.641 12.158 -13.248 1.00 29.63 O HETATM 1190 O HOH 65 8.650 15.105 -22.381 1.00 30.29 O HETATM 1191 O HOH 66 23.967 3.283 4.012 1.00 31.72 O HETATM 1192 O HOH 67 24.201 2.391 -15.196 1.00 36.24 O HETATM 1193 O HOH 68 23.576 4.425 -0.600 1.00 39.52 O HETATM 1194 O HOH 69 5.485 13.171 -11.287 1.00 22.50 O HETATM 1195 O HOH 70 29.792 23.868 -22.413 1.00 32.93 O HETATM 1196 O HOH 71 26.626 8.322 -29.145 1.00 37.04 O HETATM 1197 O HOH 72 28.225 4.464 3.683 1.00 32.75 O HETATM 1198 O HOH 73 5.659 15.513 -7.962 1.00 33.54 O HETATM 1199 O HOH 74 26.339 3.940 5.420 1.00 33.58 O HETATM 1200 O HOH 75 13.406 26.995 -7.713 1.00 17.26 O HETATM 1201 O HOH 76 49.772 4.775 -6.250 1.00 38.47 O HETATM 1202 O HOH 77 6.508 12.148 -30.448 1.00 42.79 O HETATM 1203 O HOH 78 26.329 29.213 -9.192 1.00 36.05 O HETATM 1204 O HOH 79 6.423 10.950 -23.942 1.00 16.57 O HETATM 1205 O HOH 80 15.440 30.574 -9.886 1.00 19.10 O HETATM 1206 O HOH 81 33.425 10.715 -25.641 1.00 27.47 O HETATM 1207 O HOH 82 12.684 31.247 -8.952 1.00 26.99 O HETATM 1208 O HOH 83 18.687 18.337 -14.044 1.00 4.88 O HETATM 1209 O HOH 84 27.509 24.971 -19.561 1.00 11.51 O HETATM 1210 O HOH 85 19.670 22.990 -13.369 1.00 6.66 O HETATM 1211 O HOH 86 16.224 21.178 -10.974 1.00 8.49 O HETATM 1212 O HOH 87 16.537 18.439 -12.179 1.00 7.47 O HETATM 1213 O HOH 88 17.033 18.882 -16.105 1.00 6.12 O HETATM 1214 O HOH 89 12.808 31.308 -13.258 1.00 13.19 O HETATM 1215 O HOH 90 32.313 13.821 -21.179 1.00 13.08 O HETATM 1216 O HOH 91 19.996 20.322 -12.796 1.00 8.87 O HETATM 1217 O HOH 92 17.031 20.995 -8.366 1.00 9.44 O HETATM 1218 O HOH 93 33.923 24.586 -10.699 1.00 22.05 O HETATM 1219 O HOH 94 27.491 24.839 -12.952 1.00 20.00 O HETATM 1220 O HOH 95 15.561 14.695 -30.849 1.00 26.31 O HETATM 1221 O HOH 96 27.622 19.636 -24.657 1.00 13.33 O HETATM 1222 O HOH 97 13.547 21.848 -10.596 1.00 13.70 O HETATM 1223 O HOH 98 20.057 8.380 -9.096 1.00 13.16 O HETATM 1224 O HOH 99 11.409 11.362 -21.624 1.00 24.72 O HETATM 1225 O HOH 100 14.824 15.776 -5.391 1.00 23.05 O HETATM 1226 O HOH 101 11.874 25.117 -9.159 1.00 26.67 O HETATM 1227 O HOH 102 15.065 10.983 -13.724 1.00 15.88 O HETATM 1228 O HOH 103 25.831 26.180 -8.318 1.00 18.29 O HETATM 1229 O HOH 104 15.466 21.193 -6.230 1.00 16.36 O HETATM 1230 O HOH 105 21.430 5.958 -8.548 1.00 20.66 O HETATM 1231 O HOH 106 13.012 12.712 -11.192 1.00 11.17 O HETATM 1232 O HOH 107 10.259 12.013 -12.976 1.00 20.21 O HETATM 1233 O HOH 108 21.813 10.268 -2.810 1.00 17.96 O HETATM 1234 O HOH 109 12.566 32.956 -15.587 1.00 24.46 O HETATM 1235 O HOH 110 26.960 14.948 -25.365 1.00 14.68 O HETATM 1236 O HOH 111 25.250 21.143 -25.261 1.00 15.25 O HETATM 1237 O HOH 112 8.555 29.213 -12.226 1.00 15.13 O HETATM 1238 O HOH 113 14.988 12.470 -24.170 1.00 20.34 O HETATM 1239 O HOH 114 32.618 22.193 -4.612 1.00 22.02 O HETATM 1240 O HOH 115 24.539 6.129 -9.100 1.00 12.57 O HETATM 1241 O HOH 116 10.126 23.276 -11.909 1.00 11.87 O HETATM 1242 O HOH 117 36.670 19.321 -15.156 1.00 28.31 O HETATM 1243 O HOH 118 47.201 5.003 -6.997 1.00 18.40 O HETATM 1244 O HOH 119 19.507 23.422 -0.906 1.00 31.99 O HETATM 1245 O HOH 120 10.928 31.744 -11.560 1.00 31.63 O HETATM 1246 O HOH 121 36.235 12.796 -15.954 1.00 17.75 O HETATM 1247 O HOH 122 22.464 13.985 -28.446 1.00 22.79 O HETATM 1248 O HOH 123 21.447 16.827 -32.809 1.00 41.22 O HETATM 1249 O HOH 124 18.708 8.593 -11.610 1.00 19.20 O HETATM 1250 O HOH 125 5.988 27.768 -18.016 1.00 32.31 O HETATM 1251 O HOH 126 36.236 13.341 -18.832 1.00 34.41 O HETATM 1252 O HOH 127 27.721 3.728 -9.810 1.00 22.35 O HETATM 1253 O HOH 128 25.388 5.621 -6.643 1.00 16.25 O HETATM 1254 O HOH 129 19.727 10.465 -5.053 1.00 19.47 O HETATM 1255 O HOH 130 31.606 13.986 6.823 1.00 26.14 O HETATM 1256 O HOH 131 34.075 23.871 -3.110 1.00 35.44 O HETATM 1257 O HOH 132 20.769 20.647 2.143 1.00 31.76 O HETATM 1258 O HOH 133 10.754 21.178 -10.407 1.00 21.96 O HETATM 1259 O HOH 134 7.920 11.858 -16.476 1.00 16.41 O HETATM 1260 O HOH 135 16.011 19.050 -4.811 1.00 28.42 O HETATM 1261 O HOH 136 18.214 13.237 -3.401 1.00 21.23 O HETATM 1262 O HOH 137 24.909 3.673 -11.357 1.00 9.59 O HETATM 1263 O HOH 138 31.573 23.572 -7.154 1.00 27.79 O HETATM 1264 O HOH 139 29.661 21.110 -24.085 1.00 29.58 O HETATM 1265 O HOH 140 31.955 10.040 -23.673 1.00 23.51 O HETATM 1266 O HOH 141 34.100 11.139 -20.618 1.00 31.57 O HETATM 1267 O HOH 142 9.985 34.460 -14.719 1.00 38.53 O HETATM 1268 O HOH 143 24.380 4.947 1.672 1.00 30.59 O HETATM 1269 O HOH 144 28.218 15.410 3.077 1.00 26.27 O HETATM 1270 O HOH 145 24.639 13.534 -27.094 1.00 26.88 O HETATM 1271 O HOH 146 34.112 21.752 -20.339 1.00 35.52 O HETATM 1272 O HOH 147 35.082 25.435 -17.372 1.00 26.61 O HETATM 1273 O HOH 148 33.766 26.948 -15.464 1.00 33.41 O HETATM 1274 O HOH 149 45.018 8.118 -7.445 1.00 36.26 O HETATM 1275 O HOH 150 29.040 7.180 7.938 1.00 22.80 O HETATM 1276 O HOH 151 25.051 21.948 -27.924 1.00 33.83 O HETATM 1277 O HOH 152 34.113 15.998 -21.221 1.00 27.22 O HETATM 1278 O HOH 153 18.567 8.804 -6.807 1.00 24.37 O HETATM 1279 O HOH 154 20.603 4.817 -6.315 1.00 24.25 O HETATM 1280 O HOH 155 23.402 4.308 -5.146 1.00 29.99 O HETATM 1281 O HOH 156 22.946 5.813 -2.765 1.00 24.10 O HETATM 1282 O HOH 157 21.340 7.810 -2.185 1.00 31.71 O HETATM 1283 O HOH 158 21.202 11.831 -0.540 1.00 30.39 O HETATM 1284 O HOH 159 18.141 11.092 -1.050 1.00 33.33 O HETATM 1285 O HOH 160 16.114 13.418 -4.290 1.00 47.30 O HETATM 1286 O HOH 161 17.734 15.783 -1.348 1.00 34.73 O HETATM 1287 O HOH 162 23.950 23.514 3.568 1.00 19.42 O HETATM 1288 O HOH 163 12.284 15.413 -4.599 1.00 31.18 O HETATM 1289 O HOH 164 13.569 10.180 -10.028 1.00 25.76 O HETATM 1290 O HOH 165 15.389 9.409 -7.066 1.00 34.91 O HETATM 1291 O HOH 166 15.956 8.956 -11.962 1.00 28.55 O HETATM 1292 O HOH 167 27.222 24.701 -6.692 1.00 34.76 O HETATM 1293 O HOH 168 30.188 27.397 -8.765 1.00 39.51 O HETATM 1294 O HOH 169 17.577 22.833 -3.525 1.00 40.14 O HETATM 1295 O HOH 170 18.189 19.003 -0.196 1.00 38.66 O HETATM 1296 O HOH 171 24.887 26.438 -3.370 1.00 33.53 O HETATM 1297 O HOH 172 31.890 18.726 8.856 1.00 34.25 O HETATM 1298 O HOH 173 32.402 25.213 -8.680 1.00 35.88 O HETATM 1299 O HOH 174 32.932 26.393 -12.133 1.00 41.26 O HETATM 1300 O HOH 175 31.277 26.489 -13.947 1.00 35.60 O HETATM 1301 O HOH 176 31.065 21.448 -21.417 1.00 34.72 O HETATM 1302 O HOH 177 6.076 29.437 -13.698 1.00 35.63 O HETATM 1303 O HOH 178 4.401 27.686 -15.711 1.00 33.75 O HETATM 1304 O HOH 179 25.138 25.725 2.422 1.00 44.14 O HETATM 1305 O HOH 180 20.813 9.904 -27.682 1.00 33.43 O HETATM 1306 O HOH 181 18.194 8.369 -28.213 1.00 38.64 O HETATM 1307 O HOH 182 31.125 13.236 -23.808 1.00 33.02 O HETATM 1308 O HOH 183 28.732 12.742 -24.527 1.00 36.31 O HETATM 1309 O HOH 184 47.121 7.213 -8.620 1.00 38.54 O HETATM 1310 O HOH 185 4.954 8.488 -10.133 1.00 31.55 O HETATM 1311 O HOH 186 5.519 12.734 -17.696 1.00 14.47 O HETATM 1312 O HOH 187 5.064 9.790 -19.803 1.00 43.14 O HETATM 1313 O HOH 188 4.419 12.117 -18.923 1.00 24.20 O HETATM 1314 O HOH 189 30.164 21.612 6.890 1.00 38.24 O HETATM 1315 O HOH 190 34.434 18.274 11.187 1.00 40.85 O HETATM 1316 O HOH 191 43.025 9.357 -9.830 1.00 46.40 O HETATM 1317 C4 UNN A 192 18.201 28.027 -19.167 1.00 0.01 C HETATM 1318 C5 UNN A 192 17.763 26.742 -19.402 1.00 -0.05 C HETATM 1319 C6 UNN A 192 17.783 25.828 -18.294 1.00 0.04 C HETATM 1320 C7 UNN A 192 17.383 24.453 -18.484 1.00 0.05 C HETATM 1321 C8 UNN A 192 17.943 23.325 -17.907 1.00 0.08 C HETATM 1322 C9 UNN A 192 17.492 22.082 -18.271 1.00 0.15 C HETATM 1323 N3 UNN A 192 18.146 21.121 -17.567 1.00 -0.24 N HETATM 1324 C11 UNN A 192 19.024 21.746 -16.779 1.00 0.11 C HETATM 1325 N4 UNN A 192 18.926 23.063 -16.942 1.00 -0.30 N HETATM 1326 H2 UNN A 192 19.718 21.251 -16.102 1.00 0.13 H HETATM 1327 H6 UNN A 192 17.993 20.104 -17.630 1.00 0.24 H HETATM 1328 N UNN A 192 16.546 21.892 -19.201 1.00 -0.25 N HETATM 1329 C10 UNN A 192 16.050 22.947 -19.778 1.00 0.17 C HETATM 1330 N1 UNN A 192 15.116 22.821 -20.736 1.00 -0.31 N HETATM 1331 H3 UNN A 192 14.727 23.660 -21.189 1.00 0.18 H HETATM 1332 H4 UNN A 192 14.789 21.885 -21.017 1.00 0.18 H HETATM 1333 N2 UNN A 192 16.458 24.183 -19.467 1.00 -0.27 N HETATM 1334 C1 UNN A 192 18.299 26.328 -17.064 1.00 0.11 C HETATM 1335 C2 UNN A 192 18.731 27.620 -16.882 1.00 -0.02 C HETATM 1336 C3 UNN A 192 18.698 28.486 -17.967 1.00 -0.06 C HETATM 1337 H5 UNN A 192 19.057 29.505 -17.872 1.00 0.06 H HETATM 1338 H7 UNN A 192 19.089 27.955 -15.915 1.00 0.06 H HETATM 1339 O UNN A 192 18.248 25.462 -16.029 1.00 -0.31 O HETATM 1340 C UNN A 192 18.446 25.900 -14.658 1.00 0.06 C HETATM 1341 H8 UNN A 192 18.363 25.037 -13.982 1.00 0.06 H HETATM 1342 H9 UNN A 192 17.680 26.645 -14.397 1.00 0.06 H HETATM 1343 H10 UNN A 192 19.445 26.350 -14.557 1.00 0.06 H HETATM 1344 H1 UNN A 192 17.418 26.434 -20.382 1.00 0.07 H HETATM 1345 BR UNN A 192 18.095 29.263 -20.579 1.00 -0.06 BR CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1317 1318 1336 1345 CONECT 1318 1317 1319 1344 CONECT 1319 1318 1320 1334 CONECT 1320 1319 1321 1333 CONECT 1321 1320 1322 1325 CONECT 1322 1321 1323 1328 CONECT 1323 1322 1324 1327 CONECT 1324 1323 1325 1326 CONECT 1325 1321 1324 CONECT 1326 1324 CONECT 1327 1323 CONECT 1328 1322 1329 CONECT 1329 1328 1330 1333 CONECT 1330 1329 1331 1332 CONECT 1331 1330 CONECT 1332 1330 CONECT 1333 1320 1329 CONECT 1334 1319 1335 1339 CONECT 1335 1334 1336 1338 CONECT 1336 1317 1335 1337 CONECT 1337 1336 CONECT 1338 1335 CONECT 1339 1334 1340 CONECT 1340 1339 1341 1342 1343 CONECT 1341 1340 CONECT 1342 1340 CONECT 1343 1340 CONECT 1344 1318 CONECT 1345 1317 MASTER 0 0 0 0 0 0 0 0 1344 1 33 9 END
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Structure:
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Protein
Pocket-Ligand
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Related entries of code: 4xy8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uit
RCSB PDB
PDBbind
106aa, >4UIT_1|Chain... at 99%
4uiu
RCSB PDB
PDBbind
106aa, >4UIU_1|Chain... at 99%
4uiv
RCSB PDB
PDBbind
106aa, >4UIV_1|Chain... at 99%
4uiw
RCSB PDB
PDBbind
106aa, >4UIW_1|Chain... at 99%
4z6h
RCSB PDB
PDBbind
123aa, >4Z6H_1|Chains... at 100%
4z6i
RCSB PDB
PDBbind
123aa, >4Z6I_1|Chains... at 100%
5eu1
RCSB PDB
PDBbind
123aa, >5EU1_1|Chains... at 100%
5f1h
RCSB PDB
PDBbind
123aa, >5F1H_1|Chains... at 100%
5f1l
RCSB PDB
PDBbind
123aa, >5F1L_1|Chains... at 100%
5f25
RCSB PDB
PDBbind
123aa, >5F25_1|Chains... at 100%
5f2p
RCSB PDB
PDBbind
123aa, >5F2P_1|Chains... at 100%
5i40
RCSB PDB
PDBbind
102aa, >5I40_1|Chain... at 100%
5i7x
RCSB PDB
PDBbind
101aa, >5I7X_1|Chain... at 100%
5i7y
RCSB PDB
PDBbind
101aa, >5I7Y_1|Chain... at 100%
5igm
RCSB PDB
PDBbind
123aa, >5IGM_1|Chains... at 100%
5ji8
RCSB PDB
PDBbind
111aa, >5JI8_1|Chain... at 92%
5mky
RCSB PDB
PDBbind
106aa, >5MKY_1|Chain... at 99%
6bqa
RCSB PDB
PDBbind
102aa, >6BQA_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4xy9
RCSB PDB
PDBbind
43U
Entry Information
PDB ID
4xy8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain-containing protein 9
Ligand Name
43U
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=397nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 2718-2736
Ligand Properties
Formula
C
1
2
H
1
0
BrN
5
O
Molecular Weight
320.145
Exact Mass
319.007
No. of atoms
29
No. of bonds
31
Polar Surface Area
89.71
LOGP Value
2.08 (
Computed with XLOGP3
)
2.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
COc1ccc(cc1c1nc(N)nc2c1nc[nH]2)Br
InChI String
InChI=1S/C12H10BrN5O/c1-19-8-3-2-6(13)4-7(8)9-10-11(16-5-15-10)18-12(14)17-9/h2-5H,1H3,(H3,14,15,16,17,18)
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):
Q9H8M2
Entrez Gene ID
NCBI Entrez Gene ID:
65980
ASD
Information of known allosteric effects of PDB entries
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