Browse entries in the PDBbind-CN Database
HEADER 6UDT_COMPLEX COMPND 6UDT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER ARG SEQRES 2 A 155 TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR LYS SEQRES 3 A 155 PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA LEU SEQRES 4 A 155 GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG ASN SEQRES 5 A 155 HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU ASP SEQRES 6 A 155 ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG VAL SEQRES 7 A 155 MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP GLY SEQRES 8 A 155 ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL ALA SEQRES 9 A 155 LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE GLU SEQRES 10 A 155 PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG THR SEQRES 11 A 155 LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP GLY SEQRES 12 A 155 PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY HET Q A 4V 80 ATOM 1 N ASP A 172 3.136 15.862 75.039 1.00 20.87 N ATOM 2 CA ASP A 172 2.596 15.114 76.210 1.00 19.62 C ATOM 3 C ASP A 172 2.556 16.028 77.443 1.00 18.03 C ATOM 4 O ASP A 172 3.502 16.070 78.249 1.00 17.05 O ATOM 5 CB ASP A 172 3.456 13.878 76.465 1.00 18.14 C ATOM 6 CG ASP A 172 2.862 12.933 77.521 1.00 17.13 C ATOM 7 OD1 ASP A 172 1.904 13.292 78.232 1.00 15.93 O ATOM 8 OD2 ASP A 172 3.398 11.814 77.622 1.00 17.51 O ATOM 9 HN3 ASP A 172 4.099 16.191 75.253 1.00 0.00 H ATOM 10 HN2 ASP A 172 2.525 16.680 74.840 1.00 0.00 H ATOM 11 HN1 ASP A 172 3.159 15.235 74.209 1.00 0.00 H ATOM 12 N GLU A 173 1.450 16.746 77.579 1.00 18.20 N ATOM 13 CA GLU A 173 1.329 17.769 78.603 1.00 20.20 C ATOM 14 C GLU A 173 1.315 17.167 80.001 1.00 17.97 C ATOM 15 O GLU A 173 1.897 17.743 80.917 1.00 17.12 O ATOM 16 CB GLU A 173 0.077 18.625 78.382 1.00 24.21 C ATOM 17 CG GLU A 173 -0.143 19.706 79.429 1.00 30.38 C ATOM 18 CD GLU A 173 1.005 20.698 79.505 1.00 35.23 C ATOM 19 OE1 GLU A 173 1.124 21.535 78.584 1.00 43.28 O ATOM 20 OE2 GLU A 173 1.794 20.638 80.478 1.00 36.95 O ATOM 21 H GLU A 173 0.650 16.573 76.937 1.00 0.00 H ATOM 22 N LEU A 174 0.645 16.028 80.171 1.00 15.23 N ATOM 23 CA LEU A 174 0.610 15.383 81.481 1.00 13.82 C ATOM 24 C LEU A 174 2.010 14.979 81.909 1.00 12.67 C ATOM 25 O LEU A 174 2.377 15.188 83.061 1.00 11.10 O ATOM 26 CB LEU A 174 -0.318 14.150 81.506 1.00 13.76 C ATOM 27 CG LEU A 174 -0.382 13.385 82.840 1.00 13.45 C ATOM 28 CD1 LEU A 174 -0.840 14.287 83.982 1.00 14.70 C ATOM 29 CD2 LEU A 174 -1.296 12.164 82.718 1.00 14.17 C ATOM 30 H LEU A 174 0.145 15.596 79.368 1.00 0.00 H ATOM 31 N TYR A 175 2.799 14.398 81.009 1.00 12.15 N ATOM 32 CA TYR A 175 4.169 14.022 81.361 1.00 12.15 C ATOM 33 C TYR A 175 4.998 15.251 81.758 1.00 12.39 C ATOM 34 O TYR A 175 5.693 15.260 82.782 1.00 11.74 O ATOM 35 CB TYR A 175 4.889 13.266 80.237 1.00 12.88 C ATOM 36 CG TYR A 175 6.238 12.780 80.706 1.00 14.18 C ATOM 37 CD1 TYR A 175 6.362 11.554 81.347 1.00 15.85 C ATOM 38 CD2 TYR A 175 7.381 13.567 80.576 1.00 15.46 C ATOM 39 CE1 TYR A 175 7.579 11.113 81.830 1.00 17.14 C ATOM 40 CE2 TYR A 175 8.612 13.131 81.054 1.00 16.39 C ATOM 41 CZ TYR A 175 8.704 11.902 81.679 1.00 17.83 C ATOM 42 OH TYR A 175 9.910 11.458 82.174 1.00 20.55 O ATOM 43 HH TYR A 175 9.788 10.565 82.585 1.00 0.00 H ATOM 44 H TYR A 175 2.441 14.210 80.051 1.00 0.00 H ATOM 45 N ARG A 176 4.937 16.293 80.933 1.00 13.31 N ATOM 46 CA ARG A 176 5.727 17.500 81.166 1.00 14.96 C ATOM 47 C ARG A 176 5.374 18.149 82.507 1.00 13.32 C ATOM 48 O ARG A 176 6.272 18.565 83.265 1.00 13.14 O ATOM 49 CB ARG A 176 5.488 18.498 80.028 1.00 17.77 C ATOM 50 CG ARG A 176 6.390 19.743 80.037 1.00 21.84 C ATOM 51 CD ARG A 176 5.670 20.970 79.468 1.00 24.90 C ATOM 52 NE ARG A 176 4.502 21.300 80.286 1.00 28.76 N ATOM 53 CZ ARG A 176 4.533 21.908 81.475 1.00 28.94 C ATOM 54 NH1 ARG A 176 5.684 22.315 82.016 1.00 31.16 N ATOM 55 NH2 ARG A 176 3.396 22.121 82.122 1.00 30.21 N ATOM 56 HE ARG A 176 3.568 21.039 79.909 1.00 0.00 H ATOM 57 HH12 ARG A 176 5.685 22.786 82.943 1.00 0.00 H ATOM 58 HH11 ARG A 176 6.580 22.161 81.510 1.00 0.00 H ATOM 59 HH22 ARG A 176 3.406 22.593 83.049 1.00 0.00 H ATOM 60 HH21 ARG A 176 2.494 21.816 81.703 1.00 0.00 H ATOM 61 H ARG A 176 4.312 16.247 80.103 1.00 0.00 H ATOM 62 N GLN A 177 4.082 18.239 82.788 1.00 12.80 N ATOM 63 CA GLN A 177 3.602 18.860 84.008 1.00 12.69 C ATOM 64 C GLN A 177 4.032 18.031 85.211 1.00 11.41 C ATOM 65 O GLN A 177 4.528 18.558 86.212 1.00 11.98 O ATOM 66 CB GLN A 177 2.094 18.981 83.978 1.00 13.31 C ATOM 67 CG GLN A 177 1.553 19.676 85.190 1.00 14.44 C ATOM 68 CD GLN A 177 0.087 19.937 85.078 1.00 14.96 C ATOM 69 OE1 GLN A 177 -0.647 19.136 84.508 1.00 14.92 O ATOM 70 NE2 GLN A 177 -0.354 21.065 85.628 1.00 17.03 N ATOM 71 HE22 GLN A 177 0.313 21.709 86.099 1.00 0.00 H ATOM 72 HE21 GLN A 177 -1.366 21.303 85.587 1.00 0.00 H ATOM 73 H GLN A 177 3.391 17.853 82.113 1.00 0.00 H ATOM 74 N SER A 178 3.868 16.723 85.094 1.00 11.44 N ATOM 75 CA SER A 178 4.276 15.789 86.159 1.00 10.60 C ATOM 76 C SER A 178 5.755 15.909 86.484 1.00 10.86 C ATOM 77 O SER A 178 6.137 15.971 87.652 1.00 10.98 O ATOM 78 CB SER A 178 3.934 14.344 85.784 1.00 10.68 C ATOM 79 OG SER A 178 2.539 14.183 85.573 1.00 10.64 O ATOM 80 HG SER A 178 2.247 14.778 84.837 1.00 0.00 H ATOM 81 H SER A 178 3.439 16.343 84.226 1.00 0.00 H ATOM 82 N LEU A 179 6.581 15.951 85.445 1.00 11.20 N ATOM 83 CA LEU A 179 8.024 16.045 85.629 1.00 11.91 C ATOM 84 C LEU A 179 8.381 17.360 86.311 1.00 12.03 C ATOM 85 O LEU A 179 9.231 17.396 87.204 1.00 12.68 O ATOM 86 CB LEU A 179 8.756 15.919 84.288 1.00 13.73 C ATOM 87 CG LEU A 179 10.287 15.942 84.387 1.00 15.42 C ATOM 88 CD1 LEU A 179 10.877 14.798 85.210 1.00 16.99 C ATOM 89 CD2 LEU A 179 10.882 15.903 82.988 1.00 16.37 C ATOM 90 H LEU A 179 6.191 15.916 84.482 1.00 0.00 H ATOM 91 N GLU A 180 7.721 18.438 85.914 1.00 12.54 N ATOM 92 CA GLU A 180 7.999 19.731 86.520 1.00 13.70 C ATOM 93 C GLU A 180 7.671 19.746 88.014 1.00 13.14 C ATOM 94 O GLU A 180 8.479 20.210 88.824 1.00 13.11 O ATOM 95 CB GLU A 180 7.246 20.853 85.803 1.00 16.77 C ATOM 96 CG GLU A 180 7.574 22.214 86.381 1.00 19.03 C ATOM 97 CD GLU A 180 7.551 23.339 85.371 1.00 22.90 C ATOM 98 OE1 GLU A 180 6.538 23.477 84.663 1.00 28.41 O ATOM 99 OE2 GLU A 180 8.544 24.106 85.320 1.00 28.61 O ATOM 100 H GLU A 180 7.002 18.360 85.167 1.00 0.00 H ATOM 101 N ILE A 181 6.516 19.208 88.382 1.00 11.56 N ATOM 102 CA ILE A 181 6.077 19.213 89.773 1.00 10.75 C ATOM 103 C ILE A 181 6.987 18.328 90.623 1.00 10.26 C ATOM 104 O ILE A 181 7.460 18.711 91.695 1.00 10.81 O ATOM 105 CB ILE A 181 4.608 18.724 89.870 1.00 10.80 C ATOM 106 CG1 ILE A 181 3.637 19.740 89.241 1.00 11.83 C ATOM 107 CG2 ILE A 181 4.220 18.425 91.316 1.00 11.76 C ATOM 108 CD1 ILE A 181 2.257 19.166 88.956 1.00 12.32 C ATOM 109 H ILE A 181 5.908 18.771 87.660 1.00 0.00 H ATOM 110 N ILE A 182 7.219 17.123 90.134 1.00 9.50 N ATOM 111 CA ILE A 182 8.009 16.131 90.863 1.00 9.75 C ATOM 112 C ILE A 182 9.470 16.581 90.987 1.00 10.32 C ATOM 113 O ILE A 182 10.062 16.472 92.069 1.00 10.70 O ATOM 114 CB ILE A 182 7.881 14.731 90.252 1.00 9.90 C ATOM 115 CG1 ILE A 182 6.466 14.196 90.481 1.00 9.96 C ATOM 116 CG2 ILE A 182 8.889 13.778 90.877 1.00 10.07 C ATOM 117 CD1 ILE A 182 6.079 13.012 89.619 1.00 10.35 C ATOM 118 H ILE A 182 6.828 16.872 89.203 1.00 0.00 H ATOM 119 N SER A 183 10.037 17.114 89.908 1.00 11.64 N ATOM 120 CA SER A 183 11.410 17.607 89.930 1.00 12.76 C ATOM 121 C SER A 183 11.570 18.778 90.891 1.00 12.07 C ATOM 122 O SER A 183 12.509 18.786 91.695 1.00 12.20 O ATOM 123 CB SER A 183 11.865 18.015 88.521 1.00 14.31 C ATOM 124 OG SER A 183 11.852 16.906 87.640 1.00 20.87 O ATOM 125 HG SER A 183 10.933 16.542 87.584 1.00 0.00 H ATOM 126 H SER A 183 9.488 17.181 89.027 1.00 0.00 H ATOM 127 N ARG A 184 10.643 19.720 90.862 1.00 12.70 N ATOM 128 CA ARG A 184 10.706 20.852 91.779 1.00 13.44 C ATOM 129 C ARG A 184 10.595 20.414 93.235 1.00 13.44 C ATOM 130 O ARG A 184 11.335 20.886 94.091 1.00 13.89 O ATOM 131 CB ARG A 184 9.641 21.874 91.454 1.00 15.28 C ATOM 132 CG ARG A 184 9.988 22.655 90.210 1.00 18.77 C ATOM 133 CD ARG A 184 9.008 23.774 89.976 1.00 22.51 C ATOM 134 NE ARG A 184 9.382 24.482 88.763 1.00 22.40 N ATOM 135 CZ ARG A 184 9.686 25.779 88.672 1.00 21.59 C ATOM 136 NH1 ARG A 184 9.643 26.593 89.721 1.00 20.83 N ATOM 137 NH2 ARG A 184 10.008 26.268 87.485 1.00 21.32 N ATOM 138 HE ARG A 184 9.416 23.927 87.884 1.00 0.00 H ATOM 139 HH12 ARG A 184 9.887 27.598 89.610 1.00 0.00 H ATOM 140 HH11 ARG A 184 9.365 26.225 90.653 1.00 0.00 H ATOM 141 HH22 ARG A 184 10.249 27.275 87.385 1.00 0.00 H ATOM 142 HH21 ARG A 184 10.020 25.646 86.652 1.00 0.00 H ATOM 143 H ARG A 184 9.862 19.653 90.179 1.00 0.00 H ATOM 144 N TYR A 185 9.685 19.491 93.525 1.00 12.53 N ATOM 145 CA TYR A 185 9.527 19.047 94.901 1.00 12.55 C ATOM 146 C TYR A 185 10.788 18.338 95.385 1.00 12.57 C ATOM 147 O TYR A 185 11.272 18.632 96.472 1.00 12.11 O ATOM 148 CB TYR A 185 8.308 18.127 95.045 1.00 12.05 C ATOM 149 CG TYR A 185 8.044 17.671 96.469 1.00 11.92 C ATOM 150 CD1 TYR A 185 7.793 18.593 97.495 1.00 13.14 C ATOM 151 CD2 TYR A 185 8.033 16.321 96.788 1.00 12.51 C ATOM 152 CE1 TYR A 185 7.556 18.168 98.788 1.00 12.37 C ATOM 153 CE2 TYR A 185 7.780 15.886 98.074 1.00 12.29 C ATOM 154 CZ TYR A 185 7.549 16.805 99.066 1.00 12.75 C ATOM 155 OH TYR A 185 7.314 16.363 100.354 1.00 13.76 O ATOM 156 HH TYR A 185 7.167 17.142 100.947 1.00 0.00 H ATOM 157 H TYR A 185 9.090 19.089 92.773 1.00 0.00 H ATOM 158 N LEU A 186 11.327 17.410 94.594 1.00 12.34 N ATOM 159 CA LEU A 186 12.558 16.707 94.990 1.00 13.03 C ATOM 160 C LEU A 186 13.738 17.664 95.198 1.00 14.38 C ATOM 161 O LEU A 186 14.462 17.542 96.184 1.00 14.00 O ATOM 162 CB LEU A 186 12.914 15.605 94.003 1.00 12.39 C ATOM 163 CG LEU A 186 12.357 14.221 94.344 1.00 12.55 C ATOM 164 CD1 LEU A 186 10.853 14.212 94.578 1.00 12.31 C ATOM 165 CD2 LEU A 186 12.777 13.237 93.276 1.00 13.41 C ATOM 166 H LEU A 186 10.873 17.180 93.687 1.00 0.00 H ATOM 167 N ARG A 187 13.921 18.618 94.288 1.00 14.69 N ATOM 168 CA ARG A 187 15.029 19.577 94.418 1.00 16.90 C ATOM 169 C ARG A 187 14.881 20.487 95.637 1.00 17.09 C ATOM 170 O ARG A 187 15.867 20.772 96.334 1.00 17.69 O ATOM 171 CB ARG A 187 15.154 20.416 93.148 1.00 18.87 C ATOM 172 CG ARG A 187 15.788 19.670 91.995 1.00 23.22 C ATOM 173 CD ARG A 187 16.068 20.586 90.816 1.00 26.75 C ATOM 174 NE ARG A 187 14.943 20.670 89.889 1.00 31.65 N ATOM 175 CZ ARG A 187 14.068 21.676 89.793 1.00 34.39 C ATOM 176 NH1 ARG A 187 14.127 22.759 90.589 1.00 32.96 N ATOM 177 NH2 ARG A 187 13.107 21.590 88.878 1.00 33.32 N ATOM 178 HE ARG A 187 14.809 19.869 89.240 1.00 0.00 H ATOM 179 HH12 ARG A 187 13.427 23.521 90.483 1.00 0.00 H ATOM 180 HH11 ARG A 187 14.872 22.834 91.310 1.00 0.00 H ATOM 181 HH22 ARG A 187 12.412 22.357 88.780 1.00 0.00 H ATOM 182 HH21 ARG A 187 13.050 20.755 88.260 1.00 0.00 H ATOM 183 H ARG A 187 13.274 18.686 93.477 1.00 0.00 H ATOM 184 N GLU A 188 13.659 20.938 95.893 1.00 18.38 N ATOM 185 CA GLU A 188 13.342 21.837 97.008 1.00 19.38 C ATOM 186 C GLU A 188 13.557 21.113 98.333 1.00 18.69 C ATOM 187 O GLU A 188 14.116 21.672 99.286 1.00 18.21 O ATOM 188 CB GLU A 188 11.901 22.302 96.825 1.00 22.43 C ATOM 189 CG GLU A 188 11.254 23.147 97.882 1.00 27.07 C ATOM 190 CD GLU A 188 9.804 23.381 97.503 1.00 28.82 C ATOM 191 OE1 GLU A 188 9.565 24.015 96.454 1.00 26.31 O ATOM 192 OE2 GLU A 188 8.897 22.898 98.216 1.00 30.24 O ATOM 193 H GLU A 188 12.884 20.637 95.269 1.00 0.00 H ATOM 194 N GLN A 189 13.155 19.849 98.375 1.00 16.48 N ATOM 195 CA GLN A 189 13.345 19.016 99.549 1.00 16.53 C ATOM 196 C GLN A 189 14.826 18.815 99.845 1.00 16.69 C ATOM 197 O GLN A 189 15.257 18.913 100.997 1.00 20.18 O ATOM 198 CB GLN A 189 12.621 17.678 99.354 1.00 15.87 C ATOM 199 CG GLN A 189 11.109 17.807 99.477 1.00 16.42 C ATOM 200 CD GLN A 189 10.646 17.739 100.921 1.00 17.21 C ATOM 201 OE1 GLN A 189 10.884 16.737 101.613 1.00 17.70 O ATOM 202 NE2 GLN A 189 10.013 18.809 101.393 1.00 17.41 N ATOM 203 HE22 GLN A 189 9.837 19.625 100.773 1.00 0.00 H ATOM 204 HE21 GLN A 189 9.694 18.830 102.383 1.00 0.00 H ATOM 205 H GLN A 189 12.689 19.442 97.540 1.00 0.00 H ATOM 206 N ALA A 190 15.603 18.566 98.798 1.00 17.69 N ATOM 207 CA ALA A 190 17.035 18.331 98.922 1.00 19.83 C ATOM 208 C ALA A 190 17.785 19.592 99.335 1.00 21.51 C ATOM 209 O ALA A 190 18.640 19.533 100.213 1.00 23.88 O ATOM 210 CB ALA A 190 17.596 17.796 97.615 1.00 21.44 C ATOM 211 H ALA A 190 15.172 18.538 97.852 1.00 0.00 H ATOM 212 N THR A 191 17.473 20.720 98.699 1.00 21.89 N ATOM 213 CA THR A 191 18.253 21.960 98.883 1.00 22.83 C ATOM 214 C THR A 191 17.736 22.860 100.002 1.00 23.70 C ATOM 215 O THR A 191 18.474 23.708 100.519 1.00 24.59 O ATOM 216 CB THR A 191 18.269 22.810 97.600 1.00 24.43 C ATOM 217 OG1 THR A 191 16.945 23.297 97.321 1.00 24.59 O ATOM 218 CG2 THR A 191 18.796 22.010 96.423 1.00 26.02 C ATOM 219 HG1 THR A 191 16.332 22.530 97.198 1.00 0.00 H ATOM 220 H THR A 191 16.657 20.727 98.055 1.00 0.00 H ATOM 221 N GLY A 192 16.467 22.708 100.358 1.00 23.46 N ATOM 222 CA GLY A 192 15.812 23.604 101.313 1.00 22.66 C ATOM 223 C GLY A 192 15.506 24.992 100.764 1.00 23.51 C ATOM 224 O GLY A 192 15.223 25.917 101.526 1.00 26.17 O ATOM 225 H GLY A 192 15.919 21.926 99.945 1.00 0.00 H ATOM 226 N ALA A 193 15.553 25.143 99.442 1.00 24.65 N ATOM 227 CA ALA A 193 15.333 26.436 98.806 1.00 25.39 C ATOM 228 C ALA A 193 14.284 26.313 97.712 1.00 25.19 C ATOM 229 O ALA A 193 14.264 25.331 96.975 1.00 24.59 O ATOM 230 CB ALA A 193 16.639 26.964 98.229 1.00 26.43 C ATOM 231 H ALA A 193 15.752 24.314 98.846 1.00 0.00 H ATOM 232 N LYS A 194 13.423 27.319 97.616 1.00 25.39 N ATOM 233 CA LYS A 194 12.409 27.379 96.568 1.00 26.51 C ATOM 234 C LYS A 194 13.045 27.785 95.231 1.00 25.21 C ATOM 235 O LYS A 194 13.930 28.639 95.191 1.00 26.29 O ATOM 236 CB LYS A 194 11.333 28.385 96.967 1.00 30.45 C ATOM 237 CG LYS A 194 10.086 28.366 96.104 1.00 35.73 C ATOM 238 CD LYS A 194 9.047 29.365 96.599 1.00 39.67 C ATOM 239 CE LYS A 194 8.470 28.959 97.947 1.00 43.65 C ATOM 240 NZ LYS A 194 7.184 29.654 98.239 1.00 49.40 N ATOM 241 HZ1 LYS A 194 7.342 30.682 98.250 1.00 0.00 H ATOM 242 HZ2 LYS A 194 6.488 29.416 97.503 1.00 0.00 H ATOM 243 HZ3 LYS A 194 6.828 29.347 99.167 1.00 0.00 H ATOM 244 H LYS A 194 13.473 28.091 98.311 1.00 0.00 H ATOM 245 N ASP A 195 12.607 27.150 94.149 1.00 23.84 N ATOM 246 CA ASP A 195 12.990 27.553 92.791 1.00 22.73 C ATOM 247 C ASP A 195 12.060 28.679 92.362 1.00 22.87 C ATOM 248 O ASP A 195 10.848 28.499 92.327 1.00 23.82 O ATOM 249 CB ASP A 195 12.855 26.363 91.845 1.00 22.21 C ATOM 250 CG ASP A 195 13.325 26.661 90.433 1.00 23.79 C ATOM 251 OD1 ASP A 195 13.590 27.833 90.096 1.00 23.74 O ATOM 252 OD2 ASP A 195 13.398 25.700 89.642 1.00 24.74 O ATOM 253 H ASP A 195 11.969 26.337 94.269 1.00 0.00 H ATOM 254 N THR A 196 12.636 29.836 92.035 1.00 23.42 N ATOM 255 CA THR A 196 11.858 31.035 91.721 1.00 24.97 C ATOM 256 C THR A 196 11.501 31.174 90.237 1.00 22.40 C ATOM 257 O THR A 196 10.771 32.092 89.850 1.00 23.30 O ATOM 258 CB THR A 196 12.605 32.318 92.161 1.00 27.98 C ATOM 259 OG1 THR A 196 11.927 33.468 91.643 1.00 36.80 O ATOM 260 CG2 THR A 196 14.035 32.318 91.669 1.00 27.11 C ATOM 261 HG1 THR A 196 11.907 33.420 90.654 1.00 0.00 H ATOM 262 H THR A 196 13.674 29.888 92.002 1.00 0.00 H ATOM 263 N LYS A 197 12.018 30.284 89.402 1.00 20.62 N ATOM 264 CA LYS A 197 11.675 30.296 87.991 1.00 20.69 C ATOM 265 C LYS A 197 10.192 30.023 87.807 1.00 19.29 C ATOM 266 O LYS A 197 9.611 29.216 88.533 1.00 17.87 O ATOM 267 CB LYS A 197 12.442 29.217 87.237 1.00 22.70 C ATOM 268 CG LYS A 197 13.914 29.496 87.010 1.00 26.49 C ATOM 269 CD LYS A 197 14.556 28.264 86.399 1.00 29.03 C ATOM 270 CE LYS A 197 16.062 28.371 86.367 1.00 31.62 C ATOM 271 NZ LYS A 197 16.658 27.054 86.022 1.00 35.15 N ATOM 272 HZ1 LYS A 197 16.379 26.351 86.736 1.00 0.00 H ATOM 273 HZ2 LYS A 197 16.316 26.754 85.087 1.00 0.00 H ATOM 274 HZ3 LYS A 197 17.694 27.138 86.003 1.00 0.00 H ATOM 275 H LYS A 197 12.679 29.567 89.763 1.00 0.00 H ATOM 276 N PRO A 198 9.566 30.686 86.832 1.00 17.47 N ATOM 277 CA PRO A 198 8.181 30.380 86.502 1.00 18.66 C ATOM 278 C PRO A 198 7.980 28.923 86.112 1.00 19.13 C ATOM 279 O PRO A 198 8.878 28.282 85.564 1.00 17.93 O ATOM 280 CB PRO A 198 7.895 31.280 85.288 1.00 19.79 C ATOM 281 CG PRO A 198 8.903 32.360 85.357 1.00 19.91 C ATOM 282 CD PRO A 198 10.114 31.763 85.980 1.00 18.78 C ATOM 283 N MET A 199 6.789 28.414 86.392 1.00 20.64 N ATOM 284 CA MET A 199 6.368 27.135 85.861 1.00 23.52 C ATOM 285 C MET A 199 6.172 27.285 84.367 1.00 26.52 C ATOM 286 O MET A 199 6.025 28.400 83.860 1.00 26.79 O ATOM 287 CB MET A 199 5.047 26.712 86.497 1.00 25.42 C ATOM 288 CG MET A 199 5.141 26.464 87.988 1.00 27.79 C ATOM 289 SD MET A 199 6.051 24.951 88.324 1.00 32.65 S ATOM 290 CE MET A 199 5.695 24.795 90.073 1.00 29.73 C ATOM 291 H MET A 199 6.141 28.946 87.008 1.00 0.00 H ATOM 292 N GLY A 200 6.167 26.167 83.659 1.00 28.94 N ATOM 293 CA GLY A 200 5.835 26.175 82.241 1.00 32.48 C ATOM 294 C GLY A 200 4.333 26.269 82.038 1.00 33.80 C ATOM 295 O GLY A 200 3.645 27.091 82.655 1.00 34.53 O ATOM 296 H GLY A 200 6.404 25.267 84.123 1.00 0.00 H ATOM 297 N ARG A 201 3.815 25.409 81.174 1.00 38.22 N ATOM 298 CA ARG A 201 2.389 25.364 80.897 1.00 38.51 C ATOM 299 C ARG A 201 1.615 25.015 82.172 1.00 35.00 C ATOM 300 O ARG A 201 2.156 24.374 83.083 1.00 35.51 O ATOM 301 CB ARG A 201 2.109 24.322 79.806 1.00 44.11 C ATOM 302 CG ARG A 201 1.011 24.696 78.821 1.00 47.95 C ATOM 303 CD ARG A 201 1.479 24.489 77.388 1.00 52.57 C ATOM 304 NE ARG A 201 2.612 25.370 77.079 1.00 56.89 N ATOM 305 CZ ARG A 201 3.865 24.979 76.830 1.00 57.94 C ATOM 306 NH1 ARG A 201 4.788 25.899 76.566 1.00 59.25 N ATOM 307 NH2 ARG A 201 4.215 23.695 76.843 1.00 59.40 N ATOM 308 HE ARG A 201 2.422 26.392 77.051 1.00 0.00 H ATOM 309 HH12 ARG A 201 5.768 25.611 76.370 1.00 0.00 H ATOM 310 HH11 ARG A 201 4.530 26.906 76.555 1.00 0.00 H ATOM 311 HH22 ARG A 201 5.199 23.422 76.645 1.00 0.00 H ATOM 312 HH21 ARG A 201 3.505 22.964 77.051 1.00 0.00 H ATOM 313 H ARG A 201 4.447 24.747 80.680 1.00 0.00 H ATOM 314 N SER A 202 0.360 25.454 82.228 1.00 30.44 N ATOM 315 CA SER A 202 -0.541 25.162 83.354 1.00 28.66 C ATOM 316 C SER A 202 0.096 25.529 84.690 1.00 25.39 C ATOM 317 O SER A 202 0.018 24.774 85.660 1.00 21.95 O ATOM 318 CB SER A 202 -0.937 23.681 83.358 1.00 29.47 C ATOM 319 OG SER A 202 -1.369 23.259 82.079 1.00 34.13 O ATOM 320 HG SER A 202 -1.617 22.301 82.115 1.00 0.00 H ATOM 321 H SER A 202 -0.000 26.030 81.440 1.00 0.00 H ATOM 322 N GLY A 203 0.714 26.704 84.733 1.00 23.34 N ATOM 323 CA GLY A 203 1.490 27.124 85.885 1.00 23.18 C ATOM 324 C GLY A 203 0.706 27.236 87.176 1.00 22.58 C ATOM 325 O GLY A 203 1.227 26.920 88.246 1.00 20.85 O ATOM 326 H GLY A 203 0.639 27.343 83.916 1.00 0.00 H ATOM 327 N ALA A 204 -0.536 27.703 87.095 1.00 20.61 N ATOM 328 CA ALA A 204 -1.354 27.891 88.296 1.00 20.74 C ATOM 329 C ALA A 204 -1.626 26.556 88.984 1.00 20.09 C ATOM 330 O ALA A 204 -1.497 26.434 90.203 1.00 20.05 O ATOM 331 CB ALA A 204 -2.662 28.603 87.957 1.00 22.36 C ATOM 332 H ALA A 204 -0.934 27.939 86.163 1.00 0.00 H ATOM 333 N THR A 205 -2.007 25.562 88.197 1.00 18.71 N ATOM 334 CA THR A 205 -2.241 24.218 88.736 1.00 18.27 C ATOM 335 C THR A 205 -0.955 23.588 89.254 1.00 18.33 C ATOM 336 O THR A 205 -0.952 22.997 90.333 1.00 16.31 O ATOM 337 CB THR A 205 -2.886 23.314 87.687 1.00 19.08 C ATOM 338 OG1 THR A 205 -4.198 23.817 87.405 1.00 20.45 O ATOM 339 CG2 THR A 205 -2.976 21.869 88.193 1.00 18.39 C ATOM 340 HG1 THR A 205 -4.737 23.813 88.235 1.00 0.00 H ATOM 341 H THR A 205 -2.143 25.737 87.181 1.00 0.00 H ATOM 342 N SER A 206 0.140 23.746 88.519 1.00 16.93 N ATOM 343 CA SER A 206 1.419 23.177 88.951 1.00 16.12 C ATOM 344 C SER A 206 1.891 23.813 90.257 1.00 16.90 C ATOM 345 O SER A 206 2.403 23.119 91.131 1.00 15.55 O ATOM 346 CB SER A 206 2.491 23.323 87.863 1.00 16.68 C ATOM 347 OG SER A 206 2.084 22.643 86.689 1.00 17.66 O ATOM 348 HG SER A 206 1.233 23.030 86.363 1.00 0.00 H ATOM 349 H SER A 206 0.089 24.279 87.628 1.00 0.00 H ATOM 350 N ARG A 207 1.697 25.122 90.403 1.00 17.45 N ATOM 351 CA ARG A 207 2.046 25.813 91.639 1.00 18.47 C ATOM 352 C ARG A 207 1.236 25.267 92.810 1.00 17.30 C ATOM 353 O ARG A 207 1.781 24.975 93.873 1.00 17.57 O ATOM 354 CB ARG A 207 1.800 27.331 91.512 1.00 20.71 C ATOM 355 CG ARG A 207 2.862 28.090 90.737 1.00 24.49 C ATOM 356 CD ARG A 207 2.743 29.598 90.945 1.00 25.90 C ATOM 357 NE ARG A 207 1.549 30.165 90.314 1.00 28.97 N ATOM 358 CZ ARG A 207 1.413 30.426 89.013 1.00 29.13 C ATOM 359 NH1 ARG A 207 2.387 30.158 88.148 1.00 31.67 N ATOM 360 NH2 ARG A 207 0.275 30.939 88.567 1.00 29.98 N ATOM 361 HE ARG A 207 0.741 30.382 90.931 1.00 0.00 H ATOM 362 HH12 ARG A 207 2.258 30.370 87.138 1.00 0.00 H ATOM 363 HH11 ARG A 207 3.277 29.736 88.482 1.00 0.00 H ATOM 364 HH22 ARG A 207 0.159 31.146 87.554 1.00 0.00 H ATOM 365 HH21 ARG A 207 -0.502 31.135 89.230 1.00 0.00 H ATOM 366 H ARG A 207 1.287 25.665 89.617 1.00 0.00 H ATOM 367 N LYS A 208 -0.066 25.109 92.600 1.00 16.99 N ATOM 368 CA LYS A 208 -0.941 24.556 93.623 1.00 16.52 C ATOM 369 C LYS A 208 -0.606 23.102 93.929 1.00 15.39 C ATOM 370 O LYS A 208 -0.696 22.686 95.076 1.00 15.07 O ATOM 371 CB LYS A 208 -2.402 24.684 93.225 1.00 18.70 C ATOM 372 CG LYS A 208 -2.870 26.129 93.210 1.00 21.84 C ATOM 373 CD LYS A 208 -4.326 26.241 92.814 1.00 25.06 C ATOM 374 CE LYS A 208 -4.801 27.686 92.887 1.00 27.71 C ATOM 375 NZ LYS A 208 -6.248 27.800 92.551 1.00 31.27 N ATOM 376 HZ1 LYS A 208 -6.407 27.448 91.585 1.00 0.00 H ATOM 377 HZ2 LYS A 208 -6.804 27.235 93.224 1.00 0.00 H ATOM 378 HZ3 LYS A 208 -6.539 28.797 92.610 1.00 0.00 H ATOM 379 H LYS A 208 -0.470 25.387 91.683 1.00 0.00 H ATOM 380 N ALA A 209 -0.238 22.339 92.907 1.00 14.11 N ATOM 381 CA ALA A 209 0.156 20.936 93.115 1.00 14.16 C ATOM 382 C ALA A 209 1.415 20.847 93.958 1.00 14.20 C ATOM 383 O ALA A 209 1.503 20.031 94.862 1.00 14.04 O ATOM 384 CB ALA A 209 0.353 20.226 91.781 1.00 13.36 C ATOM 385 H ALA A 209 -0.228 22.738 91.947 1.00 0.00 H ATOM 386 N LEU A 210 2.399 21.691 93.667 1.00 14.79 N ATOM 387 CA LEU A 210 3.617 21.726 94.450 1.00 14.88 C ATOM 388 C LEU A 210 3.347 22.126 95.900 1.00 15.89 C ATOM 389 O LEU A 210 3.916 21.538 96.829 1.00 15.65 O ATOM 390 CB LEU A 210 4.618 22.677 93.802 1.00 15.96 C ATOM 391 CG LEU A 210 5.988 22.791 94.465 1.00 16.70 C ATOM 392 CD1 LEU A 210 6.637 21.422 94.655 1.00 17.42 C ATOM 393 CD2 LEU A 210 6.878 23.694 93.615 1.00 18.37 C ATOM 394 H LEU A 210 2.293 22.339 92.861 1.00 0.00 H ATOM 395 N GLU A 211 2.483 23.124 96.094 1.00 16.38 N ATOM 396 CA GLU A 211 2.076 23.566 97.428 1.00 18.17 C ATOM 397 C GLU A 211 1.390 22.437 98.206 1.00 17.48 C ATOM 398 O GLU A 211 1.619 22.258 99.407 1.00 17.64 O ATOM 399 CB GLU A 211 1.177 24.812 97.334 1.00 21.54 C ATOM 400 CG GLU A 211 1.961 26.056 96.918 1.00 26.98 C ATOM 401 CD GLU A 211 1.119 27.236 96.433 1.00 32.54 C ATOM 402 OE1 GLU A 211 -0.123 27.127 96.325 1.00 35.09 O ATOM 403 OE2 GLU A 211 1.729 28.293 96.141 1.00 34.00 O ATOM 404 H GLU A 211 2.083 23.607 95.264 1.00 0.00 H ATOM 405 N THR A 212 0.590 21.644 97.499 1.00 15.76 N ATOM 406 CA THR A 212 -0.087 20.486 98.082 1.00 15.62 C ATOM 407 C THR A 212 0.924 19.415 98.500 1.00 16.10 C ATOM 408 O THR A 212 0.834 18.886 99.605 1.00 15.61 O ATOM 409 CB THR A 212 -1.114 19.903 97.096 1.00 16.05 C ATOM 410 OG1 THR A 212 -2.068 20.918 96.757 1.00 17.00 O ATOM 411 CG2 THR A 212 -1.840 18.701 97.694 1.00 15.86 C ATOM 412 HG1 THR A 212 -1.600 21.683 96.337 1.00 0.00 H ATOM 413 H THR A 212 0.440 21.856 96.492 1.00 0.00 H ATOM 414 N LEU A 213 1.899 19.113 97.645 1.00 16.07 N ATOM 415 CA LEU A 213 2.966 18.170 98.027 1.00 16.59 C ATOM 416 C LEU A 213 3.766 18.624 99.233 1.00 19.87 C ATOM 417 O LEU A 213 4.162 17.799 100.069 1.00 20.60 O ATOM 418 CB LEU A 213 3.945 17.935 96.879 1.00 16.22 C ATOM 419 CG LEU A 213 3.487 16.991 95.791 1.00 15.22 C ATOM 420 CD1 LEU A 213 4.462 17.005 94.613 1.00 14.49 C ATOM 421 CD2 LEU A 213 3.332 15.576 96.353 1.00 14.15 C ATOM 422 H LEU A 213 1.908 19.546 96.699 1.00 0.00 H ATOM 423 N ARG A 214 4.045 19.916 99.319 1.00 20.85 N ATOM 424 CA ARG A 214 4.752 20.441 100.485 1.00 23.98 C ATOM 425 C ARG A 214 4.015 20.117 101.768 1.00 26.36 C ATOM 426 O ARG A 214 4.630 19.806 102.783 1.00 28.93 O ATOM 427 CB ARG A 214 4.895 21.944 100.404 1.00 24.56 C ATOM 428 CG ARG A 214 5.957 22.418 99.448 1.00 26.59 C ATOM 429 CD ARG A 214 5.928 23.927 99.397 1.00 29.21 C ATOM 430 NE ARG A 214 6.789 24.400 98.329 1.00 26.99 N ATOM 431 CZ ARG A 214 6.544 25.458 97.562 1.00 28.80 C ATOM 432 NH1 ARG A 214 5.445 26.191 97.724 1.00 31.05 N ATOM 433 NH2 ARG A 214 7.410 25.776 96.615 1.00 28.34 N ATOM 434 HE ARG A 214 7.666 23.870 98.150 1.00 0.00 H ATOM 435 HH12 ARG A 214 5.274 27.014 97.112 1.00 0.00 H ATOM 436 HH11 ARG A 214 4.757 25.940 98.462 1.00 0.00 H ATOM 437 HH22 ARG A 214 7.235 26.600 96.006 1.00 0.00 H ATOM 438 HH21 ARG A 214 8.267 25.202 96.479 1.00 0.00 H ATOM 439 H ARG A 214 3.760 20.559 98.553 1.00 0.00 H ATOM 440 N ARG A 215 2.696 20.237 101.724 1.00 25.25 N ATOM 441 CA ARG A 215 1.863 19.984 102.883 1.00 25.76 C ATOM 442 C ARG A 215 1.748 18.480 103.152 1.00 26.24 C ATOM 443 O ARG A 215 2.095 18.000 104.237 1.00 27.58 O ATOM 444 CB ARG A 215 0.489 20.632 102.654 1.00 27.22 C ATOM 445 CG ARG A 215 -0.538 20.427 103.750 1.00 28.80 C ATOM 446 CD ARG A 215 -1.686 21.425 103.602 1.00 30.05 C ATOM 447 NE ARG A 215 -2.241 21.485 102.241 1.00 32.66 N ATOM 448 CZ ARG A 215 -3.171 20.665 101.744 1.00 32.61 C ATOM 449 NH1 ARG A 215 -3.691 19.681 102.474 1.00 33.39 N ATOM 450 NH2 ARG A 215 -3.589 20.838 100.495 1.00 32.78 N ATOM 451 HE ARG A 215 -1.878 22.230 101.612 1.00 0.00 H ATOM 452 HH12 ARG A 215 -4.414 19.056 102.064 1.00 0.00 H ATOM 453 HH11 ARG A 215 -3.374 19.537 103.454 1.00 0.00 H ATOM 454 HH22 ARG A 215 -4.313 20.206 100.097 1.00 0.00 H ATOM 455 HH21 ARG A 215 -3.193 21.605 99.916 1.00 0.00 H ATOM 456 H ARG A 215 2.245 20.521 100.831 1.00 0.00 H ATOM 457 N VAL A 216 1.301 17.726 102.160 1.00 20.74 N ATOM 458 CA VAL A 216 0.952 16.318 102.364 1.00 19.84 C ATOM 459 C VAL A 216 2.158 15.370 102.334 1.00 20.62 C ATOM 460 O VAL A 216 2.200 14.398 103.090 1.00 22.48 O ATOM 461 CB VAL A 216 -0.121 15.861 101.366 1.00 21.19 C ATOM 462 CG1 VAL A 216 -0.439 14.391 101.563 1.00 22.59 C ATOM 463 CG2 VAL A 216 -1.381 16.705 101.544 1.00 21.50 C ATOM 464 H VAL A 216 1.195 18.143 101.213 1.00 0.00 H ATOM 465 N GLY A 217 3.129 15.651 101.470 1.00 18.29 N ATOM 466 CA GLY A 217 4.349 14.850 101.390 1.00 17.69 C ATOM 467 C GLY A 217 5.239 14.920 102.622 1.00 16.53 C ATOM 468 O GLY A 217 5.834 13.920 103.029 1.00 15.86 O ATOM 469 H GLY A 217 3.017 16.465 100.832 1.00 0.00 H ATOM 470 N ASP A 218 5.344 16.097 103.228 1.00 18.54 N ATOM 471 CA ASP A 218 6.176 16.266 104.397 1.00 20.32 C ATOM 472 C ASP A 218 5.624 15.416 105.554 1.00 19.51 C ATOM 473 O ASP A 218 6.375 14.770 106.295 1.00 20.42 O ATOM 474 CB ASP A 218 6.243 17.749 104.788 1.00 23.65 C ATOM 475 CG ASP A 218 6.940 18.638 103.717 1.00 27.22 C ATOM 476 OD1 ASP A 218 6.979 18.315 102.490 1.00 25.45 O ATOM 477 OD2 ASP A 218 7.430 19.720 104.119 1.00 27.30 O ATOM 478 H ASP A 218 4.818 16.912 102.854 1.00 0.00 H ATOM 479 N GLY A 219 4.301 15.407 105.669 1.00 20.17 N ATOM 480 CA GLY A 219 3.611 14.633 106.692 1.00 18.88 C ATOM 481 C GLY A 219 3.823 13.146 106.503 1.00 16.24 C ATOM 482 O GLY A 219 4.047 12.422 107.474 1.00 15.84 O ATOM 483 H GLY A 219 3.737 15.974 105.004 1.00 0.00 H ATOM 484 N VAL A 220 3.758 12.682 105.255 1.00 14.61 N ATOM 485 CA VAL A 220 3.958 11.263 104.957 1.00 13.18 C ATOM 486 C VAL A 220 5.353 10.802 105.402 1.00 11.98 C ATOM 487 O VAL A 220 5.527 9.750 106.021 1.00 11.36 O ATOM 488 CB VAL A 220 3.767 10.955 103.455 1.00 13.96 C ATOM 489 CG1 VAL A 220 4.204 9.543 103.134 1.00 13.67 C ATOM 490 CG2 VAL A 220 2.312 11.172 103.032 1.00 15.76 C ATOM 491 H VAL A 220 3.561 13.343 104.476 1.00 0.00 H ATOM 492 N GLN A 221 6.362 11.612 105.111 1.00 11.40 N ATOM 493 CA GLN A 221 7.736 11.278 105.477 1.00 11.74 C ATOM 494 C GLN A 221 7.938 11.167 106.998 1.00 11.94 C ATOM 495 O GLN A 221 8.747 10.375 107.467 1.00 13.32 O ATOM 496 CB GLN A 221 8.695 12.332 104.920 1.00 12.14 C ATOM 497 CG GLN A 221 8.719 12.400 103.398 1.00 13.31 C ATOM 498 CD GLN A 221 9.707 13.426 102.880 1.00 14.31 C ATOM 499 OE1 GLN A 221 10.902 13.311 103.128 1.00 15.65 O ATOM 500 NE2 GLN A 221 9.205 14.448 102.175 1.00 14.59 N ATOM 501 HE22 GLN A 221 8.183 14.500 101.991 1.00 0.00 H ATOM 502 HE21 GLN A 221 9.837 15.189 101.811 1.00 0.00 H ATOM 503 H GLN A 221 6.171 12.504 104.612 1.00 0.00 H ATOM 504 N ARG A 222 7.207 11.979 107.747 1.00 12.75 N ATOM 505 CA ARG A 222 7.296 11.941 109.200 1.00 13.87 C ATOM 506 C ARG A 222 6.405 10.828 109.768 1.00 12.53 C ATOM 507 O ARG A 222 6.843 10.078 110.664 1.00 12.64 O ATOM 508 CB ARG A 222 6.926 13.298 109.773 1.00 15.51 C ATOM 509 CG ARG A 222 7.907 14.417 109.385 1.00 18.90 C ATOM 510 CD ARG A 222 9.096 14.437 110.327 1.00 23.94 C ATOM 511 NE ARG A 222 9.999 13.313 110.138 1.00 29.86 N ATOM 512 CZ ARG A 222 10.873 12.888 111.048 1.00 32.04 C ATOM 513 NH1 ARG A 222 10.974 13.484 112.238 1.00 34.19 N ATOM 514 NH2 ARG A 222 11.646 11.852 110.764 1.00 33.53 N ATOM 515 HE ARG A 222 9.959 12.807 109.230 1.00 0.00 H ATOM 516 HH12 ARG A 222 11.663 13.138 112.936 1.00 0.00 H ATOM 517 HH11 ARG A 222 10.364 14.295 112.467 1.00 0.00 H ATOM 518 HH22 ARG A 222 12.333 11.509 111.465 1.00 0.00 H ATOM 519 HH21 ARG A 222 11.566 11.381 109.840 1.00 0.00 H ATOM 520 H ARG A 222 6.560 12.653 107.291 1.00 0.00 H ATOM 521 N ASN A 223 5.183 10.697 109.258 1.00 12.00 N ATOM 522 CA ASN A 223 4.293 9.613 109.742 1.00 11.54 C ATOM 523 C ASN A 223 4.874 8.217 109.557 1.00 12.90 C ATOM 524 O ASN A 223 4.583 7.305 110.334 1.00 14.03 O ATOM 525 CB ASN A 223 2.928 9.674 109.065 1.00 11.75 C ATOM 526 CG ASN A 223 2.077 10.818 109.572 1.00 12.45 C ATOM 527 OD1 ASN A 223 2.261 11.291 110.706 1.00 13.45 O ATOM 528 ND2 ASN A 223 1.122 11.273 108.748 1.00 14.32 N ATOM 529 HD22 ASN A 223 1.002 10.848 107.806 1.00 0.00 H ATOM 530 HD21 ASN A 223 0.501 12.051 109.051 1.00 0.00 H ATOM 531 H ASN A 223 4.852 11.353 108.522 1.00 0.00 H ATOM 532 N HIS A 224 5.715 8.058 108.536 1.00 12.34 N ATOM 533 CA HIS A 224 6.360 6.780 108.212 1.00 12.45 C ATOM 534 C HIS A 224 7.859 6.822 108.274 1.00 12.30 C ATOM 535 O HIS A 224 8.551 6.074 107.578 1.00 11.90 O ATOM 536 CB HIS A 224 5.864 6.318 106.850 1.00 12.52 C ATOM 537 CG HIS A 224 4.371 6.193 106.803 1.00 13.49 C ATOM 538 ND1 HIS A 224 3.718 5.215 107.468 1.00 14.02 N ATOM 539 CD2 HIS A 224 3.396 7.010 106.239 1.00 14.77 C ATOM 540 CE1 HIS A 224 2.392 5.366 107.286 1.00 14.62 C ATOM 541 NE2 HIS A 224 2.194 6.467 106.540 1.00 15.72 N ATOM 542 H HIS A 224 5.925 8.882 107.938 1.00 0.00 H ATOM 543 N GLU A 225 8.374 7.649 109.182 1.00 13.48 N ATOM 544 CA GLU A 225 9.806 7.848 109.344 1.00 16.05 C ATOM 545 C GLU A 225 10.597 6.548 109.476 1.00 14.66 C ATOM 546 O GLU A 225 11.569 6.337 108.771 1.00 15.02 O ATOM 547 CB GLU A 225 10.045 8.719 110.580 1.00 19.02 C ATOM 548 CG GLU A 225 11.477 8.702 111.089 1.00 22.15 C ATOM 549 CD GLU A 225 11.623 9.304 112.474 1.00 25.08 C ATOM 550 OE1 GLU A 225 11.193 8.689 113.490 1.00 26.65 O ATOM 551 OE2 GLU A 225 12.189 10.403 112.536 1.00 26.19 O ATOM 552 H GLU A 225 7.725 8.175 109.802 1.00 0.00 H ATOM 553 N THR A 226 10.209 5.689 110.412 1.00 15.13 N ATOM 554 CA THR A 226 10.935 4.446 110.647 1.00 15.47 C ATOM 555 C THR A 226 10.966 3.548 109.416 1.00 14.93 C ATOM 556 O THR A 226 11.998 2.995 109.075 1.00 14.87 O ATOM 557 CB THR A 226 10.285 3.647 111.791 1.00 17.93 C ATOM 558 OG1 THR A 226 10.108 4.522 112.906 1.00 21.44 O ATOM 559 CG2 THR A 226 11.146 2.458 112.199 1.00 18.50 C ATOM 560 HG1 THR A 226 9.523 5.276 112.643 1.00 0.00 H ATOM 561 H THR A 226 9.371 5.907 110.988 1.00 0.00 H ATOM 562 N ALA A 227 9.819 3.414 108.756 1.00 14.02 N ATOM 563 CA ALA A 227 9.721 2.570 107.562 1.00 13.57 C ATOM 564 C ALA A 227 10.511 3.159 106.403 1.00 12.63 C ATOM 565 O ALA A 227 11.187 2.431 105.667 1.00 13.09 O ATOM 566 CB ALA A 227 8.264 2.364 107.167 1.00 12.89 C ATOM 567 H ALA A 227 8.975 3.918 109.094 1.00 0.00 H ATOM 568 N PHE A 228 10.434 4.478 106.258 1.00 12.27 N ATOM 569 CA PHE A 228 11.209 5.184 105.236 1.00 11.72 C ATOM 570 C PHE A 228 12.713 4.972 105.448 1.00 13.03 C ATOM 571 O PHE A 228 13.440 4.632 104.514 1.00 12.07 O ATOM 572 CB PHE A 228 10.855 6.673 105.200 1.00 11.00 C ATOM 573 CG PHE A 228 9.673 7.017 104.308 1.00 10.35 C ATOM 574 CD1 PHE A 228 8.596 6.161 104.158 1.00 10.71 C ATOM 575 CD2 PHE A 228 9.657 8.225 103.622 1.00 10.39 C ATOM 576 CE1 PHE A 228 7.531 6.486 103.329 1.00 11.23 C ATOM 577 CE2 PHE A 228 8.601 8.551 102.790 1.00 10.81 C ATOM 578 CZ PHE A 228 7.533 7.681 102.646 1.00 11.23 C ATOM 579 H PHE A 228 9.808 5.022 106.886 1.00 0.00 H ATOM 580 N GLN A 229 13.167 5.174 106.684 1.00 14.10 N ATOM 581 CA GLN A 229 14.575 4.961 107.023 1.00 15.85 C ATOM 582 C GLN A 229 14.990 3.507 106.729 1.00 15.63 C ATOM 583 O GLN A 229 16.071 3.260 106.172 1.00 15.07 O ATOM 584 CB GLN A 229 14.824 5.341 108.498 1.00 18.73 C ATOM 585 CG GLN A 229 14.830 6.846 108.775 1.00 22.72 C ATOM 586 CD GLN A 229 15.161 7.232 110.226 1.00 28.07 C ATOM 587 OE1 GLN A 229 15.873 6.517 110.942 1.00 32.41 O ATOM 588 NE2 GLN A 229 14.677 8.398 110.646 1.00 26.36 N ATOM 589 HE22 GLN A 229 14.082 8.972 110.015 1.00 0.00 H ATOM 590 HE21 GLN A 229 14.894 8.736 111.605 1.00 0.00 H ATOM 591 H GLN A 229 12.507 5.490 107.423 1.00 0.00 H ATOM 592 N GLY A 230 14.125 2.554 107.077 1.00 14.70 N ATOM 593 CA GLY A 230 14.386 1.132 106.874 1.00 16.18 C ATOM 594 C GLY A 230 14.540 0.758 105.415 1.00 16.47 C ATOM 595 O GLY A 230 15.445 0.017 105.035 1.00 18.67 O ATOM 596 H GLY A 230 13.224 2.836 107.513 1.00 0.00 H ATOM 597 N MET A 231 13.646 1.280 104.581 1.00 15.14 N ATOM 598 CA MET A 231 13.720 1.014 103.147 1.00 15.75 C ATOM 599 C MET A 231 14.945 1.686 102.512 1.00 15.38 C ATOM 600 O MET A 231 15.608 1.087 101.668 1.00 17.35 O ATOM 601 CB MET A 231 12.424 1.479 102.460 1.00 15.97 C ATOM 602 CG MET A 231 12.400 1.274 100.942 1.00 16.68 C ATOM 603 SD MET A 231 12.619 -0.445 100.448 1.00 19.55 S ATOM 604 CE MET A 231 10.954 -1.020 100.762 1.00 20.41 C ATOM 605 H MET A 231 12.886 1.884 104.954 1.00 0.00 H ATOM 606 N LEU A 232 15.256 2.909 102.919 1.00 15.24 N ATOM 607 CA LEU A 232 16.448 3.595 102.414 1.00 16.11 C ATOM 608 C LEU A 232 17.693 2.772 102.712 1.00 18.27 C ATOM 609 O LEU A 232 18.543 2.582 101.841 1.00 19.75 O ATOM 610 CB LEU A 232 16.578 5.003 103.016 1.00 16.70 C ATOM 611 CG LEU A 232 17.722 5.886 102.499 1.00 17.99 C ATOM 612 CD1 LEU A 232 17.551 6.181 101.009 1.00 18.40 C ATOM 613 CD2 LEU A 232 17.803 7.169 103.306 1.00 18.14 C ATOM 614 H LEU A 232 14.643 3.389 103.608 1.00 0.00 H ATOM 615 N ARG A 233 17.785 2.275 103.938 1.00 19.14 N ATOM 616 CA ARG A 233 18.899 1.415 104.341 1.00 21.69 C ATOM 617 C ARG A 233 18.978 0.136 103.499 1.00 22.80 C ATOM 618 O ARG A 233 20.058 -0.224 103.016 1.00 24.78 O ATOM 619 CB ARG A 233 18.790 1.072 105.830 1.00 22.57 C ATOM 620 CG ARG A 233 19.905 0.172 106.323 1.00 25.05 C ATOM 621 CD ARG A 233 19.911 0.060 107.832 1.00 27.83 C ATOM 622 NE ARG A 233 20.962 -0.861 108.260 1.00 29.83 N ATOM 623 CZ ARG A 233 20.824 -2.178 108.411 1.00 33.38 C ATOM 624 NH1 ARG A 233 19.659 -2.788 108.181 1.00 36.44 N ATOM 625 NH2 ARG A 233 21.868 -2.897 108.805 1.00 33.48 N ATOM 626 HE ARG A 233 21.897 -0.454 108.464 1.00 0.00 H ATOM 627 HH12 ARG A 233 19.577 -3.817 108.306 1.00 0.00 H ATOM 628 HH11 ARG A 233 18.833 -2.234 107.877 1.00 0.00 H ATOM 629 HH22 ARG A 233 21.775 -3.926 108.927 1.00 0.00 H ATOM 630 HH21 ARG A 233 22.779 -2.432 108.992 1.00 0.00 H ATOM 631 H ARG A 233 17.045 2.503 104.633 1.00 0.00 H ATOM 632 N LYS A 234 17.844 -0.537 103.312 1.00 22.24 N ATOM 633 CA LYS A 234 17.787 -1.769 102.518 1.00 24.58 C ATOM 634 C LYS A 234 18.217 -1.546 101.066 1.00 23.87 C ATOM 635 O LYS A 234 18.894 -2.398 100.476 1.00 25.05 O ATOM 636 CB LYS A 234 16.379 -2.365 102.548 1.00 27.96 C ATOM 637 CG LYS A 234 16.256 -3.698 101.829 1.00 32.49 C ATOM 638 CD LYS A 234 14.825 -4.205 101.797 1.00 36.52 C ATOM 639 CE LYS A 234 14.717 -5.475 100.960 1.00 38.47 C ATOM 640 NZ LYS A 234 13.346 -6.061 100.980 1.00 40.11 N ATOM 641 HZ1 LYS A 234 13.087 -6.300 101.958 1.00 0.00 H ATOM 642 HZ2 LYS A 234 12.669 -5.369 100.600 1.00 0.00 H ATOM 643 HZ3 LYS A 234 13.329 -6.921 100.396 1.00 0.00 H ATOM 644 H LYS A 234 16.969 -0.177 103.744 1.00 0.00 H ATOM 645 N LEU A 235 17.825 -0.406 100.500 1.00 22.21 N ATOM 646 CA LEU A 235 18.165 -0.063 99.117 1.00 22.28 C ATOM 647 C LEU A 235 19.657 0.256 98.898 1.00 23.84 C ATOM 648 O LEU A 235 20.184 0.033 97.800 1.00 23.60 O ATOM 649 CB LEU A 235 17.302 1.112 98.638 1.00 20.46 C ATOM 650 CG LEU A 235 15.815 0.811 98.456 1.00 19.71 C ATOM 651 CD1 LEU A 235 15.056 2.122 98.304 1.00 18.87 C ATOM 652 CD2 LEU A 235 15.588 -0.112 97.266 1.00 20.57 C ATOM 653 H LEU A 235 17.258 0.263 101.059 1.00 0.00 H ATOM 654 N ASP A 236 20.317 0.814 99.914 1.00 24.72 N ATOM 655 CA ASP A 236 21.764 1.106 99.862 1.00 28.66 C ATOM 656 C ASP A 236 22.159 1.929 98.624 1.00 28.54 C ATOM 657 O ASP A 236 22.933 1.481 97.772 1.00 31.07 O ATOM 658 CB ASP A 236 22.557 -0.208 99.927 1.00 29.78 C ATOM 659 CG ASP A 236 24.045 0.008 100.169 1.00 33.85 C ATOM 660 OD1 ASP A 236 24.441 1.119 100.592 1.00 35.90 O ATOM 661 OD2 ASP A 236 24.820 -0.941 99.922 1.00 37.26 O ATOM 662 H ASP A 236 19.791 1.053 100.779 1.00 0.00 H ATOM 663 N ILE A 237 21.641 3.148 98.545 1.00 27.45 N ATOM 664 CA ILE A 237 21.816 3.985 97.366 1.00 26.27 C ATOM 665 C ILE A 237 23.094 4.812 97.501 1.00 28.28 C ATOM 666 O ILE A 237 23.202 5.676 98.380 1.00 28.56 O ATOM 667 CB ILE A 237 20.600 4.906 97.167 1.00 25.14 C ATOM 668 CG1 ILE A 237 19.316 4.073 97.098 1.00 24.37 C ATOM 669 CG2 ILE A 237 20.758 5.736 95.905 1.00 24.79 C ATOM 670 CD1 ILE A 237 18.055 4.888 97.285 1.00 23.70 C ATOM 671 H ILE A 237 21.094 3.517 99.349 1.00 0.00 H ATOM 672 N LYS A 238 24.063 4.525 96.633 1.00 31.76 N ATOM 673 CA LYS A 238 25.386 5.154 96.697 1.00 32.59 C ATOM 674 C LYS A 238 25.705 6.025 95.484 1.00 34.51 C ATOM 675 O LYS A 238 26.397 7.037 95.613 1.00 36.79 O ATOM 676 CB LYS A 238 26.461 4.074 96.843 1.00 32.83 C ATOM 677 CG LYS A 238 26.299 3.210 98.088 1.00 33.17 C ATOM 678 CD LYS A 238 27.267 2.031 98.121 1.00 33.85 C ATOM 679 CE LYS A 238 27.033 1.030 96.996 1.00 34.44 C ATOM 680 NZ LYS A 238 25.640 0.499 96.956 1.00 35.33 N ATOM 681 HZ1 LYS A 238 25.428 0.017 97.853 1.00 0.00 H ATOM 682 HZ2 LYS A 238 24.974 1.286 96.818 1.00 0.00 H ATOM 683 HZ3 LYS A 238 25.550 -0.175 96.169 1.00 0.00 H ATOM 684 H LYS A 238 23.874 3.830 95.883 1.00 0.00 H ATOM 685 N ASN A 239 25.197 5.649 94.314 1.00 33.79 N ATOM 686 CA ASN A 239 25.658 6.241 93.063 1.00 34.84 C ATOM 687 C ASN A 239 24.592 6.200 91.967 1.00 35.61 C ATOM 688 O ASN A 239 23.461 5.776 92.211 1.00 32.23 O ATOM 689 CB ASN A 239 26.916 5.492 92.612 1.00 36.68 C ATOM 690 CG ASN A 239 26.688 3.995 92.496 1.00 38.20 C ATOM 691 OD1 ASN A 239 25.745 3.550 91.839 1.00 36.85 O ATOM 692 ND2 ASN A 239 27.547 3.212 93.134 1.00 37.63 N ATOM 693 HD22 ASN A 239 28.329 3.631 93.677 1.00 0.00 H ATOM 694 HD21 ASN A 239 27.439 2.178 93.092 1.00 0.00 H ATOM 695 H ASN A 239 24.457 4.919 94.290 1.00 0.00 H ATOM 696 N GLU A 240 24.971 6.653 90.772 1.00 36.27 N ATOM 697 CA GLU A 240 24.122 6.644 89.581 1.00 36.85 C ATOM 698 C GLU A 240 23.501 5.281 89.269 1.00 34.35 C ATOM 699 O GLU A 240 22.319 5.199 88.954 1.00 31.58 O ATOM 700 CB GLU A 240 24.940 7.109 88.369 1.00 41.39 C ATOM 701 CG GLU A 240 24.205 7.035 87.034 1.00 47.38 C ATOM 702 CD GLU A 240 25.042 7.534 85.869 1.00 51.75 C ATOM 703 OE1 GLU A 240 26.275 7.307 85.869 1.00 54.66 O ATOM 704 OE2 GLU A 240 24.460 8.147 84.946 1.00 54.58 O ATOM 705 H GLU A 240 25.933 7.038 90.681 1.00 0.00 H ATOM 706 N ASP A 241 24.302 4.220 89.330 1.00 33.96 N ATOM 707 CA ASP A 241 23.825 2.879 88.980 1.00 33.85 C ATOM 708 C ASP A 241 22.740 2.393 89.939 1.00 31.87 C ATOM 709 O ASP A 241 21.769 1.778 89.503 1.00 29.25 O ATOM 710 CB ASP A 241 24.981 1.868 88.945 1.00 37.44 C ATOM 711 CG ASP A 241 25.917 2.072 87.753 1.00 42.13 C ATOM 712 OD1 ASP A 241 25.480 2.608 86.709 1.00 41.61 O ATOM 713 OD2 ASP A 241 27.101 1.679 87.858 1.00 46.17 O ATOM 714 H ASP A 241 25.289 4.345 89.633 1.00 0.00 H ATOM 715 N ASP A 242 22.915 2.662 91.236 1.00 29.10 N ATOM 716 CA ASP A 242 21.914 2.305 92.242 1.00 27.13 C ATOM 717 C ASP A 242 20.623 3.079 91.996 1.00 23.92 C ATOM 718 O ASP A 242 19.532 2.515 92.107 1.00 23.81 O ATOM 719 CB ASP A 242 22.416 2.600 93.660 1.00 28.72 C ATOM 720 CG ASP A 242 23.616 1.749 94.057 1.00 31.61 C ATOM 721 OD1 ASP A 242 23.697 0.575 93.641 1.00 33.72 O ATOM 722 OD2 ASP A 242 24.462 2.261 94.815 1.00 30.38 O ATOM 723 H ASP A 242 23.788 3.139 91.539 1.00 0.00 H ATOM 724 N VAL A 243 20.742 4.366 91.685 1.00 22.55 N ATOM 725 CA VAL A 243 19.566 5.203 91.417 1.00 21.63 C ATOM 726 C VAL A 243 18.816 4.685 90.189 1.00 22.60 C ATOM 727 O VAL A 243 17.584 4.616 90.191 1.00 22.51 O ATOM 728 CB VAL A 243 19.935 6.693 91.276 1.00 22.24 C ATOM 729 CG1 VAL A 243 18.752 7.504 90.791 1.00 21.98 C ATOM 730 CG2 VAL A 243 20.442 7.233 92.609 1.00 23.27 C ATOM 731 H VAL A 243 21.690 4.790 91.630 1.00 0.00 H ATOM 732 N LYS A 244 19.556 4.258 89.167 1.00 23.50 N ATOM 733 CA LYS A 244 18.943 3.659 87.983 1.00 23.98 C ATOM 734 C LYS A 244 18.152 2.402 88.314 1.00 22.08 C ATOM 735 O LYS A 244 17.101 2.146 87.725 1.00 24.04 O ATOM 736 CB LYS A 244 20.008 3.318 86.938 1.00 27.28 C ATOM 737 CG LYS A 244 20.498 4.513 86.155 1.00 30.63 C ATOM 738 CD LYS A 244 21.494 4.086 85.091 1.00 34.39 C ATOM 739 CE LYS A 244 22.051 5.287 84.347 1.00 37.23 C ATOM 740 NZ LYS A 244 22.731 4.878 83.086 1.00 41.85 N ATOM 741 HZ1 LYS A 244 23.517 4.235 83.310 1.00 0.00 H ATOM 742 HZ2 LYS A 244 22.050 4.393 82.468 1.00 0.00 H ATOM 743 HZ3 LYS A 244 23.100 5.722 82.603 1.00 0.00 H ATOM 744 H LYS A 244 20.591 4.353 89.212 1.00 0.00 H ATOM 745 N SER A 245 18.651 1.628 89.270 1.00 21.85 N ATOM 746 CA SER A 245 18.019 0.370 89.662 1.00 21.99 C ATOM 747 C SER A 245 16.650 0.576 90.341 1.00 19.77 C ATOM 748 O SER A 245 15.893 -0.374 90.485 1.00 20.39 O ATOM 749 CB SER A 245 18.930 -0.417 90.603 1.00 24.59 C ATOM 750 OG SER A 245 18.975 0.184 91.888 1.00 27.88 O ATOM 751 HG SER A 245 19.323 1.107 91.807 1.00 0.00 H ATOM 752 H SER A 245 19.521 1.927 89.756 1.00 0.00 H ATOM 753 N LEU A 246 16.345 1.804 90.756 1.00 17.52 N ATOM 754 CA LEU A 246 15.111 2.051 91.530 1.00 16.57 C ATOM 755 C LEU A 246 13.832 1.938 90.700 1.00 15.98 C ATOM 756 O LEU A 246 12.779 1.643 91.244 1.00 14.18 O ATOM 757 CB LEU A 246 15.168 3.418 92.201 1.00 15.99 C ATOM 758 CG LEU A 246 16.238 3.574 93.277 1.00 15.69 C ATOM 759 CD1 LEU A 246 16.314 5.026 93.729 1.00 16.85 C ATOM 760 CD2 LEU A 246 15.981 2.627 94.434 1.00 16.54 C ATOM 761 H LEU A 246 16.981 2.596 90.533 1.00 0.00 H ATOM 762 N SER A 247 13.906 2.172 89.398 1.00 16.26 N ATOM 763 CA SER A 247 12.719 2.031 88.551 1.00 16.85 C ATOM 764 C SER A 247 12.060 0.658 88.696 1.00 15.08 C ATOM 765 O SER A 247 10.844 0.547 88.848 1.00 13.13 O ATOM 766 CB SER A 247 13.086 2.291 87.093 1.00 19.23 C ATOM 767 OG SER A 247 13.336 3.675 86.940 1.00 25.44 O ATOM 768 HG SER A 247 14.083 3.942 87.532 1.00 0.00 H ATOM 769 H SER A 247 14.812 2.457 88.975 1.00 0.00 H ATOM 770 N ARG A 248 12.857 -0.394 88.660 1.00 15.21 N ATOM 771 CA ARG A 248 12.324 -1.741 88.794 1.00 15.68 C ATOM 772 C ARG A 248 11.601 -1.907 90.130 1.00 13.68 C ATOM 773 O ARG A 248 10.557 -2.538 90.206 1.00 13.40 O ATOM 774 CB ARG A 248 13.440 -2.782 88.652 1.00 19.60 C ATOM 775 CG ARG A 248 12.940 -4.211 88.634 1.00 25.29 C ATOM 776 CD ARG A 248 14.068 -5.234 88.529 1.00 31.08 C ATOM 777 NE ARG A 248 13.510 -6.585 88.581 1.00 37.74 N ATOM 778 CZ ARG A 248 14.203 -7.699 88.812 1.00 43.24 C ATOM 779 NH1 ARG A 248 15.521 -7.661 89.010 1.00 45.81 N ATOM 780 NH2 ARG A 248 13.566 -8.866 88.834 1.00 46.26 N ATOM 781 HE ARG A 248 12.487 -6.684 88.425 1.00 0.00 H ATOM 782 HH12 ARG A 248 16.046 -8.541 89.189 1.00 0.00 H ATOM 783 HH11 ARG A 248 16.025 -6.751 88.985 1.00 0.00 H ATOM 784 HH22 ARG A 248 14.094 -9.744 89.013 1.00 0.00 H ATOM 785 HH21 ARG A 248 12.539 -8.901 88.672 1.00 0.00 H ATOM 786 H ARG A 248 13.880 -0.258 88.534 1.00 0.00 H ATOM 787 N VAL A 249 12.166 -1.331 91.185 1.00 12.61 N ATOM 788 CA VAL A 249 11.584 -1.447 92.523 1.00 12.03 C ATOM 789 C VAL A 249 10.273 -0.662 92.607 1.00 10.86 C ATOM 790 O VAL A 249 9.277 -1.108 93.193 1.00 9.99 O ATOM 791 CB VAL A 249 12.587 -0.981 93.609 1.00 13.42 C ATOM 792 CG1 VAL A 249 12.029 -1.254 94.997 1.00 14.72 C ATOM 793 CG2 VAL A 249 13.932 -1.686 93.424 1.00 14.46 C ATOM 794 H VAL A 249 13.042 -0.785 91.058 1.00 0.00 H ATOM 795 N MET A 250 10.264 0.519 92.007 1.00 10.58 N ATOM 796 CA MET A 250 9.036 1.326 91.973 1.00 10.75 C ATOM 797 C MET A 250 7.910 0.614 91.223 1.00 10.15 C ATOM 798 O MET A 250 6.757 0.639 91.633 1.00 10.35 O ATOM 799 CB MET A 250 9.299 2.684 91.332 1.00 11.30 C ATOM 800 CG MET A 250 10.168 3.610 92.161 1.00 12.33 C ATOM 801 SD MET A 250 10.255 5.250 91.411 1.00 16.59 S ATOM 802 CE MET A 250 11.644 5.068 90.332 1.00 17.65 C ATOM 803 H MET A 250 11.131 0.877 91.557 1.00 0.00 H ATOM 804 N ILE A 251 8.233 -0.001 90.099 1.00 10.82 N ATOM 805 CA ILE A 251 7.229 -0.763 89.358 1.00 11.23 C ATOM 806 C ILE A 251 6.692 -1.924 90.205 1.00 11.31 C ATOM 807 O ILE A 251 5.489 -2.181 90.266 1.00 12.07 O ATOM 808 CB ILE A 251 7.833 -1.269 88.036 1.00 12.54 C ATOM 809 CG1 ILE A 251 8.121 -0.086 87.105 1.00 13.40 C ATOM 810 CG2 ILE A 251 6.918 -2.264 87.370 1.00 12.79 C ATOM 811 CD1 ILE A 251 6.913 0.539 86.464 1.00 16.76 C ATOM 812 H ILE A 251 9.207 0.057 89.739 1.00 0.00 H ATOM 813 N HIS A 252 7.601 -2.609 90.897 1.00 11.16 N ATOM 814 CA HIS A 252 7.238 -3.720 91.752 1.00 11.80 C ATOM 815 C HIS A 252 6.312 -3.304 92.868 1.00 11.05 C ATOM 816 O HIS A 252 5.294 -3.952 93.117 1.00 12.56 O ATOM 817 CB HIS A 252 8.526 -4.343 92.313 1.00 13.87 C ATOM 818 CG HIS A 252 8.320 -5.618 93.082 1.00 17.99 C ATOM 819 ND1 HIS A 252 8.666 -6.821 92.587 1.00 22.45 N ATOM 820 CD2 HIS A 252 7.828 -5.844 94.362 1.00 21.20 C ATOM 821 CE1 HIS A 252 8.380 -7.773 93.504 1.00 21.61 C ATOM 822 NE2 HIS A 252 7.866 -7.173 94.582 1.00 21.96 N ATOM 823 H HIS A 252 8.602 -2.338 90.821 1.00 0.00 H ATOM 824 N VAL A 253 6.664 -2.239 93.580 1.00 9.45 N ATOM 825 CA VAL A 253 5.921 -1.856 94.776 1.00 9.71 C ATOM 826 C VAL A 253 4.741 -0.932 94.480 1.00 9.86 C ATOM 827 O VAL A 253 3.627 -1.190 94.934 1.00 10.57 O ATOM 828 CB VAL A 253 6.854 -1.200 95.799 1.00 9.61 C ATOM 829 CG1 VAL A 253 6.079 -0.668 97.010 1.00 9.72 C ATOM 830 CG2 VAL A 253 7.919 -2.201 96.225 1.00 10.35 C ATOM 831 H VAL A 253 7.481 -1.670 93.280 1.00 0.00 H ATOM 832 N PHE A 254 4.984 0.140 93.738 1.00 9.15 N ATOM 833 CA PHE A 254 3.926 1.100 93.437 1.00 8.91 C ATOM 834 C PHE A 254 2.999 0.640 92.320 1.00 9.29 C ATOM 835 O PHE A 254 1.786 0.606 92.506 1.00 9.75 O ATOM 836 CB PHE A 254 4.505 2.471 93.099 1.00 9.04 C ATOM 837 CG PHE A 254 3.496 3.402 92.522 1.00 8.56 C ATOM 838 CD1 PHE A 254 2.571 3.985 93.353 1.00 8.76 C ATOM 839 CD2 PHE A 254 3.418 3.623 91.159 1.00 9.23 C ATOM 840 CE1 PHE A 254 1.609 4.822 92.840 1.00 9.25 C ATOM 841 CE2 PHE A 254 2.447 4.443 90.643 1.00 8.97 C ATOM 842 CZ PHE A 254 1.555 5.055 91.484 1.00 9.23 C ATOM 843 H PHE A 254 5.942 0.299 93.365 1.00 0.00 H ATOM 844 N SER A 255 3.538 0.293 91.145 1.00 9.03 N ATOM 845 CA SER A 255 2.641 0.037 90.008 1.00 9.29 C ATOM 846 C SER A 255 1.774 -1.200 90.209 1.00 10.65 C ATOM 847 O SER A 255 0.620 -1.224 89.805 1.00 10.48 O ATOM 848 CB SER A 255 3.409 -0.095 88.689 1.00 9.82 C ATOM 849 OG SER A 255 4.178 1.055 88.416 1.00 10.14 O ATOM 850 HG SER A 255 3.581 1.842 88.352 1.00 0.00 H ATOM 851 H SER A 255 4.569 0.206 91.038 1.00 0.00 H ATOM 852 N ASP A 256 2.342 -2.228 90.819 1.00 10.57 N ATOM 853 CA ASP A 256 1.631 -3.480 91.031 1.00 11.58 C ATOM 854 C ASP A 256 0.820 -3.436 92.313 1.00 13.08 C ATOM 855 O ASP A 256 1.079 -4.149 93.280 1.00 14.93 O ATOM 856 CB ASP A 256 2.641 -4.628 91.052 1.00 11.69 C ATOM 857 CG ASP A 256 1.996 -5.993 90.930 1.00 13.07 C ATOM 858 OD1 ASP A 256 0.820 -6.089 90.554 1.00 14.28 O ATOM 859 OD2 ASP A 256 2.696 -6.976 91.233 1.00 14.94 O ATOM 860 H ASP A 256 3.322 -2.139 91.156 1.00 0.00 H ATOM 861 N GLY A 257 -0.182 -2.581 92.301 1.00 14.15 N ATOM 862 CA GLY A 257 -1.088 -2.453 93.423 1.00 14.55 C ATOM 863 C GLY A 257 -2.216 -1.525 93.046 1.00 14.86 C ATOM 864 O GLY A 257 -2.283 -1.028 91.928 1.00 15.46 O ATOM 865 H GLY A 257 -0.326 -1.982 91.463 1.00 0.00 H ATOM 866 N VAL A 258 -3.109 -1.282 93.991 1.00 15.02 N ATOM 867 CA VAL A 258 -4.204 -0.359 93.762 1.00 14.92 C ATOM 868 C VAL A 258 -3.669 1.049 93.571 1.00 13.83 C ATOM 869 O VAL A 258 -2.594 1.378 94.039 1.00 14.31 O ATOM 870 CB VAL A 258 -5.202 -0.354 94.941 1.00 15.99 C ATOM 871 CG1 VAL A 258 -5.774 -1.750 95.176 1.00 20.03 C ATOM 872 CG2 VAL A 258 -4.560 0.208 96.208 1.00 17.84 C ATOM 873 H VAL A 258 -3.025 -1.759 94.911 1.00 0.00 H ATOM 874 N THR A 259 -4.392 1.866 92.831 1.00 12.24 N ATOM 875 CA THR A 259 -4.007 3.236 92.630 1.00 11.81 C ATOM 876 C THR A 259 -4.967 4.152 93.379 1.00 11.00 C ATOM 877 O THR A 259 -6.188 4.066 93.232 1.00 11.36 O ATOM 878 CB THR A 259 -3.993 3.594 91.134 1.00 12.61 C ATOM 879 OG1 THR A 259 -3.239 2.610 90.423 1.00 15.88 O ATOM 880 CG2 THR A 259 -3.355 4.960 90.907 1.00 12.96 C ATOM 881 HG1 THR A 259 -3.657 1.721 90.549 1.00 0.00 H ATOM 882 H THR A 259 -5.261 1.511 92.383 1.00 0.00 H ATOM 883 N ASN A 260 -4.394 5.012 94.211 1.00 10.09 N ATOM 884 CA ASN A 260 -5.134 6.086 94.832 1.00 9.71 C ATOM 885 C ASN A 260 -4.155 7.220 95.079 1.00 9.13 C ATOM 886 O ASN A 260 -2.944 7.033 94.959 1.00 8.82 O ATOM 887 CB ASN A 260 -5.871 5.635 96.096 1.00 9.85 C ATOM 888 CG ASN A 260 -4.957 5.003 97.135 1.00 10.08 C ATOM 889 OD1 ASN A 260 -3.989 5.626 97.577 1.00 9.86 O ATOM 890 ND2 ASN A 260 -5.297 3.794 97.569 1.00 10.79 N ATOM 891 HD22 ASN A 260 -6.123 3.309 97.164 1.00 0.00 H ATOM 892 HD21 ASN A 260 -4.737 3.332 98.314 1.00 0.00 H ATOM 893 H ASN A 260 -3.381 4.910 94.423 1.00 0.00 H ATOM 894 N TRP A 261 -4.656 8.408 95.370 1.00 9.16 N ATOM 895 CA TRP A 261 -3.766 9.550 95.549 1.00 9.02 C ATOM 896 C TRP A 261 -2.774 9.364 96.686 1.00 8.68 C ATOM 897 O TRP A 261 -1.631 9.843 96.611 1.00 8.98 O ATOM 898 CB TRP A 261 -4.538 10.860 95.730 1.00 9.59 C ATOM 899 CG TRP A 261 -5.143 11.403 94.457 1.00 10.33 C ATOM 900 CD1 TRP A 261 -6.485 11.661 94.200 1.00 11.46 C ATOM 901 CD2 TRP A 261 -4.434 11.808 93.225 1.00 10.33 C ATOM 902 NE1 TRP A 261 -6.653 12.170 92.943 1.00 11.33 N ATOM 903 CE2 TRP A 261 -5.461 12.275 92.300 1.00 10.97 C ATOM 904 CE3 TRP A 261 -3.105 11.816 92.816 1.00 10.74 C ATOM 905 CZ2 TRP A 261 -5.141 12.730 91.032 1.00 10.64 C ATOM 906 CZ3 TRP A 261 -2.797 12.274 91.530 1.00 10.49 C ATOM 907 CH2 TRP A 261 -3.799 12.728 90.665 1.00 10.47 C ATOM 908 HE1 TRP A 261 -7.570 12.441 92.534 1.00 0.00 H ATOM 909 H TRP A 261 -5.684 8.529 95.471 1.00 0.00 H ATOM 910 N GLY A 262 -3.184 8.665 97.739 1.00 8.50 N ATOM 911 CA GLY A 262 -2.287 8.405 98.865 1.00 8.38 C ATOM 912 C GLY A 262 -1.041 7.648 98.438 1.00 8.54 C ATOM 913 O GLY A 262 0.051 7.963 98.888 1.00 8.81 O ATOM 914 H GLY A 262 -4.157 8.297 97.763 1.00 0.00 H ATOM 915 N ARG A 263 -1.223 6.647 97.592 1.00 8.09 N ATOM 916 CA ARG A 263 -0.080 5.834 97.130 1.00 8.13 C ATOM 917 C ARG A 263 0.817 6.645 96.196 1.00 8.20 C ATOM 918 O ARG A 263 2.039 6.477 96.226 1.00 7.83 O ATOM 919 CB ARG A 263 -0.559 4.533 96.480 1.00 8.64 C ATOM 920 CG ARG A 263 -1.301 3.634 97.445 1.00 9.03 C ATOM 921 CD ARG A 263 -1.393 2.187 96.996 1.00 10.16 C ATOM 922 NE ARG A 263 -0.093 1.541 97.103 1.00 10.73 N ATOM 923 CZ ARG A 263 0.580 0.958 96.120 1.00 12.10 C ATOM 924 NH1 ARG A 263 1.773 0.448 96.382 1.00 12.08 N ATOM 925 NH2 ARG A 263 0.086 0.883 94.893 1.00 12.32 N ATOM 926 HE ARG A 263 0.352 1.536 98.043 1.00 0.00 H ATOM 927 HH12 ARG A 263 2.318 -0.014 95.626 1.00 0.00 H ATOM 928 HH11 ARG A 263 2.165 0.509 97.343 1.00 0.00 H ATOM 929 HH22 ARG A 263 0.634 0.421 94.139 1.00 0.00 H ATOM 930 HH21 ARG A 263 -0.849 1.287 94.683 1.00 0.00 H ATOM 931 H ARG A 263 -2.181 6.431 97.249 1.00 0.00 H ATOM 932 N ILE A 264 0.221 7.532 95.405 1.00 8.34 N ATOM 933 CA ILE A 264 0.972 8.440 94.547 1.00 8.15 C ATOM 934 C ILE A 264 1.801 9.434 95.375 1.00 8.05 C ATOM 935 O ILE A 264 2.984 9.665 95.100 1.00 8.14 O ATOM 936 CB ILE A 264 0.025 9.142 93.554 1.00 8.29 C ATOM 937 CG1 ILE A 264 -0.496 8.089 92.567 1.00 8.87 C ATOM 938 CG2 ILE A 264 0.734 10.299 92.850 1.00 8.82 C ATOM 939 CD1 ILE A 264 -1.678 8.556 91.743 1.00 9.24 C ATOM 940 H ILE A 264 -0.818 7.580 95.398 1.00 0.00 H ATOM 941 N VAL A 265 1.187 10.025 96.394 1.00 8.41 N ATOM 942 CA VAL A 265 1.910 10.878 97.321 1.00 8.88 C ATOM 943 C VAL A 265 3.070 10.120 97.985 1.00 8.94 C ATOM 944 O VAL A 265 4.155 10.672 98.150 1.00 9.79 O ATOM 945 CB VAL A 265 0.985 11.508 98.386 1.00 9.18 C ATOM 946 CG1 VAL A 265 1.779 12.230 99.482 1.00 9.36 C ATOM 947 CG2 VAL A 265 0.044 12.494 97.717 1.00 9.65 C ATOM 948 H VAL A 265 0.167 9.874 96.531 1.00 0.00 H ATOM 949 N THR A 266 2.878 8.850 98.335 1.00 8.49 N ATOM 950 CA THR A 266 3.935 8.079 98.985 1.00 8.55 C ATOM 951 C THR A 266 5.097 7.808 98.023 1.00 8.15 C ATOM 952 O THR A 266 6.257 7.927 98.379 1.00 8.79 O ATOM 953 CB THR A 266 3.417 6.766 99.568 1.00 9.36 C ATOM 954 OG1 THR A 266 2.365 7.076 100.501 1.00 11.55 O ATOM 955 CG2 THR A 266 4.555 6.005 100.255 1.00 9.53 C ATOM 956 HG1 THR A 266 1.636 7.552 100.029 1.00 0.00 H ATOM 957 H THR A 266 1.961 8.399 98.143 1.00 0.00 H ATOM 958 N LEU A 267 4.767 7.486 96.783 1.00 7.83 N ATOM 959 CA LEU A 267 5.764 7.321 95.726 1.00 7.70 C ATOM 960 C LEU A 267 6.634 8.569 95.647 1.00 7.91 C ATOM 961 O LEU A 267 7.863 8.493 95.707 1.00 8.88 O ATOM 962 CB LEU A 267 5.052 7.074 94.382 1.00 7.44 C ATOM 963 CG LEU A 267 5.914 7.086 93.123 1.00 7.27 C ATOM 964 CD1 LEU A 267 6.737 5.807 93.033 1.00 8.10 C ATOM 965 CD2 LEU A 267 5.067 7.244 91.863 1.00 8.00 C ATOM 966 H LEU A 267 3.763 7.345 96.552 1.00 0.00 H ATOM 967 N ILE A 268 6.001 9.725 95.544 1.00 8.15 N ATOM 968 CA ILE A 268 6.749 10.960 95.399 1.00 8.90 C ATOM 969 C ILE A 268 7.467 11.352 96.696 1.00 9.25 C ATOM 970 O ILE A 268 8.595 11.844 96.648 1.00 9.19 O ATOM 971 CB ILE A 268 5.814 12.097 94.930 1.00 9.22 C ATOM 972 CG1 ILE A 268 5.247 11.751 93.548 1.00 9.19 C ATOM 973 CG2 ILE A 268 6.523 13.463 94.971 1.00 10.31 C ATOM 974 CD1 ILE A 268 4.062 12.595 93.118 1.00 9.84 C ATOM 975 H ILE A 268 4.962 9.749 95.567 1.00 0.00 H ATOM 976 N SER A 269 6.826 11.142 97.841 1.00 9.06 N ATOM 977 CA SER A 269 7.424 11.484 99.150 1.00 10.13 C ATOM 978 C SER A 269 8.634 10.636 99.478 1.00 9.54 C ATOM 979 O SER A 269 9.620 11.144 100.013 1.00 9.41 O ATOM 980 CB SER A 269 6.402 11.349 100.266 1.00 11.27 C ATOM 981 OG SER A 269 5.333 12.231 100.024 1.00 15.35 O ATOM 982 HG SER A 269 4.911 12.006 99.157 1.00 0.00 H ATOM 983 H SER A 269 5.874 10.724 97.816 1.00 0.00 H ATOM 984 N PHE A 270 8.577 9.342 99.176 1.00 9.39 N ATOM 985 CA PHE A 270 9.772 8.528 99.332 1.00 9.37 C ATOM 986 C PHE A 270 10.842 8.969 98.337 1.00 10.00 C ATOM 987 O PHE A 270 12.023 8.990 98.654 1.00 10.46 O ATOM 988 CB PHE A 270 9.510 7.024 99.248 1.00 9.39 C ATOM 989 CG PHE A 270 10.714 6.214 99.638 1.00 9.71 C ATOM 990 CD1 PHE A 270 11.106 6.153 100.966 1.00 10.45 C ATOM 991 CD2 PHE A 270 11.495 5.579 98.694 1.00 10.19 C ATOM 992 CE1 PHE A 270 12.223 5.444 101.349 1.00 10.24 C ATOM 993 CE2 PHE A 270 12.611 4.862 99.057 1.00 10.66 C ATOM 994 CZ PHE A 270 12.987 4.786 100.397 1.00 10.92 C ATOM 995 H PHE A 270 7.691 8.919 98.833 1.00 0.00 H ATOM 996 N GLY A 271 10.444 9.393 97.147 1.00 9.92 N ATOM 997 CA GLY A 271 11.383 10.022 96.243 1.00 9.59 C ATOM 998 C GLY A 271 12.113 11.213 96.847 1.00 9.98 C ATOM 999 O GLY A 271 13.341 11.346 96.676 1.00 10.32 O ATOM 1000 H GLY A 271 9.451 9.273 96.861 1.00 0.00 H ATOM 1001 N ALA A 272 11.375 12.097 97.505 1.00 10.24 N ATOM 1002 CA ALA A 272 11.983 13.251 98.182 1.00 10.56 C ATOM 1003 C ALA A 272 12.931 12.784 99.283 1.00 10.54 C ATOM 1004 O ALA A 272 13.992 13.379 99.488 1.00 11.81 O ATOM 1005 CB ALA A 272 10.925 14.198 98.742 1.00 10.56 C ATOM 1006 H ALA A 272 10.343 11.971 97.543 1.00 0.00 H ATOM 1007 N PHE A 273 12.546 11.727 99.990 1.00 10.51 N ATOM 1008 CA PHE A 273 13.389 11.151 101.048 1.00 11.08 C ATOM 1009 C PHE A 273 14.694 10.631 100.465 1.00 11.32 C ATOM 1010 O PHE A 273 15.777 10.856 101.040 1.00 11.97 O ATOM 1011 CB PHE A 273 12.598 10.047 101.757 1.00 11.85 C ATOM 1012 CG PHE A 273 13.164 9.628 103.092 1.00 13.04 C ATOM 1013 CD1 PHE A 273 12.864 10.346 104.238 1.00 14.75 C ATOM 1014 CD2 PHE A 273 13.924 8.474 103.195 1.00 13.18 C ATOM 1015 CE1 PHE A 273 13.365 9.935 105.474 1.00 14.90 C ATOM 1016 CE2 PHE A 273 14.439 8.066 104.427 1.00 14.07 C ATOM 1017 CZ PHE A 273 14.142 8.803 105.558 1.00 14.13 C ATOM 1018 H PHE A 273 11.622 11.295 99.789 1.00 0.00 H ATOM 1019 N VAL A 274 14.629 9.978 99.309 1.00 11.35 N ATOM 1020 CA VAL A 274 15.845 9.548 98.607 1.00 12.02 C ATOM 1021 C VAL A 274 16.648 10.756 98.104 1.00 12.85 C ATOM 1022 O VAL A 274 17.881 10.779 98.208 1.00 13.35 O ATOM 1023 CB VAL A 274 15.517 8.572 97.457 1.00 12.51 C ATOM 1024 CG1 VAL A 274 16.790 8.211 96.680 1.00 12.73 C ATOM 1025 CG2 VAL A 274 14.851 7.319 98.000 1.00 12.91 C ATOM 1026 H VAL A 274 13.699 9.768 98.894 1.00 0.00 H ATOM 1027 N ALA A 275 15.981 11.780 97.581 1.00 13.17 N ATOM 1028 CA ALA A 275 16.681 12.986 97.093 1.00 13.59 C ATOM 1029 C ALA A 275 17.479 13.645 98.209 1.00 15.60 C ATOM 1030 O ALA A 275 18.619 14.074 97.994 1.00 15.41 O ATOM 1031 CB ALA A 275 15.702 13.998 96.492 1.00 13.70 C ATOM 1032 H ALA A 275 14.944 11.731 97.514 1.00 0.00 H ATOM 1033 N LYS A 276 16.891 13.734 99.394 1.00 14.44 N ATOM 1034 CA LYS A 276 17.597 14.306 100.544 1.00 15.75 C ATOM 1035 C LYS A 276 18.827 13.469 100.876 1.00 16.30 C ATOM 1036 O LYS A 276 19.892 14.025 101.167 1.00 16.34 O ATOM 1037 CB LYS A 276 16.670 14.427 101.744 1.00 15.94 C ATOM 1038 CG LYS A 276 15.671 15.558 101.592 1.00 16.40 C ATOM 1039 CD LYS A 276 14.817 15.752 102.823 1.00 18.74 C ATOM 1040 CE LYS A 276 13.745 14.688 102.904 1.00 20.25 C ATOM 1041 NZ LYS A 276 12.817 15.004 104.020 1.00 23.41 N ATOM 1042 HZ1 LYS A 276 13.348 15.031 104.914 1.00 0.00 H ATOM 1043 HZ2 LYS A 276 12.375 15.930 103.850 1.00 0.00 H ATOM 1044 HZ3 LYS A 276 12.080 14.272 104.075 1.00 0.00 H ATOM 1045 H LYS A 276 15.915 13.393 99.509 1.00 0.00 H ATOM 1046 N HIS A 277 18.700 12.150 100.796 1.00 15.79 N ATOM 1047 CA HIS A 277 19.842 11.246 100.991 1.00 17.46 C ATOM 1048 C HIS A 277 20.925 11.512 99.971 1.00 18.87 C ATOM 1049 O HIS A 277 22.110 11.598 100.315 1.00 18.94 O ATOM 1050 CB HIS A 277 19.371 9.798 100.969 1.00 17.89 C ATOM 1051 CG HIS A 277 20.484 8.787 100.892 1.00 21.23 C ATOM 1052 ND1 HIS A 277 21.249 8.476 101.953 1.00 23.99 N ATOM 1053 CD2 HIS A 277 20.953 8.021 99.825 1.00 23.79 C ATOM 1054 CE1 HIS A 277 22.155 7.544 101.588 1.00 23.60 C ATOM 1055 NE2 HIS A 277 21.975 7.273 100.284 1.00 25.64 N ATOM 1056 H HIS A 277 17.765 11.745 100.589 1.00 0.00 H ATOM 1057 N LEU A 278 20.537 11.693 98.711 1.00 17.85 N ATOM 1058 CA LEU A 278 21.508 11.992 97.653 1.00 19.12 C ATOM 1059 C LEU A 278 22.290 13.287 97.913 1.00 20.37 C ATOM 1060 O LEU A 278 23.492 13.363 97.624 1.00 21.67 O ATOM 1061 CB LEU A 278 20.812 12.030 96.288 1.00 18.45 C ATOM 1062 CG LEU A 278 20.281 10.675 95.805 1.00 17.58 C ATOM 1063 CD1 LEU A 278 19.453 10.849 94.535 1.00 17.63 C ATOM 1064 CD2 LEU A 278 21.398 9.667 95.565 1.00 18.39 C ATOM 1065 H LEU A 278 19.527 11.621 98.472 1.00 0.00 H ATOM 1066 N LYS A 279 21.621 14.298 98.444 1.00 21.98 N ATOM 1067 CA LYS A 279 22.276 15.550 98.837 1.00 24.10 C ATOM 1068 C LYS A 279 23.304 15.284 99.938 1.00 23.09 C ATOM 1069 O LYS A 279 24.429 15.795 99.875 1.00 24.52 O ATOM 1070 CB LYS A 279 21.236 16.565 99.328 1.00 27.25 C ATOM 1071 CG LYS A 279 21.797 17.874 99.887 1.00 29.86 C ATOM 1072 CD LYS A 279 22.410 18.716 98.786 1.00 33.78 C ATOM 1073 CE LYS A 279 22.764 20.118 99.260 1.00 35.60 C ATOM 1074 NZ LYS A 279 22.714 21.088 98.128 1.00 36.87 N ATOM 1075 HZ1 LYS A 279 23.394 20.799 97.396 1.00 0.00 H ATOM 1076 HZ2 LYS A 279 21.755 21.101 97.727 1.00 0.00 H ATOM 1077 HZ3 LYS A 279 22.959 22.037 98.475 1.00 0.00 H ATOM 1078 H LYS A 279 20.596 14.201 98.588 1.00 0.00 H ATOM 1079 N THR A 280 22.930 14.470 100.922 1.00 23.45 N ATOM 1080 CA THR A 280 23.785 14.233 102.095 1.00 23.51 C ATOM 1081 C THR A 280 25.050 13.471 101.738 1.00 25.75 C ATOM 1082 O THR A 280 26.079 13.654 102.392 1.00 25.86 O ATOM 1083 CB THR A 280 23.069 13.465 103.225 1.00 25.34 C ATOM 1084 OG1 THR A 280 22.878 12.098 102.848 1.00 30.88 O ATOM 1085 CG2 THR A 280 21.747 14.121 103.567 1.00 23.88 C ATOM 1086 HG1 THR A 280 22.326 12.057 102.027 1.00 0.00 H ATOM 1087 H THR A 280 22.010 13.989 100.860 1.00 0.00 H ATOM 1088 N ILE A 281 24.973 12.620 100.718 1.00 23.83 N ATOM 1089 CA ILE A 281 26.151 11.911 100.201 1.00 24.77 C ATOM 1090 C ILE A 281 26.771 12.609 98.972 1.00 25.15 C ATOM 1091 O ILE A 281 27.539 12.000 98.229 1.00 26.68 O ATOM 1092 CB ILE A 281 25.843 10.422 99.914 1.00 23.62 C ATOM 1093 CG1 ILE A 281 24.887 10.239 98.722 1.00 22.50 C ATOM 1094 CG2 ILE A 281 25.250 9.739 101.138 1.00 24.54 C ATOM 1095 CD1 ILE A 281 24.701 8.790 98.343 1.00 22.28 C ATOM 1096 H ILE A 281 24.049 12.451 100.272 1.00 0.00 H ATOM 1097 N ASN A 282 26.455 13.889 98.777 1.00 28.17 N ATOM 1098 CA ASN A 282 27.036 14.700 97.698 1.00 30.03 C ATOM 1099 C ASN A 282 26.883 14.091 96.305 1.00 31.32 C ATOM 1100 O ASN A 282 27.794 14.173 95.476 1.00 30.21 O ATOM 1101 CB ASN A 282 28.509 14.977 98.012 1.00 32.99 C ATOM 1102 CG ASN A 282 28.711 15.377 99.459 1.00 36.38 C ATOM 1103 OD1 ASN A 282 28.161 16.382 99.907 1.00 40.10 O ATOM 1104 ND2 ASN A 282 29.461 14.570 100.208 1.00 38.86 N ATOM 1105 HD22 ASN A 282 29.906 13.731 99.784 1.00 0.00 H ATOM 1106 HD21 ASN A 282 29.602 14.779 101.217 1.00 0.00 H ATOM 1107 H ASN A 282 25.766 14.334 99.417 1.00 0.00 H ATOM 1108 N GLN A 283 25.722 13.479 96.064 1.00 28.77 N ATOM 1109 CA GLN A 283 25.366 12.939 94.754 1.00 29.64 C ATOM 1110 C GLN A 283 24.143 13.682 94.227 1.00 26.54 C ATOM 1111 O GLN A 283 23.221 13.067 93.679 1.00 26.73 O ATOM 1112 CB GLN A 283 25.070 11.441 94.841 1.00 29.82 C ATOM 1113 CG GLN A 283 26.244 10.578 95.273 1.00 33.10 C ATOM 1114 CD GLN A 283 27.198 10.278 94.136 1.00 37.04 C ATOM 1115 OE1 GLN A 283 26.811 9.691 93.126 1.00 39.08 O ATOM 1116 NE2 GLN A 283 28.457 10.665 94.303 1.00 38.70 N ATOM 1117 HE22 GLN A 283 28.738 11.159 95.174 1.00 0.00 H ATOM 1118 HE21 GLN A 283 29.162 10.475 93.563 1.00 0.00 H ATOM 1119 H GLN A 283 25.040 13.382 96.843 1.00 0.00 H ATOM 1120 N GLU A 284 24.151 15.005 94.387 1.00 27.49 N ATOM 1121 CA GLU A 284 23.049 15.866 93.960 1.00 29.34 C ATOM 1122 C GLU A 284 22.716 15.722 92.486 1.00 27.13 C ATOM 1123 O GLU A 284 21.576 15.959 92.097 1.00 24.99 O ATOM 1124 CB GLU A 284 23.375 17.338 94.209 1.00 33.85 C ATOM 1125 CG GLU A 284 23.312 17.792 95.651 1.00 39.60 C ATOM 1126 CD GLU A 284 23.557 19.283 95.779 1.00 44.84 C ATOM 1127 OE1 GLU A 284 24.469 19.680 96.540 1.00 50.17 O ATOM 1128 OE2 GLU A 284 22.840 20.062 95.112 1.00 48.88 O ATOM 1129 H GLU A 284 24.979 15.445 94.836 1.00 0.00 H ATOM 1130 N SER A 285 23.705 15.361 91.663 1.00 23.97 N ATOM 1131 CA SER A 285 23.489 15.234 90.225 1.00 24.12 C ATOM 1132 C SER A 285 22.487 14.138 89.896 1.00 21.55 C ATOM 1133 O SER A 285 21.888 14.174 88.830 1.00 21.74 O ATOM 1134 CB SER A 285 24.808 14.959 89.480 1.00 24.91 C ATOM 1135 OG SER A 285 25.425 13.779 89.949 1.00 29.64 O ATOM 1136 HG SER A 285 25.621 13.872 90.915 1.00 0.00 H ATOM 1137 H SER A 285 24.648 15.166 92.055 1.00 0.00 H ATOM 1138 N CYS A 286 22.307 13.170 90.794 1.00 20.00 N ATOM 1139 CA CYS A 286 21.360 12.073 90.556 1.00 18.53 C ATOM 1140 C CYS A 286 19.905 12.428 90.860 1.00 16.91 C ATOM 1141 O CYS A 286 19.037 11.620 90.576 1.00 16.97 O ATOM 1142 CB CYS A 286 21.728 10.847 91.385 1.00 18.95 C ATOM 1143 SG CYS A 286 23.289 10.090 90.913 1.00 20.38 S ATOM 1144 H CYS A 286 22.848 13.192 91.682 1.00 0.00 H ATOM 1145 N ILE A 287 19.636 13.611 91.400 1.00 16.74 N ATOM 1146 CA ILE A 287 18.271 13.970 91.793 1.00 16.90 C ATOM 1147 C ILE A 287 17.381 14.137 90.563 1.00 17.70 C ATOM 1148 O ILE A 287 16.229 13.689 90.546 1.00 16.36 O ATOM 1149 CB ILE A 287 18.260 15.225 92.683 1.00 18.00 C ATOM 1150 CG1 ILE A 287 18.940 14.875 94.013 1.00 18.83 C ATOM 1151 CG2 ILE A 287 16.834 15.726 92.896 1.00 17.53 C ATOM 1152 CD1 ILE A 287 19.098 16.043 94.967 1.00 20.09 C ATOM 1153 H ILE A 287 20.407 14.294 91.546 1.00 0.00 H ATOM 1154 N GLU A 288 17.892 14.777 89.518 1.00 18.81 N ATOM 1155 CA GLU A 288 17.051 14.956 88.342 1.00 19.22 C ATOM 1156 C GLU A 288 16.752 13.632 87.614 1.00 17.79 C ATOM 1157 O GLU A 288 15.617 13.421 87.206 1.00 14.44 O ATOM 1158 CB GLU A 288 17.611 16.052 87.427 1.00 24.33 C ATOM 1159 CG GLU A 288 17.482 17.420 88.095 1.00 29.44 C ATOM 1160 CD GLU A 288 17.720 18.593 87.169 1.00 35.56 C ATOM 1161 OE1 GLU A 288 17.242 18.553 86.015 1.00 44.41 O ATOM 1162 OE2 GLU A 288 18.359 19.574 87.611 1.00 43.55 O ATOM 1163 H GLU A 288 18.866 15.141 89.538 1.00 0.00 H ATOM 1164 N PRO A 289 17.743 12.740 87.463 1.00 16.38 N ATOM 1165 CA PRO A 289 17.431 11.424 86.909 1.00 16.44 C ATOM 1166 C PRO A 289 16.418 10.663 87.771 1.00 15.54 C ATOM 1167 O PRO A 289 15.540 9.978 87.240 1.00 15.26 O ATOM 1168 CB PRO A 289 18.789 10.710 86.883 1.00 18.77 C ATOM 1169 CG PRO A 289 19.784 11.800 86.850 1.00 18.70 C ATOM 1170 CD PRO A 289 19.192 13.039 87.423 1.00 18.19 C ATOM 1171 N LEU A 290 16.542 10.789 89.088 1.00 14.33 N ATOM 1172 CA LEU A 290 15.594 10.172 90.010 1.00 14.17 C ATOM 1173 C LEU A 290 14.183 10.714 89.736 1.00 13.48 C ATOM 1174 O LEU A 290 13.212 9.915 89.641 1.00 12.63 O ATOM 1175 CB LEU A 290 16.012 10.431 91.466 1.00 15.13 C ATOM 1176 CG LEU A 290 15.026 10.028 92.569 1.00 16.32 C ATOM 1177 CD1 LEU A 290 14.958 8.523 92.676 1.00 17.81 C ATOM 1178 CD2 LEU A 290 15.439 10.684 93.878 1.00 17.43 C ATOM 1179 H LEU A 290 17.335 11.342 89.472 1.00 0.00 H ATOM 1180 N ALA A 291 14.057 12.039 89.609 1.00 13.41 N ATOM 1181 CA ALA A 291 12.754 12.644 89.352 1.00 12.84 C ATOM 1182 C ALA A 291 12.159 12.145 88.039 1.00 12.95 C ATOM 1183 O ALA A 291 10.959 11.889 87.946 1.00 12.63 O ATOM 1184 CB ALA A 291 12.848 14.155 89.345 1.00 13.14 C ATOM 1185 H ALA A 291 14.897 12.646 89.694 1.00 0.00 H ATOM 1186 N GLU A 292 12.992 12.031 87.018 1.00 12.93 N ATOM 1187 CA GLU A 292 12.551 11.482 85.736 1.00 14.48 C ATOM 1188 C GLU A 292 12.043 10.043 85.871 1.00 12.91 C ATOM 1189 O GLU A 292 11.053 9.672 85.262 1.00 11.82 O ATOM 1190 CB GLU A 292 13.710 11.530 84.737 1.00 18.99 C ATOM 1191 CG GLU A 292 13.352 11.145 83.318 1.00 23.57 C ATOM 1192 CD GLU A 292 14.473 11.474 82.337 1.00 29.35 C ATOM 1193 OE1 GLU A 292 15.660 11.406 82.730 1.00 35.05 O ATOM 1194 OE2 GLU A 292 14.164 11.798 81.172 1.00 35.61 O ATOM 1195 H GLU A 292 13.980 12.338 87.129 1.00 0.00 H ATOM 1196 N SER A 293 12.748 9.230 86.653 1.00 12.59 N ATOM 1197 CA SER A 293 12.380 7.837 86.849 1.00 12.68 C ATOM 1198 C SER A 293 11.025 7.715 87.542 1.00 11.31 C ATOM 1199 O SER A 293 10.186 6.908 87.157 1.00 11.31 O ATOM 1200 CB SER A 293 13.447 7.099 87.669 1.00 15.64 C ATOM 1201 OG SER A 293 14.632 6.985 86.903 1.00 21.52 O ATOM 1202 HG SER A 293 15.321 6.509 87.431 1.00 0.00 H ATOM 1203 H SER A 293 13.589 9.602 87.139 1.00 0.00 H ATOM 1204 N ILE A 294 10.804 8.527 88.563 1.00 10.34 N ATOM 1205 CA ILE A 294 9.549 8.513 89.273 1.00 9.54 C ATOM 1206 C ILE A 294 8.406 8.947 88.345 1.00 9.14 C ATOM 1207 O ILE A 294 7.350 8.322 88.305 1.00 8.59 O ATOM 1208 CB ILE A 294 9.606 9.456 90.483 1.00 9.92 C ATOM 1209 CG1 ILE A 294 10.589 8.925 91.523 1.00 9.76 C ATOM 1210 CG2 ILE A 294 8.218 9.600 91.109 1.00 9.38 C ATOM 1211 CD1 ILE A 294 10.941 9.957 92.566 1.00 11.32 C ATOM 1212 H ILE A 294 11.550 9.188 88.859 1.00 0.00 H ATOM 1213 N THR A 295 8.643 10.006 87.586 1.00 8.99 N ATOM 1214 CA THR A 295 7.657 10.496 86.628 1.00 9.18 C ATOM 1215 C THR A 295 7.322 9.434 85.588 1.00 9.84 C ATOM 1216 O THR A 295 6.144 9.243 85.245 1.00 9.73 O ATOM 1217 CB THR A 295 8.138 11.786 85.940 1.00 9.25 C ATOM 1218 OG1 THR A 295 8.483 12.765 86.933 1.00 9.69 O ATOM 1219 CG2 THR A 295 7.045 12.353 85.052 1.00 9.87 C ATOM 1220 HG1 THR A 295 9.207 12.410 87.508 1.00 0.00 H ATOM 1221 H THR A 295 9.554 10.500 87.675 1.00 0.00 H ATOM 1222 N ASP A 296 8.353 8.759 85.072 1.00 10.35 N ATOM 1223 CA ASP A 296 8.139 7.683 84.102 1.00 11.64 C ATOM 1224 C ASP A 296 7.240 6.607 84.675 1.00 10.92 C ATOM 1225 O ASP A 296 6.272 6.174 84.051 1.00 11.19 O ATOM 1226 CB ASP A 296 9.462 7.048 83.674 1.00 13.68 C ATOM 1227 CG ASP A 296 10.249 7.906 82.712 1.00 16.71 C ATOM 1228 OD1 ASP A 296 9.686 8.843 82.101 1.00 18.43 O ATOM 1229 OD2 ASP A 296 11.456 7.625 82.573 1.00 21.58 O ATOM 1230 H ASP A 296 9.322 9.001 85.363 1.00 0.00 H ATOM 1231 N VAL A 297 7.539 6.171 85.886 1.00 10.09 N ATOM 1232 CA VAL A 297 6.737 5.134 86.499 1.00 10.48 C ATOM 1233 C VAL A 297 5.286 5.614 86.685 1.00 10.52 C ATOM 1234 O VAL A 297 4.345 4.914 86.326 1.00 10.55 O ATOM 1235 CB VAL A 297 7.359 4.651 87.816 1.00 10.72 C ATOM 1236 CG1 VAL A 297 6.368 3.788 88.598 1.00 12.78 C ATOM 1237 CG2 VAL A 297 8.649 3.880 87.533 1.00 11.68 C ATOM 1238 H VAL A 297 8.350 6.573 86.398 1.00 0.00 H ATOM 1239 N LEU A 298 5.099 6.811 87.225 1.00 9.24 N ATOM 1240 CA LEU A 298 3.769 7.324 87.509 1.00 8.82 C ATOM 1241 C LEU A 298 2.957 7.506 86.236 1.00 9.03 C ATOM 1242 O LEU A 298 1.872 6.963 86.095 1.00 9.27 O ATOM 1243 CB LEU A 298 3.869 8.654 88.257 1.00 8.93 C ATOM 1244 CG LEU A 298 2.543 9.340 88.539 1.00 8.98 C ATOM 1245 CD1 LEU A 298 1.641 8.469 89.399 1.00 9.20 C ATOM 1246 CD2 LEU A 298 2.818 10.655 89.246 1.00 10.07 C ATOM 1247 H LEU A 298 5.927 7.399 87.451 1.00 0.00 H ATOM 1248 N VAL A 299 3.486 8.278 85.305 1.00 8.63 N ATOM 1249 CA VAL A 299 2.712 8.641 84.125 1.00 9.07 C ATOM 1250 C VAL A 299 2.588 7.463 83.161 1.00 9.77 C ATOM 1251 O VAL A 299 1.513 7.231 82.608 1.00 10.18 O ATOM 1252 CB VAL A 299 3.292 9.881 83.418 1.00 9.35 C ATOM 1253 CG1 VAL A 299 2.512 10.166 82.141 1.00 10.41 C ATOM 1254 CG2 VAL A 299 3.255 11.086 84.354 1.00 10.03 C ATOM 1255 H VAL A 299 4.459 8.629 85.414 1.00 0.00 H ATOM 1256 N ARG A 300 3.657 6.707 82.961 1.00 10.37 N ATOM 1257 CA ARG A 300 3.633 5.679 81.934 1.00 11.55 C ATOM 1258 C ARG A 300 2.923 4.418 82.397 1.00 10.88 C ATOM 1259 O ARG A 300 2.471 3.659 81.556 1.00 12.82 O ATOM 1260 CB ARG A 300 5.034 5.445 81.328 1.00 14.14 C ATOM 1261 CG ARG A 300 5.606 6.783 80.835 1.00 17.86 C ATOM 1262 CD ARG A 300 6.816 6.693 79.930 1.00 21.91 C ATOM 1263 NE ARG A 300 7.411 8.001 79.647 1.00 25.35 N ATOM 1264 CZ ARG A 300 6.920 8.914 78.800 1.00 27.69 C ATOM 1265 NH1 ARG A 300 5.782 8.714 78.142 1.00 28.57 N ATOM 1266 NH2 ARG A 300 7.575 10.057 78.633 1.00 28.23 N ATOM 1267 HE ARG A 300 8.291 8.241 80.147 1.00 0.00 H ATOM 1268 HH12 ARG A 300 5.424 9.441 77.490 1.00 0.00 H ATOM 1269 HH11 ARG A 300 5.250 7.831 78.279 1.00 0.00 H ATOM 1270 HH22 ARG A 300 7.207 10.777 77.979 1.00 0.00 H ATOM 1271 HH21 ARG A 300 8.456 10.233 79.157 1.00 0.00 H ATOM 1272 H ARG A 300 4.511 6.849 83.537 1.00 0.00 H ATOM 1273 N THR A 301 2.758 4.193 83.705 1.00 9.96 N ATOM 1274 CA THR A 301 2.005 3.036 84.172 1.00 9.83 C ATOM 1275 C THR A 301 0.594 3.343 84.675 1.00 10.35 C ATOM 1276 O THR A 301 -0.219 2.434 84.806 1.00 11.71 O ATOM 1277 CB THR A 301 2.761 2.158 85.216 1.00 9.82 C ATOM 1278 OG1 THR A 301 2.815 2.780 86.513 1.00 9.72 O ATOM 1279 CG2 THR A 301 4.176 1.842 84.702 1.00 10.24 C ATOM 1280 HG1 THR A 301 3.286 3.648 86.442 1.00 0.00 H ATOM 1281 H THR A 301 3.172 4.851 84.396 1.00 0.00 H ATOM 1282 N LYS A 302 0.283 4.617 84.942 1.00 9.51 N ATOM 1283 CA LYS A 302 -1.014 5.000 85.493 1.00 9.87 C ATOM 1284 C LYS A 302 -1.711 6.122 84.725 1.00 9.84 C ATOM 1285 O LYS A 302 -2.572 6.792 85.277 1.00 10.05 O ATOM 1286 CB LYS A 302 -0.881 5.409 86.957 1.00 10.58 C ATOM 1287 CG LYS A 302 -0.229 4.379 87.853 1.00 11.16 C ATOM 1288 CD LYS A 302 -1.027 3.088 87.949 1.00 13.14 C ATOM 1289 CE LYS A 302 -0.262 2.039 88.745 1.00 14.41 C ATOM 1290 NZ LYS A 302 -0.911 0.701 88.591 1.00 18.09 N ATOM 1291 HZ1 LYS A 302 -1.889 0.749 88.941 1.00 0.00 H ATOM 1292 HZ2 LYS A 302 -0.914 0.432 87.586 1.00 0.00 H ATOM 1293 HZ3 LYS A 302 -0.380 -0.006 89.139 1.00 0.00 H ATOM 1294 H LYS A 302 0.987 5.358 84.751 1.00 0.00 H ATOM 1295 N ARG A 303 -1.366 6.321 83.454 1.00 10.86 N ATOM 1296 CA ARG A 303 -2.000 7.398 82.682 1.00 11.63 C ATOM 1297 C ARG A 303 -3.523 7.341 82.698 1.00 12.28 C ATOM 1298 O ARG A 303 -4.157 8.371 82.912 1.00 12.69 O ATOM 1299 CB ARG A 303 -1.523 7.449 81.231 1.00 11.94 C ATOM 1300 CG ARG A 303 -2.024 8.707 80.510 1.00 12.04 C ATOM 1301 CD ARG A 303 -1.584 8.758 79.073 1.00 11.99 C ATOM 1302 NE ARG A 303 -0.137 8.743 78.919 1.00 12.18 N ATOM 1303 CZ ARG A 303 0.657 9.810 78.879 1.00 11.84 C ATOM 1304 NH1 ARG A 303 0.178 11.045 79.031 1.00 13.23 N ATOM 1305 NH2 ARG A 303 1.947 9.639 78.701 1.00 11.67 N ATOM 1306 HE ARG A 303 0.319 7.812 78.832 1.00 0.00 H ATOM 1307 HH12 ARG A 303 0.822 11.861 78.995 1.00 0.00 H ATOM 1308 HH11 ARG A 303 -0.840 11.193 79.185 1.00 0.00 H ATOM 1309 HH22 ARG A 303 2.581 10.463 78.667 1.00 0.00 H ATOM 1310 HH21 ARG A 303 2.334 8.680 78.594 1.00 0.00 H ATOM 1311 H ARG A 303 -0.648 5.714 83.008 1.00 0.00 H ATOM 1312 N ASP A 304 -4.105 6.167 82.462 1.00 13.92 N ATOM 1313 CA ASP A 304 -5.561 6.062 82.388 1.00 14.81 C ATOM 1314 C ASP A 304 -6.215 6.539 83.680 1.00 12.54 C ATOM 1315 O ASP A 304 -7.193 7.298 83.675 1.00 12.43 O ATOM 1316 CB ASP A 304 -5.985 4.615 82.098 1.00 18.51 C ATOM 1317 CG ASP A 304 -5.730 4.206 80.674 1.00 25.04 C ATOM 1318 OD1 ASP A 304 -5.392 5.078 79.846 1.00 30.14 O ATOM 1319 OD2 ASP A 304 -5.897 3.005 80.373 1.00 32.66 O ATOM 1320 H ASP A 304 -3.519 5.318 82.329 1.00 0.00 H ATOM 1321 N TRP A 305 -5.670 6.096 84.806 1.00 10.72 N ATOM 1322 CA TRP A 305 -6.198 6.498 86.089 1.00 10.39 C ATOM 1323 C TRP A 305 -6.049 7.997 86.302 1.00 10.45 C ATOM 1324 O TRP A 305 -6.968 8.678 86.761 1.00 10.49 O ATOM 1325 CB TRP A 305 -5.484 5.720 87.205 1.00 10.66 C ATOM 1326 CG TRP A 305 -6.089 5.879 88.567 1.00 10.98 C ATOM 1327 CD1 TRP A 305 -7.027 5.053 89.185 1.00 11.65 C ATOM 1328 CD2 TRP A 305 -5.822 6.948 89.546 1.00 10.50 C ATOM 1329 NE1 TRP A 305 -7.363 5.525 90.422 1.00 12.02 N ATOM 1330 CE2 TRP A 305 -6.671 6.661 90.710 1.00 10.98 C ATOM 1331 CE3 TRP A 305 -5.014 8.073 89.565 1.00 10.87 C ATOM 1332 CZ2 TRP A 305 -6.674 7.474 91.833 1.00 11.22 C ATOM 1333 CZ3 TRP A 305 -5.030 8.886 90.697 1.00 10.78 C ATOM 1334 CH2 TRP A 305 -5.830 8.591 91.803 1.00 11.00 C ATOM 1335 HE1 TRP A 305 -8.054 5.077 91.057 1.00 0.00 H ATOM 1336 H TRP A 305 -4.854 5.453 84.764 1.00 0.00 H ATOM 1337 N LEU A 306 -4.859 8.512 86.014 1.00 10.01 N ATOM 1338 CA LEU A 306 -4.578 9.938 86.199 1.00 9.93 C ATOM 1339 C LEU A 306 -5.555 10.775 85.371 1.00 10.35 C ATOM 1340 O LEU A 306 -6.106 11.748 85.878 1.00 10.82 O ATOM 1341 CB LEU A 306 -3.121 10.254 85.834 1.00 10.01 C ATOM 1342 CG LEU A 306 -2.071 9.703 86.818 1.00 9.49 C ATOM 1343 CD1 LEU A 306 -0.682 9.687 86.186 1.00 10.81 C ATOM 1344 CD2 LEU A 306 -2.085 10.494 88.130 1.00 10.86 C ATOM 1345 H LEU A 306 -4.110 7.889 85.649 1.00 0.00 H ATOM 1346 N VAL A 307 -5.774 10.391 84.116 1.00 10.81 N ATOM 1347 CA VAL A 307 -6.696 11.153 83.248 1.00 11.76 C ATOM 1348 C VAL A 307 -8.124 11.098 83.819 1.00 12.02 C ATOM 1349 O VAL A 307 -8.805 12.121 83.926 1.00 11.82 O ATOM 1350 CB VAL A 307 -6.664 10.616 81.809 1.00 12.07 C ATOM 1351 CG1 VAL A 307 -7.840 11.164 80.992 1.00 13.92 C ATOM 1352 CG2 VAL A 307 -5.327 10.947 81.159 1.00 12.78 C ATOM 1353 H VAL A 307 -5.293 9.548 83.743 1.00 0.00 H ATOM 1354 N LYS A 308 -8.567 9.914 84.217 1.00 12.07 N ATOM 1355 CA LYS A 308 -9.909 9.745 84.811 1.00 13.59 C ATOM 1356 C LYS A 308 -10.086 10.557 86.095 1.00 13.11 C ATOM 1357 O LYS A 308 -11.191 11.005 86.404 1.00 13.81 O ATOM 1358 CB LYS A 308 -10.213 8.265 85.067 1.00 16.31 C ATOM 1359 CG LYS A 308 -11.592 7.983 85.653 1.00 20.66 C ATOM 1360 CD LYS A 308 -12.047 6.540 85.429 1.00 25.38 C ATOM 1361 CE LYS A 308 -13.468 6.307 85.930 1.00 28.29 C ATOM 1362 NZ LYS A 308 -13.843 4.862 85.946 1.00 31.91 N ATOM 1363 HZ1 LYS A 308 -13.777 4.477 84.982 1.00 0.00 H ATOM 1364 HZ2 LYS A 308 -13.194 4.344 86.572 1.00 0.00 H ATOM 1365 HZ3 LYS A 308 -14.818 4.762 86.295 1.00 0.00 H ATOM 1366 H LYS A 308 -7.953 9.081 84.108 1.00 0.00 H ATOM 1367 N GLN A 309 -8.996 10.756 86.839 1.00 12.00 N ATOM 1368 CA GLN A 309 -9.023 11.522 88.073 1.00 12.90 C ATOM 1369 C GLN A 309 -8.681 13.011 87.895 1.00 12.81 C ATOM 1370 O GLN A 309 -8.422 13.703 88.872 1.00 12.82 O ATOM 1371 CB GLN A 309 -8.077 10.868 89.106 1.00 14.85 C ATOM 1372 CG GLN A 309 -8.520 9.491 89.607 1.00 17.11 C ATOM 1373 CD GLN A 309 -9.918 9.424 90.174 1.00 21.50 C ATOM 1374 OE1 GLN A 309 -10.366 10.320 90.907 1.00 26.15 O ATOM 1375 NE2 GLN A 309 -10.625 8.344 89.851 1.00 24.36 N ATOM 1376 HE22 GLN A 309 -10.211 7.617 89.233 1.00 0.00 H ATOM 1377 HE21 GLN A 309 -11.592 8.227 90.216 1.00 0.00 H ATOM 1378 H GLN A 309 -8.093 10.347 86.523 1.00 0.00 H ATOM 1379 N ARG A 310 -8.702 13.479 86.642 1.00 12.14 N ATOM 1380 CA ARG A 310 -8.523 14.896 86.280 1.00 12.15 C ATOM 1381 C ARG A 310 -7.102 15.385 86.497 1.00 11.37 C ATOM 1382 O ARG A 310 -6.847 16.589 86.645 1.00 11.29 O ATOM 1383 CB ARG A 310 -9.549 15.811 86.985 1.00 13.88 C ATOM 1384 CG ARG A 310 -10.988 15.626 86.505 1.00 15.99 C ATOM 1385 CD ARG A 310 -12.006 16.407 87.344 1.00 18.02 C ATOM 1386 NE ARG A 310 -11.612 17.794 87.646 1.00 19.89 N ATOM 1387 CZ ARG A 310 -11.730 18.833 86.818 1.00 22.17 C ATOM 1388 NH1 ARG A 310 -12.219 18.687 85.591 1.00 21.63 N ATOM 1389 NH2 ARG A 310 -11.336 20.037 87.211 1.00 25.17 N ATOM 1390 HE ARG A 310 -11.207 17.979 88.586 1.00 0.00 H ATOM 1391 HH12 ARG A 310 -12.302 19.512 84.963 1.00 0.00 H ATOM 1392 HH11 ARG A 310 -12.519 17.748 85.259 1.00 0.00 H ATOM 1393 HH22 ARG A 310 -11.427 20.849 86.568 1.00 0.00 H ATOM 1394 HH21 ARG A 310 -10.937 20.169 88.162 1.00 0.00 H ATOM 1395 H ARG A 310 -8.855 12.797 85.872 1.00 0.00 H ATOM 1396 N GLY A 311 -6.142 14.464 86.452 1.00 11.25 N ATOM 1397 CA GLY A 311 -4.743 14.862 86.493 1.00 10.87 C ATOM 1398 C GLY A 311 -4.369 15.695 87.708 1.00 10.33 C ATOM 1399 O GLY A 311 -4.907 15.487 88.795 1.00 9.74 O ATOM 1400 H GLY A 311 -6.393 13.457 86.387 1.00 0.00 H ATOM 1401 N TRP A 312 -3.478 16.666 87.526 1.00 9.94 N ATOM 1402 CA TRP A 312 -3.012 17.486 88.634 1.00 9.96 C ATOM 1403 C TRP A 312 -4.066 18.433 89.137 1.00 10.62 C ATOM 1404 O TRP A 312 -4.038 18.797 90.309 1.00 11.37 O ATOM 1405 CB TRP A 312 -1.706 18.199 88.284 1.00 9.94 C ATOM 1406 CG TRP A 312 -0.604 17.204 88.151 1.00 10.52 C ATOM 1407 CD1 TRP A 312 -0.044 16.702 86.990 1.00 10.58 C ATOM 1408 CD2 TRP A 312 0.076 16.512 89.240 1.00 11.08 C ATOM 1409 NE1 TRP A 312 0.918 15.775 87.278 1.00 10.66 N ATOM 1410 CE2 TRP A 312 1.033 15.621 88.617 1.00 11.09 C ATOM 1411 CE3 TRP A 312 -0.028 16.540 90.624 1.00 11.36 C ATOM 1412 CZ2 TRP A 312 1.872 14.809 89.364 1.00 11.77 C ATOM 1413 CZ3 TRP A 312 0.813 15.718 91.368 1.00 12.23 C ATOM 1414 CH2 TRP A 312 1.740 14.874 90.748 1.00 12.40 C ATOM 1415 HE1 TRP A 312 1.481 15.262 86.570 1.00 0.00 H ATOM 1416 H TRP A 312 -3.106 16.843 86.571 1.00 0.00 H ATOM 1417 N ASP A 313 -5.030 18.807 88.301 1.00 11.50 N ATOM 1418 CA ASP A 313 -6.185 19.568 88.807 1.00 13.12 C ATOM 1419 C ASP A 313 -6.967 18.725 89.809 1.00 12.59 C ATOM 1420 O ASP A 313 -7.375 19.238 90.873 1.00 13.36 O ATOM 1421 CB ASP A 313 -7.092 20.011 87.658 1.00 15.08 C ATOM 1422 CG ASP A 313 -6.486 21.147 86.842 1.00 21.19 C ATOM 1423 OD1 ASP A 313 -5.932 22.083 87.440 1.00 27.06 O ATOM 1424 OD2 ASP A 313 -6.575 21.108 85.606 1.00 30.30 O ATOM 1425 H ASP A 313 -4.969 18.563 87.292 1.00 0.00 H ATOM 1426 N GLY A 314 -7.144 17.437 89.497 1.00 11.80 N ATOM 1427 CA GLY A 314 -7.800 16.510 90.405 1.00 10.95 C ATOM 1428 C GLY A 314 -7.040 16.334 91.709 1.00 10.68 C ATOM 1429 O GLY A 314 -7.641 16.245 92.761 1.00 10.93 O ATOM 1430 H GLY A 314 -6.803 17.088 88.579 1.00 0.00 H ATOM 1431 N PHE A 315 -5.731 16.220 91.606 1.00 9.67 N ATOM 1432 CA PHE A 315 -4.861 16.120 92.784 1.00 10.14 C ATOM 1433 C PHE A 315 -5.079 17.301 93.707 1.00 10.76 C ATOM 1434 O PHE A 315 -5.270 17.126 94.917 1.00 10.38 O ATOM 1435 CB PHE A 315 -3.407 16.075 92.319 1.00 10.11 C ATOM 1436 CG PHE A 315 -2.396 16.082 93.420 1.00 10.38 C ATOM 1437 CD1 PHE A 315 -2.099 14.925 94.115 1.00 10.42 C ATOM 1438 CD2 PHE A 315 -1.677 17.222 93.698 1.00 10.05 C ATOM 1439 CE1 PHE A 315 -1.125 14.919 95.091 1.00 10.37 C ATOM 1440 CE2 PHE A 315 -0.698 17.218 94.670 1.00 10.25 C ATOM 1441 CZ PHE A 315 -0.427 16.069 95.376 1.00 10.36 C ATOM 1442 H PHE A 315 -5.301 16.200 90.659 1.00 0.00 H ATOM 1443 N VAL A 316 -5.002 18.502 93.146 1.00 11.45 N ATOM 1444 CA VAL A 316 -5.203 19.709 93.936 1.00 11.74 C ATOM 1445 C VAL A 316 -6.612 19.742 94.556 1.00 12.76 C ATOM 1446 O VAL A 316 -6.757 20.030 95.757 1.00 13.08 O ATOM 1447 CB VAL A 316 -4.942 20.975 93.101 1.00 12.27 C ATOM 1448 CG1 VAL A 316 -5.374 22.208 93.891 1.00 13.72 C ATOM 1449 CG2 VAL A 316 -3.483 21.072 92.678 1.00 12.71 C ATOM 1450 H VAL A 316 -4.796 18.582 92.130 1.00 0.00 H ATOM 1451 N GLU A 317 -7.637 19.407 93.777 1.00 12.81 N ATOM 1452 CA GLU A 317 -9.013 19.352 94.278 1.00 14.65 C ATOM 1453 C GLU A 317 -9.153 18.325 95.415 1.00 14.80 C ATOM 1454 O GLU A 317 -9.830 18.567 96.414 1.00 15.82 O ATOM 1455 CB GLU A 317 -10.016 19.026 93.141 1.00 16.98 C ATOM 1456 CG GLU A 317 -10.189 20.157 92.132 1.00 19.98 C ATOM 1457 CD GLU A 317 -10.701 19.731 90.748 1.00 24.50 C ATOM 1458 OE1 GLU A 317 -10.926 18.527 90.474 1.00 25.72 O ATOM 1459 OE2 GLU A 317 -10.866 20.629 89.889 1.00 27.11 O ATOM 1460 H GLU A 317 -7.456 19.176 92.779 1.00 0.00 H ATOM 1461 N PHE A 318 -8.500 17.179 95.265 1.00 13.16 N ATOM 1462 CA PHE A 318 -8.674 16.078 96.213 1.00 13.47 C ATOM 1463 C PHE A 318 -8.165 16.477 97.592 1.00 13.25 C ATOM 1464 O PHE A 318 -8.793 16.152 98.607 1.00 15.27 O ATOM 1465 CB PHE A 318 -7.912 14.845 95.715 1.00 12.55 C ATOM 1466 CG PHE A 318 -8.086 13.614 96.574 1.00 12.37 C ATOM 1467 CD1 PHE A 318 -9.222 12.841 96.480 1.00 13.23 C ATOM 1468 CD2 PHE A 318 -7.086 13.218 97.453 1.00 12.46 C ATOM 1469 CE1 PHE A 318 -9.376 11.695 97.255 1.00 13.15 C ATOM 1470 CE2 PHE A 318 -7.235 12.088 98.228 1.00 12.34 C ATOM 1471 CZ PHE A 318 -8.379 11.330 98.141 1.00 12.58 C ATOM 1472 H PHE A 318 -7.853 17.062 94.459 1.00 0.00 H ATOM 1473 N PHE A 319 -7.053 17.193 97.637 1.00 13.82 N ATOM 1474 CA PHE A 319 -6.412 17.573 98.899 1.00 14.25 C ATOM 1475 C PHE A 319 -6.754 18.998 99.374 1.00 17.43 C ATOM 1476 O PHE A 319 -6.194 19.490 100.371 1.00 19.59 O ATOM 1477 CB PHE A 319 -4.899 17.431 98.770 1.00 13.41 C ATOM 1478 CG PHE A 319 -4.432 16.011 98.716 1.00 12.65 C ATOM 1479 CD1 PHE A 319 -4.445 15.235 99.865 1.00 13.00 C ATOM 1480 CD2 PHE A 319 -3.931 15.454 97.554 1.00 11.84 C ATOM 1481 CE1 PHE A 319 -3.998 13.930 99.843 1.00 12.66 C ATOM 1482 CE2 PHE A 319 -3.485 14.142 97.525 1.00 11.65 C ATOM 1483 CZ PHE A 319 -3.510 13.379 98.674 1.00 11.93 C ATOM 1484 H PHE A 319 -6.617 17.498 96.743 1.00 0.00 H ATOM 1485 N HIS A 320 -7.651 19.667 98.668 1.00 19.25 N ATOM 1486 CA HIS A 320 -8.045 21.019 99.041 1.00 21.68 C ATOM 1487 C HIS A 320 -8.663 21.048 100.416 1.00 23.42 C ATOM 1488 O HIS A 320 -9.562 20.257 100.712 1.00 24.91 O ATOM 1489 CB HIS A 320 -9.033 21.566 98.019 1.00 23.02 C ATOM 1490 CG HIS A 320 -9.604 22.905 98.397 1.00 24.55 C ATOM 1491 ND1 HIS A 320 -8.898 24.040 98.290 1.00 27.37 N ATOM 1492 CD2 HIS A 320 -10.843 23.254 98.916 1.00 26.37 C ATOM 1493 CE1 HIS A 320 -9.655 25.074 98.709 1.00 27.35 C ATOM 1494 NE2 HIS A 320 -10.844 24.587 99.092 1.00 28.49 N ATOM 1495 H HIS A 320 -8.082 19.220 97.833 1.00 0.00 H ATOM 1496 N VAL A 321 -8.178 21.957 101.257 1.00 26.85 N ATOM 1497 CA VAL A 321 -8.743 22.161 102.591 1.00 31.21 C ATOM 1498 C VAL A 321 -9.525 23.475 102.628 1.00 32.93 C ATOM 1499 O VAL A 321 -9.017 24.516 102.221 1.00 33.73 O ATOM 1500 CB VAL A 321 -7.646 22.180 103.671 1.00 32.83 C ATOM 1501 CG1 VAL A 321 -8.262 22.362 105.051 1.00 33.16 C ATOM 1502 CG2 VAL A 321 -6.827 20.897 103.622 1.00 32.56 C ATOM 1503 H VAL A 321 -7.372 22.541 100.957 1.00 0.00 H ATOM 1504 N GLU A 322 -10.766 23.413 103.104 1.00 37.25 N ATOM 1505 CA GLU A 322 -11.599 24.611 103.242 1.00 43.03 C ATOM 1506 C GLU A 322 -11.111 25.463 104.411 1.00 44.37 C ATOM 1507 O GLU A 322 -10.565 24.946 105.387 1.00 40.18 O ATOM 1508 CB GLU A 322 -13.074 24.241 103.462 1.00 46.20 C ATOM 1509 CG GLU A 322 -13.726 23.462 102.323 1.00 50.26 C ATOM 1510 CD GLU A 322 -13.816 24.239 101.017 1.00 54.62 C ATOM 1511 OE1 GLU A 322 -13.686 25.483 101.032 1.00 60.34 O ATOM 1512 OE2 GLU A 322 -14.022 23.596 99.964 1.00 57.04 O ATOM 1513 H GLU A 322 -11.155 22.490 103.385 1.00 0.00 H ATOM 1514 N ASP A 323 -11.303 26.774 104.300 1.00 48.09 N ATOM 1515 CA ASP A 323 -10.959 27.693 105.383 1.00 50.04 C ATOM 1516 C ASP A 323 -11.888 27.455 106.568 1.00 46.94 C ATOM 1517 O ASP A 323 -13.079 27.200 106.386 1.00 44.11 O ATOM 1518 CB ASP A 323 -11.072 29.146 104.913 1.00 53.88 C ATOM 1519 CG ASP A 323 -10.007 29.517 103.896 1.00 57.83 C ATOM 1520 OD1 ASP A 323 -8.806 29.329 104.194 1.00 61.45 O ATOM 1521 OD2 ASP A 323 -10.371 30.003 102.803 1.00 59.12 O ATOM 1522 H ASP A 323 -11.708 27.155 103.421 1.00 0.00 H ATOM 1523 N LEU A 324 -11.335 27.524 107.776 1.00 47.07 N ATOM 1524 CA LEU A 324 -12.125 27.399 108.998 1.00 46.01 C ATOM 1525 C LEU A 324 -12.868 28.706 109.254 1.00 45.61 C ATOM 1526 O LEU A 324 -12.343 29.781 108.974 1.00 45.66 O ATOM 1527 CB LEU A 324 -11.220 27.099 110.198 1.00 45.56 C ATOM 1528 CG LEU A 324 -10.405 25.807 110.161 1.00 46.44 C ATOM 1529 CD1 LEU A 324 -9.364 25.810 111.271 1.00 48.15 C ATOM 1530 CD2 LEU A 324 -11.321 24.598 110.267 1.00 45.43 C ATOM 1531 H LEU A 324 -10.308 27.672 107.853 1.00 0.00 H ATOM 1532 N GLU A 325 -14.083 28.607 109.790 1.00 48.71 N ATOM 1533 CA GLU A 325 -14.833 29.789 110.225 1.00 52.44 C ATOM 1534 C GLU A 325 -14.199 30.380 111.486 1.00 54.08 C ATOM 1535 O GLU A 325 -13.526 29.673 112.241 1.00 52.23 O ATOM 1536 CB GLU A 325 -16.298 29.434 110.499 1.00 54.47 C ATOM 1537 CG GLU A 325 -17.067 28.954 109.275 1.00 57.97 C ATOM 1538 CD GLU A 325 -18.469 28.464 109.606 1.00 60.94 C ATOM 1539 OE1 GLU A 325 -18.943 28.699 110.739 1.00 62.75 O ATOM 1540 OE2 GLU A 325 -19.102 27.839 108.726 1.00 62.42 O ATOM 1541 H GLU A 325 -14.511 27.666 109.903 1.00 0.00 H ATOM 1542 N GLY A 326 -14.405 31.679 111.697 1.00 58.32 N ATOM 1543 CA GLY A 326 -13.883 32.375 112.877 1.00 59.67 C ATOM 1544 C GLY A 326 -12.425 32.777 112.745 1.00 62.12 C ATOM 1545 O GLY A 326 -11.630 32.077 112.116 1.00 66.07 O ATOM 1546 H GLY A 326 -14.956 32.219 111.000 1.00 0.00 H TER 1547 GLY A 326 HETATM 1548 O HOH 1 16.646 26.041 83.951 1.00 28.11 O HETATM 1549 O HOH 2 1.518 17.253 106.511 1.00 33.63 O HETATM 1550 O HOH 3 5.141 6.683 76.872 1.00 28.08 O HETATM 1551 O HOH 4 14.424 4.738 111.926 1.00 28.51 O HETATM 1552 O HOH 5 11.935 12.659 80.343 1.00 38.64 O HETATM 1553 O HOH 6 10.647 24.934 94.320 1.00 17.51 O HETATM 1554 O HOH 7 6.298 -0.780 106.111 1.00 33.05 O HETATM 1555 O HOH 8 5.264 -1.638 100.557 1.00 39.97 O HETATM 1556 O HOH 9 11.392 4.784 85.598 1.00 25.88 O HETATM 1557 O HOH 10 26.578 14.656 92.123 1.00 36.86 O HETATM 1558 O HOH 11 29.221 10.175 97.388 1.00 36.11 O HETATM 1559 O HOH 12 9.492 21.364 100.268 1.00 24.60 O HETATM 1560 O HOH 13 5.024 30.019 88.175 1.00 36.67 O HETATM 1561 O HOH 14 5.608 11.179 76.315 1.00 26.21 O HETATM 1562 O HOH 15 -9.357 17.622 100.986 1.00 37.48 O HETATM 1563 O HOH 16 -2.905 0.234 86.898 1.00 42.28 O HETATM 1564 O HOH 17 0.083 13.140 107.160 1.00 29.12 O HETATM 1565 O HOH 18 16.306 -1.891 106.681 1.00 37.88 O HETATM 1566 O HOH 19 20.445 4.124 100.724 1.00 32.93 O HETATM 1567 O HOH 20 11.249 11.677 108.110 1.00 25.56 O HETATM 1568 O HOH 21 18.782 18.698 83.813 1.00 27.33 O HETATM 1569 O HOH 22 -0.071 4.497 81.237 1.00 19.52 O HETATM 1570 O HOH 23 2.026 24.274 101.161 1.00 33.84 O HETATM 1571 O HOH 24 10.267 -0.039 105.015 1.00 25.98 O HETATM 1572 O HOH 25 19.984 16.361 102.559 1.00 38.36 O HETATM 1573 O HOH 26 3.158 5.188 111.306 1.00 15.96 O HETATM 1574 O HOH 27 13.203 5.864 83.728 1.00 41.81 O HETATM 1575 O HOH 28 -3.849 0.059 89.618 1.00 39.45 O HETATM 1576 O HOH 29 2.488 -3.512 95.856 1.00 29.87 O HETATM 1577 O HOH 30 15.496 4.787 88.415 1.00 30.29 O HETATM 1578 O HOH 31 18.977 27.308 84.565 1.00 15.22 O HETATM 1579 O HOH 32 -1.675 -5.457 91.533 1.00 26.62 O HETATM 1580 O HOH 33 1.084 5.897 102.635 1.00 26.82 O HETATM 1581 O HOH 34 8.202 -2.325 102.915 1.00 40.56 O HETATM 1582 O HOH 35 8.815 19.276 82.470 1.00 25.26 O HETATM 1583 O HOH 36 28.235 7.490 97.620 1.00 36.55 O HETATM 1584 O HOH 37 -6.186 2.464 77.670 1.00 43.75 O HETATM 1585 O HOH 38 26.671 10.244 90.412 1.00 43.25 O HETATM 1586 O HOH 39 9.685 -4.481 88.426 1.00 21.72 O HETATM 1587 O HOH 40 -4.805 20.994 97.480 1.00 19.62 O HETATM 1588 O HOH 41 21.494 16.021 86.794 1.00 32.23 O HETATM 1589 O HOH 42 14.891 24.041 94.594 1.00 20.25 O HETATM 1590 O HOH 43 12.582 23.256 93.322 1.00 16.55 O HETATM 1591 O HOH 44 -8.922 7.177 81.488 1.00 28.85 O HETATM 1592 O HOH 45 -5.121 7.787 79.174 1.00 47.25 O HETATM 1593 O HOH 46 -3.614 3.577 78.280 1.00 49.35 O HETATM 1594 O HOH 47 -10.299 15.353 92.851 1.00 23.41 O HETATM 1595 O HOH 48 8.371 21.962 102.708 1.00 28.31 O HETATM 1596 O HOH 49 0.111 0.154 83.190 1.00 25.71 O HETATM 1597 O HOH 50 14.984 25.273 104.256 1.00 38.27 O HETATM 1598 O HOH 51 0.108 16.754 75.096 1.00 33.60 O HETATM 1599 O HOH 52 20.336 16.706 89.668 1.00 34.56 O HETATM 1600 O HOH 53 4.937 3.194 109.029 1.00 23.30 O HETATM 1601 O HOH 54 8.958 7.196 114.412 1.00 23.84 O HETATM 1602 O HOH 55 15.966 8.763 84.704 1.00 29.35 O HETATM 1603 O HOH 56 3.265 -1.663 103.047 1.00 49.82 O HETATM 1604 O HOH 57 -11.041 22.339 85.551 1.00 48.94 O HETATM 1605 O HOH 58 16.596 11.225 103.750 1.00 20.18 O HETATM 1606 O HOH 59 -6.783 0.721 91.762 1.00 36.50 O HETATM 1607 O HOH 60 10.056 -6.709 90.083 1.00 37.02 O HETATM 1608 O HOH 61 16.506 -3.167 90.692 1.00 29.91 O HETATM 1609 O HOH 62 9.038 26.290 92.585 1.00 21.91 O HETATM 1610 O HOH 63 4.647 20.745 105.499 1.00 32.40 O HETATM 1611 O HOH 64 -7.521 8.604 95.488 1.00 16.20 O HETATM 1612 O HOH 65 3.046 29.523 84.067 1.00 35.48 O HETATM 1613 O HOH 66 -9.076 13.096 91.613 1.00 21.98 O HETATM 1614 O HOH 67 -2.640 3.779 81.777 1.00 23.58 O HETATM 1615 O HOH 68 18.674 5.836 110.819 1.00 37.73 O HETATM 1616 O HOH 69 15.641 30.310 96.807 1.00 47.73 O HETATM 1617 O HOH 70 3.044 -2.818 98.998 1.00 38.35 O HETATM 1618 O HOH 71 14.347 2.508 110.682 1.00 24.58 O HETATM 1619 O HOH 72 13.876 10.604 108.960 1.00 29.48 O HETATM 1620 O HOH 73 -12.250 20.110 96.077 1.00 48.12 O HETATM 1621 O HOH 74 -6.944 23.902 84.949 1.00 38.83 O HETATM 1622 O HOH 75 -1.313 1.356 100.167 1.00 25.44 O HETATM 1623 O HOH 76 24.370 3.630 102.047 1.00 44.44 O HETATM 1624 O HOH 77 17.485 -1.161 94.009 1.00 43.58 O HETATM 1625 O HOH 78 26.721 0.403 93.171 1.00 39.88 O HETATM 1626 O HOH 79 6.130 8.466 113.012 1.00 12.04 O HETATM 1627 O HOH 80 -0.803 14.415 78.035 1.00 20.40 O HETATM 1628 O HOH 81 -1.848 28.622 84.615 1.00 24.63 O HETATM 1629 O HOH 82 -7.999 2.778 96.932 1.00 22.76 O HETATM 1630 O HOH 83 -12.444 12.973 88.224 1.00 37.40 O HETATM 1631 O HOH 84 26.965 1.396 102.119 1.00 26.96 O HETATM 1632 O HOH 85 -10.631 22.578 107.169 1.00 40.24 O HETATM 1633 O HOH 86 14.211 15.833 86.191 1.00 34.49 O HETATM 1634 O HOH 87 18.129 18.288 102.860 1.00 46.24 O HETATM 1635 O HOH 88 11.940 9.623 116.208 1.00 37.02 O HETATM 1636 O HOH 89 27.562 11.524 103.853 1.00 29.82 O HETATM 1637 O HOH 90 -7.894 22.171 90.718 1.00 35.79 O HETATM 1638 O HOH 91 -3.983 2.288 99.785 1.00 18.59 O HETATM 1639 O HOH 92 -2.482 12.411 79.049 1.00 18.72 O HETATM 1640 O HOH 93 -5.865 23.517 90.069 1.00 36.51 O HETATM 1641 O HOH 94 26.505 16.872 95.251 1.00 35.88 O HETATM 1642 O HOH 95 15.555 -0.399 87.335 1.00 25.61 O HETATM 1643 O HOH 96 3.558 26.308 100.062 1.00 39.09 O HETATM 1644 O HOH 97 -14.096 10.826 87.179 1.00 48.04 O HETATM 1645 O HOH 98 -2.100 -2.388 96.605 1.00 29.54 O HETATM 1646 O HOH 99 7.208 3.953 110.194 1.00 16.28 O HETATM 1647 O HOH 100 -3.259 21.380 84.828 1.00 23.08 O HETATM 1648 O HOH 101 21.462 23.511 100.058 1.00 42.15 O HETATM 1649 O HOH 102 -10.463 5.858 88.113 1.00 38.10 O HETATM 1650 O HOH 103 -4.002 3.510 84.911 1.00 20.24 O HETATM 1651 O HOH 104 6.655 27.405 94.111 1.00 36.29 O HETATM 1652 O HOH 105 7.533 5.997 112.069 1.00 16.59 O HETATM 1653 O HOH 106 10.971 17.795 104.540 1.00 49.62 O HETATM 1654 O HOH 107 18.068 -3.894 105.742 1.00 42.76 O HETATM 1655 O HOH 108 -1.344 29.222 94.358 1.00 40.37 O HETATM 1656 O HOH 109 -9.434 9.894 93.871 1.00 23.46 O HETATM 1657 O HOH 110 9.363 15.724 106.144 1.00 34.23 O HETATM 1658 O HOH 111 -5.792 17.306 102.598 1.00 30.34 O HETATM 1659 O HOH 112 0.181 10.473 105.855 1.00 18.55 O HETATM 1660 O HOH 113 -4.849 1.955 87.731 1.00 41.86 O HETATM 1661 O HOH 114 -0.816 4.239 101.345 1.00 23.04 O HETATM 1662 O HOH 115 27.527 4.802 89.194 1.00 39.70 O HETATM 1663 O HOH 116 27.270 -1.086 102.117 1.00 37.33 O HETATM 1664 O HOH 117 11.362 14.056 106.823 1.00 33.27 O HETATM 1665 O HOH 118 -1.961 32.361 86.591 1.00 47.95 O HETATM 1666 O HOH 119 11.875 -0.986 85.549 1.00 37.21 O HETATM 1667 O HOH 120 -5.573 26.264 89.205 1.00 40.20 O HETATM 1668 O HOH 121 15.271 13.106 105.368 1.00 25.55 O HETATM 1669 O HOH 122 19.154 12.297 104.148 1.00 24.13 O HETATM 1670 O HOH 123 6.735 29.260 90.403 1.00 48.85 O HETATM 1671 O HOH 124 -7.826 7.348 78.914 1.00 42.08 O HETATM 1672 O HOH 125 22.893 12.791 85.781 1.00 42.59 O HETATM 1673 O HOH 126 20.650 10.318 104.889 1.00 43.55 O HETATM 1674 O HOH 127 30.884 12.744 96.355 1.00 36.93 O HETATM 1675 O HOH 128 4.446 -7.894 94.988 1.00 44.65 O HETATM 1676 O HOH 129 18.381 6.971 87.205 1.00 41.88 O HETATM 1677 O HOH 130 17.994 14.211 84.226 1.00 33.13 O HETATM 1678 O HOH 131 -5.410 23.732 97.154 1.00 35.06 O HETATM 1679 O HOH 132 -6.621 2.501 85.058 1.00 48.24 O HETATM 1680 O HOH 133 12.032 -2.102 104.236 1.00 45.07 O HETATM 1681 O HOH 134 12.783 19.053 84.565 1.00 45.29 O HETATM 1682 O HOH 135 -11.920 15.360 95.042 1.00 36.89 O HETATM 1683 O HOH 136 8.365 17.784 107.752 1.00 47.56 O HETATM 1684 O HOH 137 9.655 -0.198 110.206 1.00 40.99 O HETATM 1685 O HOH 138 7.509 1.231 111.199 1.00 36.32 O HETATM 1686 O HOH 139 18.690 15.153 104.870 1.00 44.12 O HETATM 1687 O HOH 140 23.955 8.042 105.069 1.00 49.73 O HETATM 1688 O HOH 141 16.461 25.945 92.799 1.00 47.48 O HETATM 1689 O HOH 142 -10.761 5.183 82.304 1.00 43.71 O HETATM 1690 O HOH 143 7.833 -2.063 100.296 1.00 38.85 O HETATM 1691 O HOH 144 17.881 30.465 88.560 1.00 29.75 O HETATM 1692 O HOH 145 10.306 -3.320 85.844 1.00 25.70 O HETATM 1693 O HOH 146 13.757 0.283 112.209 1.00 32.27 O HETATM 1694 O HOH 147 6.728 24.131 103.425 1.00 37.37 O HETATM 1695 O HOH 148 9.762 18.796 80.082 1.00 37.07 O HETATM 1696 O HOH 149 5.050 0.671 108.029 1.00 31.46 O HETATM 1697 O HOH 150 -4.339 8.793 76.670 1.00 47.22 O HETATM 1698 O HOH 151 26.121 9.596 105.598 1.00 26.67 O HETATM 1699 O HOH 152 -4.614 11.505 77.573 1.00 35.30 O HETATM 1700 C4 Q A 4 9.398 1.486 96.607 1.00 -0.07 C HETATM 1701 C3 Q A 4 10.862 1.488 97.029 1.00 -0.05 C HETATM 1702 C2 Q A 4 11.686 2.244 96.007 1.00 -0.00 C HETATM 1703 C13 Q A 4 11.101 3.616 95.731 1.00 -0.02 C HETATM 1704 C18 Q A 4 11.944 4.575 95.191 1.00 -0.02 C HETATM 1705 C17 Q A 4 11.478 5.850 94.928 1.00 0.06 C HETATM 1706 CL1 Q A 4 12.570 6.990 94.267 1.00 -0.04 CL HETATM 1707 C16 Q A 4 10.167 6.187 95.179 1.00 -0.03 C HETATM 1708 C15 Q A 4 9.326 5.238 95.724 1.00 -0.05 C HETATM 1709 C14 Q A 4 9.772 3.954 95.996 1.00 -0.04 C HETATM 1710 C1 Q A 4 8.798 2.909 96.591 1.00 0.01 C HETATM 1711 C12 Q A 4 8.423 3.287 98.019 1.00 0.01 C HETATM 1712 N1 Q A 4 7.312 2.501 98.559 1.00 -0.31 N HETATM 1713 C9 Q A 4 6.039 2.766 98.287 1.00 0.11 C HETATM 1714 C10 Q A 4 5.686 3.491 97.158 1.00 0.15 C HETATM 1715 O1 Q A 4 6.563 3.922 96.196 1.00 -0.30 O HETATM 1716 C11 Q A 4 7.496 2.873 95.778 1.00 0.06 C HETATM 1717 H12 Q A 4 7.016 1.893 95.918 1.00 0.05 H HETATM 1718 H13 Q A 4 7.737 3.014 94.714 1.00 0.05 H HETATM 1719 C5 Q A 4 4.353 3.819 96.915 1.00 -0.00 C HETATM 1720 C6 Q A 4 3.349 3.415 97.797 1.00 -0.05 C HETATM 1721 C7 Q A 4 3.694 2.697 98.934 1.00 -0.04 C HETATM 1722 C8 Q A 4 5.031 2.378 99.166 1.00 -0.03 C HETATM 1723 H16 Q A 4 5.293 1.813 100.053 1.00 0.07 H HETATM 1724 C23 Q A 4 2.635 2.205 99.935 1.00 0.10 C HETATM 1725 C24 Q A 4 2.850 2.845 101.293 1.00 0.04 C HETATM 1726 C25 Q A 4 1.810 2.374 102.340 1.00 0.17 C HETATM 1727 N2 Q A 4 1.998 2.846 103.575 1.00 -0.28 N HETATM 1728 C26 Q A 4 3.110 3.739 103.915 1.00 0.04 C HETATM 1729 C27 Q A 4 4.093 3.025 104.825 1.00 -0.02 C HETATM 1730 C28 Q A 4 4.894 1.979 104.053 1.00 -0.09 C HETATM 1731 C29 Q A 4 6.273 2.080 103.920 1.00 -0.07 C HETATM 1732 C22 Q A 4 7.009 0.992 103.137 1.00 0.08 C HETATM 1733 C21 Q A 4 8.124 1.515 102.227 1.00 -0.00 C HETATM 1734 C20 Q A 4 7.655 2.419 101.068 1.00 -0.01 C HETATM 1735 C19 Q A 4 7.714 1.652 99.715 1.00 0.03 C HETATM 1736 H17 Q A 4 8.744 1.301 99.553 1.00 0.05 H HETATM 1737 H18 Q A 4 7.036 0.787 99.770 1.00 0.05 H HETATM 1738 C31 Q A 4 8.889 3.299 101.360 1.00 -0.05 C HETATM 1739 C30 Q A 4 8.899 2.711 102.781 1.00 -0.05 C HETATM 1740 H22 Q A 4 8.351 3.306 103.526 1.00 0.03 H HETATM 1741 H23 Q A 4 9.899 2.468 103.169 1.00 0.03 H HETATM 1742 H20 Q A 4 8.700 4.382 101.314 1.00 0.03 H HETATM 1743 H21 Q A 4 9.777 3.056 100.758 1.00 0.03 H HETATM 1744 H19 Q A 4 6.681 2.913 101.198 1.00 0.03 H HETATM 1745 H24 Q A 4 8.758 0.672 101.913 1.00 0.03 H HETATM 1746 O4 Q A 4 7.640 0.104 104.093 1.00 -0.38 O HETATM 1747 H26 Q A 4 6.981 -0.246 104.681 1.00 0.21 H HETATM 1748 H25 Q A 4 6.278 0.440 102.528 1.00 0.07 H HETATM 1749 H27 Q A 4 6.817 2.913 104.362 1.00 0.05 H HETATM 1750 H28 Q A 4 4.374 1.137 103.598 1.00 0.05 H HETATM 1751 H29 Q A 4 4.786 3.763 105.255 1.00 0.04 H HETATM 1752 H30 Q A 4 3.538 2.528 105.634 1.00 0.04 H HETATM 1753 H31 Q A 4 3.625 4.046 102.993 1.00 0.05 H HETATM 1754 H32 Q A 4 2.718 4.629 104.430 1.00 0.05 H HETATM 1755 C32 Q A 4 1.023 2.393 104.580 1.00 0.02 C HETATM 1756 H33 Q A 4 0.283 1.735 104.102 1.00 0.05 H HETATM 1757 H34 Q A 4 0.512 3.265 105.014 1.00 0.05 H HETATM 1758 H35 Q A 4 1.546 1.841 105.375 1.00 0.05 H HETATM 1759 O3 Q A 4 0.899 1.597 102.024 1.00 -0.40 O HETATM 1760 H36 Q A 4 3.856 2.582 101.652 1.00 0.04 H HETATM 1761 H37 Q A 4 2.773 3.937 101.185 1.00 0.04 H HETATM 1762 C33 Q A 4 2.806 0.678 100.052 1.00 0.03 C HETATM 1763 O6 Q A 4 3.548 0.272 100.976 1.00 -0.56 O HETATM 1764 O5 Q A 4 2.232 -0.056 99.217 1.00 -0.56 O HETATM 1765 O2 Q A 4 1.327 2.512 99.474 1.00 -0.43 O HETATM 1766 H38 Q A 4 0.688 2.174 100.090 1.00 0.19 H HETATM 1767 H15 Q A 4 2.312 3.659 97.596 1.00 0.08 H HETATM 1768 H14 Q A 4 4.094 4.393 96.033 1.00 0.06 H HETATM 1769 H10 Q A 4 8.138 4.349 98.034 1.00 0.04 H HETATM 1770 H11 Q A 4 9.302 3.134 98.662 1.00 0.04 H HETATM 1771 H9 Q A 4 8.298 5.502 95.943 1.00 0.08 H HETATM 1772 H8 Q A 4 9.801 7.182 94.952 1.00 0.07 H HETATM 1773 H7 Q A 4 12.976 4.324 94.973 1.00 0.06 H HETATM 1774 H5 Q A 4 11.709 1.669 95.069 1.00 0.05 H HETATM 1775 H6 Q A 4 12.710 2.362 96.390 1.00 0.05 H HETATM 1776 H3 Q A 4 11.225 0.452 97.097 1.00 0.03 H HETATM 1777 H4 Q A 4 10.959 1.976 98.010 1.00 0.03 H HETATM 1778 H1 Q A 4 8.826 0.867 97.314 1.00 0.02 H HETATM 1779 H2 Q A 4 9.320 1.056 95.597 1.00 0.02 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1700 1701 1710 1778 1779 CONECT 1701 1700 1702 1776 1777 CONECT 1702 1701 1703 1774 1775 CONECT 1703 1702 1704 1709 CONECT 1704 1703 1705 1773 CONECT 1705 1704 1706 1707 CONECT 1706 1705 CONECT 1707 1705 1708 1772 CONECT 1708 1707 1709 1771 CONECT 1709 1703 1708 1710 CONECT 1710 1700 1709 1711 1716 CONECT 1711 1710 1712 1769 1770 CONECT 1712 1711 1713 1735 CONECT 1713 1712 1714 1722 CONECT 1714 1713 1715 1719 CONECT 1715 1714 1716 CONECT 1716 1710 1715 1717 1718 CONECT 1717 1716 CONECT 1718 1716 CONECT 1719 1714 1720 1768 CONECT 1720 1719 1721 1767 CONECT 1721 1720 1722 1724 CONECT 1722 1713 1721 1723 CONECT 1723 1722 CONECT 1724 1721 1725 1762 1765 CONECT 1725 1724 1726 1760 1761 CONECT 1726 1725 1727 1759 CONECT 1727 1726 1728 1755 CONECT 1728 1727 1729 1753 1754 CONECT 1729 1728 1730 1751 1752 CONECT 1730 1729 1731 1750 CONECT 1731 1730 1732 1749 CONECT 1732 1731 1733 1746 1748 CONECT 1733 1732 1734 1739 1745 CONECT 1734 1733 1735 1738 1744 CONECT 1735 1712 1734 1736 1737 CONECT 1736 1735 CONECT 1737 1735 CONECT 1738 1734 1739 1742 1743 CONECT 1739 1733 1738 1740 1741 CONECT 1740 1739 CONECT 1741 1739 CONECT 1742 1738 CONECT 1743 1738 CONECT 1744 1734 CONECT 1745 1733 CONECT 1746 1732 1747 CONECT 1747 1746 CONECT 1748 1732 CONECT 1749 1731 CONECT 1750 1730 CONECT 1751 1729 CONECT 1752 1729 CONECT 1753 1728 CONECT 1754 1728 CONECT 1755 1727 1756 1757 1758 CONECT 1756 1755 CONECT 1757 1755 CONECT 1758 1755 CONECT 1759 1726 CONECT 1760 1725 CONECT 1761 1725 CONECT 1762 1724 1763 1764 CONECT 1763 1762 CONECT 1764 1762 CONECT 1765 1724 1766 CONECT 1766 1765 CONECT 1767 1720 CONECT 1768 1719 CONECT 1769 1711 CONECT 1770 1711 CONECT 1771 1708 CONECT 1772 1707 CONECT 1773 1704 CONECT 1774 1702 CONECT 1775 1702 CONECT 1776 1701 CONECT 1777 1701 CONECT 1778 1700 CONECT 1779 1700 MASTER 0 0 0 0 0 0 0 0 1778 1 84 12 END
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Structure:
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Related entries of code: 6udt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3wix
RCSB PDB
PDBbind
161aa, >3WIX_1|Chains... at 90%
3wiy
RCSB PDB
PDBbind
161aa, >3WIY_1|Chains... at 90%
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PDBbind
153aa, >4HW2_1|Chains... at 96%
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RCSB PDB
PDBbind
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4oq6
RCSB PDB
PDBbind
157aa, >4OQ6_1|Chains... at 92%
4wgi
RCSB PDB
PDBbind
518aa, >4WGI_1|Chain... *
4wmu
RCSB PDB
PDBbind
518aa, >4WMU_1|Chain... at 100%
4wmv
RCSB PDB
PDBbind
518aa, >4WMV_1|Chain... at 100%
4wmx
RCSB PDB
PDBbind
518aa, >4WMX_1|Chain... at 100%
4zbf
RCSB PDB
PDBbind
157aa, >4ZBF_1|Chains... at 93%
4zbi
RCSB PDB
PDBbind
157aa, >4ZBI_1|Chains... at 93%
5fdo
RCSB PDB
PDBbind
150aa, >5FDO_1|Chains... at 97%
5fdr
RCSB PDB
PDBbind
158aa, >5FDR_1|Chains... at 92%
5iez
RCSB PDB
PDBbind
159aa, >5IEZ_1|Chains... at 91%
5if4
RCSB PDB
PDBbind
159aa, >5IF4_1|Chains... at 91%
5vkc
RCSB PDB
PDBbind
157aa, >5VKC_1|Chains... at 92%
6b4l
RCSB PDB
PDBbind
157aa, >6B4L_1|Chains... at 92%
6b4u
RCSB PDB
PDBbind
157aa, >6B4U_1|Chain... at 92%
6bw2
RCSB PDB
PDBbind
158aa, >6BW2_1|Chains... at 92%
6bw8
RCSB PDB
PDBbind
158aa, >6BW8_1|Chains... at 92%
6dm8
RCSB PDB
PDBbind
518aa, >6DM8_1|Chains... at 96%
6fs1
RCSB PDB
PDBbind
150aa, >6FS1_1|Chains... at 92%
6qz7
RCSB PDB
PDBbind
518aa, >6QZ7_1|Chain... at 99%
6qyo
RCSB PDB
PDBbind
518aa, >6QYO_1|Chain... at 99%
6qyn
RCSB PDB
PDBbind
518aa, >6QYN_1|Chain... at 99%
6qyl
RCSB PDB
PDBbind
518aa, >6QYL_1|Chain... at 99%
6qyk
RCSB PDB
PDBbind
518aa, >6QYK_1|Chain... at 99%
6qxj
RCSB PDB
PDBbind
518aa, >6QXJ_1|Chain... at 99%
6p3p
RCSB PDB
PDBbind
157aa, >6P3P_1|Chain... at 92%
6oqn
RCSB PDB
PDBbind
157aa, >6OQN_1|Chains... at 92%
6oqd
RCSB PDB
PDBbind
157aa, >6OQD_1|Chain... at 92%
6oqc
RCSB PDB
PDBbind
157aa, >6OQC_1|Chains... at 92%
6oqb
RCSB PDB
PDBbind
157aa, >6OQB_1|Chain... at 92%
6o6g
RCSB PDB
PDBbind
156aa, >6O6G_1|Chain... at 93%
6o6f
RCSB PDB
PDBbind
158aa, >6O6F_1|Chains... at 92%
6ne5
RCSB PDB
PDBbind
159aa, >6NE5_1|Chains... at 91%
6ud2
RCSB PDB
PDBbind
157aa, >6UD2_1|Chain... at 92%
6udi
RCSB PDB
PDBbind
157aa, >6UDI_1|Chain... at 92%
6udu
RCSB PDB
PDBbind
157aa, >6UDU_1|Chain... at 92%
6udv
RCSB PDB
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157aa, >6UDV_1|Chain... at 92%
6udx
RCSB PDB
PDBbind
157aa, >6UDX_1|Chains... at 92%
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PDBbind
157aa, >6UDY_1|Chains... at 92%
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
6udt
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human Mcl-1
Ligand Name
Q4V
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=0.1nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 10258-10271
Ligand Properties
Formula
C
3
3
H
3
9
ClN
2
O
6
Molecular Weight
595.126
Exact Mass
594.250
No. of atoms
81
No. of bonds
86
Polar Surface Area
110.54
LOGP Value
5.20 (
Computed with XLOGP3
)
4.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
Canonical SMILES
O[C@H]1/C=C/CCN(C)C(=O)C[C@](c2cc3N(C[C@H]4[C@H]1CC4)C[C@@]1(CCCc4c1ccc(c4)Cl)COc3cc2)(O)C(=O)O
InChI String
InChI=1S/C33H39ClN2O6/c1-35-14-3-2-6-28(37)25-10-7-22(25)18-36-19-32(13-4-5-21-15-24(34)9-11-26(21)32)20-42-29-12-8-23(16-27(29)36)33(41,31(39)40)17-30(35)38/h2,6,8-9,11-12,15-16,22,25,28,37,41H,3-5,7,10,13-14,17-20H2,1H3,(H,39,40)/b6-2+/t22-,25+,28-,32-,33+/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):
Q07820
Entrez Gene ID
NCBI Entrez Gene ID:
4170
ASD
Information of known allosteric effects of PDB entries
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