Browse entries in the PDBbind-CN Database
HEADER 6B4L_COMPLEX COMPND 6B4L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 SER MET ASP LEU TYR ARG GLN SER LEU GLU ILE ILE SER SEQRES 2 A 150 ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR SEQRES 3 A 150 LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA SEQRES 4 A 150 LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG SEQRES 5 A 150 ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU SEQRES 6 A 150 ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG SEQRES 7 A 150 VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP SEQRES 8 A 150 GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL SEQRES 9 A 150 ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE SEQRES 10 A 150 GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG SEQRES 11 A 150 THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP SEQRES 12 A 150 GLY PHE VAL GLU PHE PHE HIS HET CJY A 202 44 ATOM 1 N SER A 171 -0.266 9.478 18.036 1.00 34.88 N ATOM 2 CA SER A 171 0.353 10.706 18.564 1.00 34.57 C ATOM 3 C SER A 171 1.554 11.088 17.687 1.00 36.16 C ATOM 4 O SER A 171 2.478 10.281 17.519 1.00 36.17 O ATOM 5 CB SER A 171 0.764 10.516 20.024 1.00 38.30 C ATOM 6 OG SER A 171 1.515 11.601 20.549 1.00 46.35 O ATOM 7 HG SER A 171 0.975 12.429 20.499 1.00 0.00 H ATOM 8 HN3 SER A 171 0.432 8.707 18.046 1.00 0.00 H ATOM 9 HN2 SER A 171 -0.586 9.644 17.061 1.00 0.00 H ATOM 10 HN1 SER A 171 -1.080 9.219 18.630 1.00 0.00 H ATOM 11 N MET A 172 1.531 12.309 17.115 1.00 30.11 N ATOM 12 CA MET A 172 2.585 12.755 16.201 1.00 28.19 C ATOM 13 C MET A 172 3.886 13.033 16.949 1.00 34.56 C ATOM 14 O MET A 172 4.953 12.882 16.358 1.00 34.89 O ATOM 15 CB MET A 172 2.126 13.916 15.283 1.00 28.76 C ATOM 16 CG MET A 172 2.351 15.307 15.834 1.00 29.31 C ATOM 17 SD MET A 172 1.774 16.597 14.700 1.00 28.65 S ATOM 18 CE MET A 172 3.100 17.649 14.857 1.00 26.07 C ATOM 19 H MET A 172 0.742 12.952 17.329 1.00 0.00 H ATOM 20 N ASP A 173 3.808 13.387 18.246 1.00 32.21 N ATOM 21 CA ASP A 173 5.006 13.592 19.058 1.00 32.66 C ATOM 22 C ASP A 173 5.711 12.271 19.292 1.00 35.88 C ATOM 23 O ASP A 173 6.917 12.211 19.107 1.00 36.98 O ATOM 24 CB ASP A 173 4.684 14.292 20.380 1.00 35.44 C ATOM 25 CG ASP A 173 4.498 15.795 20.242 1.00 52.56 C ATOM 26 OD1 ASP A 173 4.501 16.491 21.284 1.00 54.96 O ATOM 27 OD2 ASP A 173 4.374 16.280 19.088 1.00 57.56 O ATOM 28 H ASP A 173 2.872 13.518 18.681 1.00 0.00 H ATOM 29 N LEU A 174 4.959 11.201 19.631 1.00 31.92 N ATOM 30 CA LEU A 174 5.486 9.848 19.825 1.00 31.12 C ATOM 31 C LEU A 174 6.093 9.362 18.502 1.00 35.79 C ATOM 32 O LEU A 174 7.213 8.847 18.514 1.00 36.05 O ATOM 33 CB LEU A 174 4.353 8.911 20.291 1.00 30.78 C ATOM 34 CG LEU A 174 4.705 7.486 20.731 1.00 35.50 C ATOM 35 CD1 LEU A 174 5.641 7.484 21.939 1.00 35.69 C ATOM 36 CD2 LEU A 174 3.448 6.713 21.052 1.00 39.43 C ATOM 37 H LEU A 174 3.938 11.348 19.763 1.00 0.00 H ATOM 38 N TYR A 175 5.393 9.604 17.367 1.00 31.26 N ATOM 39 CA TYR A 175 5.887 9.247 16.042 1.00 30.84 C ATOM 40 C TYR A 175 7.202 9.962 15.686 1.00 36.22 C ATOM 41 O TYR A 175 8.163 9.292 15.301 1.00 36.78 O ATOM 42 CB TYR A 175 4.820 9.490 14.943 1.00 30.99 C ATOM 43 CG TYR A 175 5.355 9.257 13.543 1.00 30.42 C ATOM 44 CD1 TYR A 175 5.363 7.984 12.983 1.00 31.64 C ATOM 45 CD2 TYR A 175 5.937 10.296 12.814 1.00 31.08 C ATOM 46 CE1 TYR A 175 5.889 7.755 11.714 1.00 31.54 C ATOM 47 CE2 TYR A 175 6.499 10.071 11.560 1.00 31.81 C ATOM 48 CZ TYR A 175 6.457 8.800 11.008 1.00 36.26 C ATOM 49 OH TYR A 175 6.983 8.576 9.768 1.00 33.98 O ATOM 50 HH TYR A 175 6.869 7.622 9.530 1.00 0.00 H ATOM 51 H TYR A 175 4.464 10.064 17.444 1.00 0.00 H ATOM 52 N ARG A 176 7.238 11.302 15.780 1.00 34.54 N ATOM 53 CA ARG A 176 8.425 12.080 15.415 1.00 35.02 C ATOM 54 C ARG A 176 9.631 11.789 16.347 1.00 38.32 C ATOM 55 O ARG A 176 10.768 11.777 15.865 1.00 38.95 O ATOM 56 CB ARG A 176 8.124 13.588 15.261 1.00 36.19 C ATOM 57 CG ARG A 176 7.868 14.403 16.524 1.00 61.67 C ATOM 58 CD ARG A 176 8.733 15.663 16.573 1.00 82.68 C ATOM 59 NE ARG A 176 10.142 15.337 16.851 1.00 99.72 N ATOM 60 CZ ARG A 176 11.161 16.189 16.765 1.00114.18 C ATOM 61 NH1 ARG A 176 10.954 17.451 16.409 1.00 99.59 N ATOM 62 NH2 ARG A 176 12.396 15.782 17.027 1.00100.11 N ATOM 63 HE ARG A 176 10.359 14.361 17.138 1.00 0.00 H ATOM 64 HH12 ARG A 176 11.755 18.111 16.344 1.00 0.00 H ATOM 65 HH11 ARG A 176 9.991 17.780 16.195 1.00 0.00 H ATOM 66 HH22 ARG A 176 13.189 16.451 16.959 1.00 0.00 H ATOM 67 HH21 ARG A 176 12.571 14.794 17.301 1.00 0.00 H ATOM 68 H ARG A 176 6.395 11.804 16.124 1.00 0.00 H ATOM 69 N GLN A 177 9.383 11.485 17.638 1.00 32.50 N ATOM 70 CA GLN A 177 10.466 11.149 18.561 1.00 32.32 C ATOM 71 C GLN A 177 11.002 9.755 18.216 1.00 35.12 C ATOM 72 O GLN A 177 12.214 9.570 18.067 1.00 34.59 O ATOM 73 CB GLN A 177 10.007 11.236 20.026 1.00 33.62 C ATOM 74 CG GLN A 177 11.115 10.881 21.028 1.00 42.30 C ATOM 75 CD GLN A 177 10.747 11.110 22.475 1.00 53.37 C ATOM 76 OE1 GLN A 177 11.622 11.306 23.323 1.00 47.49 O ATOM 77 NE2 GLN A 177 9.456 11.073 22.800 1.00 46.46 N ATOM 78 HE22 GLN A 177 8.739 10.906 22.065 1.00 0.00 H ATOM 79 HE21 GLN A 177 9.165 11.211 23.789 1.00 0.00 H ATOM 80 H GLN A 177 8.402 11.490 17.983 1.00 0.00 H ATOM 81 N SER A 178 10.085 8.790 18.044 1.00 30.97 N ATOM 82 CA SER A 178 10.425 7.422 17.662 1.00 30.04 C ATOM 83 C SER A 178 11.216 7.406 16.350 1.00 33.13 C ATOM 84 O SER A 178 12.239 6.733 16.287 1.00 31.69 O ATOM 85 CB SER A 178 9.170 6.562 17.555 1.00 31.98 C ATOM 86 OG SER A 178 8.532 6.477 18.818 1.00 38.79 O ATOM 87 HG SER A 178 8.280 7.385 19.121 1.00 0.00 H ATOM 88 H SER A 178 9.083 9.028 18.190 1.00 0.00 H ATOM 89 N LEU A 179 10.789 8.211 15.341 1.00 30.56 N ATOM 90 CA LEU A 179 11.447 8.297 14.030 1.00 30.67 C ATOM 91 C LEU A 179 12.899 8.707 14.145 1.00 35.91 C ATOM 92 O LEU A 179 13.750 8.082 13.521 1.00 36.49 O ATOM 93 CB LEU A 179 10.686 9.231 13.070 1.00 30.46 C ATOM 94 CG LEU A 179 11.075 9.191 11.580 1.00 34.74 C ATOM 95 CD1 LEU A 179 10.787 7.840 10.949 1.00 34.61 C ATOM 96 CD2 LEU A 179 10.305 10.243 10.802 1.00 37.12 C ATOM 97 H LEU A 179 9.948 8.800 15.507 1.00 0.00 H ATOM 98 N GLU A 180 13.182 9.723 14.964 1.00 32.01 N ATOM 99 CA GLU A 180 14.531 10.217 15.181 1.00 32.04 C ATOM 100 C GLU A 180 15.411 9.168 15.822 1.00 35.10 C ATOM 101 O GLU A 180 16.505 8.946 15.316 1.00 35.95 O ATOM 102 CB GLU A 180 14.506 11.502 16.009 1.00 33.87 C ATOM 103 CG GLU A 180 15.664 12.425 15.697 1.00 48.71 C ATOM 104 CD GLU A 180 15.617 13.775 16.384 1.00 77.69 C ATOM 105 OE1 GLU A 180 15.191 13.840 17.562 1.00 54.04 O ATOM 106 OE2 GLU A 180 16.029 14.770 15.743 1.00 84.38 O ATOM 107 H GLU A 180 12.399 10.183 15.471 1.00 0.00 H ATOM 108 N ILE A 181 14.924 8.485 16.892 1.00 30.31 N ATOM 109 CA ILE A 181 15.663 7.409 17.597 1.00 29.69 C ATOM 110 C ILE A 181 15.971 6.234 16.651 1.00 30.92 C ATOM 111 O ILE A 181 17.122 5.829 16.557 1.00 28.98 O ATOM 112 CB ILE A 181 14.943 6.950 18.926 1.00 32.50 C ATOM 113 CG1 ILE A 181 14.870 8.110 19.954 1.00 32.63 C ATOM 114 CG2 ILE A 181 15.624 5.722 19.560 1.00 32.30 C ATOM 115 CD1 ILE A 181 13.691 8.049 20.904 1.00 36.15 C ATOM 116 H ILE A 181 13.975 8.732 17.238 1.00 0.00 H ATOM 117 N ILE A 182 14.946 5.719 15.937 1.00 28.57 N ATOM 118 CA ILE A 182 15.072 4.574 15.023 1.00 29.08 C ATOM 119 C ILE A 182 15.979 4.892 13.820 1.00 33.20 C ATOM 120 O ILE A 182 16.898 4.120 13.545 1.00 32.88 O ATOM 121 CB ILE A 182 13.691 3.959 14.570 1.00 32.56 C ATOM 122 CG1 ILE A 182 12.720 3.632 15.746 1.00 32.59 C ATOM 123 CG2 ILE A 182 13.866 2.719 13.656 1.00 33.23 C ATOM 124 CD1 ILE A 182 13.307 3.320 17.058 1.00 47.67 C ATOM 125 H ILE A 182 14.010 6.160 16.040 1.00 0.00 H ATOM 126 N SER A 183 15.721 6.013 13.112 1.00 30.02 N ATOM 127 CA SER A 183 16.517 6.388 11.936 1.00 30.12 C ATOM 128 C SER A 183 17.984 6.660 12.276 1.00 32.94 C ATOM 129 O SER A 183 18.852 6.269 11.500 1.00 31.69 O ATOM 130 CB SER A 183 15.883 7.542 11.156 1.00 34.11 C ATOM 131 OG SER A 183 15.859 8.735 11.918 1.00 48.37 O ATOM 132 HG SER A 183 15.332 8.588 12.743 1.00 0.00 H ATOM 133 H SER A 183 14.936 6.628 13.408 1.00 0.00 H ATOM 134 N ARG A 184 18.262 7.248 13.457 1.00 29.61 N ATOM 135 CA ARG A 184 19.632 7.479 13.915 1.00 29.66 C ATOM 136 C ARG A 184 20.360 6.167 14.168 1.00 33.19 C ATOM 137 O ARG A 184 21.495 6.024 13.720 1.00 34.57 O ATOM 138 CB ARG A 184 19.676 8.373 15.157 1.00 31.29 C ATOM 139 CG ARG A 184 19.534 9.841 14.816 1.00 39.13 C ATOM 140 CD ARG A 184 20.549 10.672 15.554 1.00 56.61 C ATOM 141 NE ARG A 184 20.307 12.097 15.344 1.00 69.36 N ATOM 142 CZ ARG A 184 21.101 13.064 15.784 1.00 84.63 C ATOM 143 NH1 ARG A 184 22.199 12.771 16.469 1.00 71.43 N ATOM 144 NH2 ARG A 184 20.802 14.332 15.547 1.00 75.95 N ATOM 145 HE ARG A 184 19.455 12.372 14.814 1.00 0.00 H ATOM 146 HH12 ARG A 184 22.817 13.534 16.811 1.00 0.00 H ATOM 147 HH11 ARG A 184 22.441 11.778 16.664 1.00 0.00 H ATOM 148 HH22 ARG A 184 21.427 15.087 15.894 1.00 0.00 H ATOM 149 HH21 ARG A 184 19.942 14.573 15.014 1.00 0.00 H ATOM 150 H ARG A 184 17.473 7.548 14.065 1.00 0.00 H ATOM 151 N TYR A 185 19.703 5.199 14.837 1.00 27.64 N ATOM 152 CA TYR A 185 20.285 3.885 15.129 1.00 26.29 C ATOM 153 C TYR A 185 20.541 3.082 13.871 1.00 30.16 C ATOM 154 O TYR A 185 21.627 2.527 13.727 1.00 28.73 O ATOM 155 CB TYR A 185 19.430 3.086 16.135 1.00 26.95 C ATOM 156 CG TYR A 185 20.025 1.749 16.552 1.00 27.43 C ATOM 157 CD1 TYR A 185 21.222 1.687 17.269 1.00 28.69 C ATOM 158 CD2 TYR A 185 19.366 0.552 16.279 1.00 27.75 C ATOM 159 CE1 TYR A 185 21.750 0.466 17.691 1.00 28.45 C ATOM 160 CE2 TYR A 185 19.879 -0.674 16.705 1.00 28.98 C ATOM 161 CZ TYR A 185 21.080 -0.716 17.398 1.00 35.38 C ATOM 162 OH TYR A 185 21.610 -1.932 17.776 1.00 34.07 O ATOM 163 HH TYR A 185 22.462 -1.784 18.257 1.00 0.00 H ATOM 164 H TYR A 185 18.735 5.394 15.163 1.00 0.00 H ATOM 165 N LEU A 186 19.559 3.044 12.945 1.00 28.19 N ATOM 166 CA LEU A 186 19.695 2.341 11.669 1.00 27.56 C ATOM 167 C LEU A 186 20.831 2.916 10.808 1.00 33.71 C ATOM 168 O LEU A 186 21.641 2.146 10.296 1.00 34.52 O ATOM 169 CB LEU A 186 18.356 2.283 10.914 1.00 26.28 C ATOM 170 CG LEU A 186 17.562 0.983 11.105 1.00 29.30 C ATOM 171 CD1 LEU A 186 17.108 0.798 12.570 1.00 28.42 C ATOM 172 CD2 LEU A 186 16.374 0.914 10.146 1.00 30.24 C ATOM 173 H LEU A 186 18.666 3.537 13.148 1.00 0.00 H ATOM 174 N ARG A 187 20.926 4.257 10.715 1.00 31.02 N ATOM 175 CA ARG A 187 21.958 4.971 9.952 1.00 31.45 C ATOM 176 C ARG A 187 23.350 4.719 10.504 1.00 35.75 C ATOM 177 O ARG A 187 24.257 4.412 9.737 1.00 35.27 O ATOM 178 CB ARG A 187 21.692 6.492 9.924 1.00 32.00 C ATOM 179 CG ARG A 187 20.565 6.931 9.000 1.00 47.35 C ATOM 180 CD ARG A 187 20.579 8.438 8.751 1.00 68.39 C ATOM 181 NE ARG A 187 20.084 9.232 9.882 1.00 81.10 N ATOM 182 CZ ARG A 187 18.842 9.702 9.989 1.00 97.31 C ATOM 183 NH1 ARG A 187 17.944 9.447 9.049 1.00 87.07 N ATOM 184 NH2 ARG A 187 18.488 10.425 11.044 1.00 82.40 N ATOM 185 HE ARG A 187 20.749 9.442 10.653 1.00 0.00 H ATOM 186 HH12 ARG A 187 16.977 9.818 9.140 1.00 0.00 H ATOM 187 HH11 ARG A 187 18.207 8.876 8.220 1.00 0.00 H ATOM 188 HH22 ARG A 187 17.517 10.789 11.123 1.00 0.00 H ATOM 189 HH21 ARG A 187 19.181 10.627 11.792 1.00 0.00 H ATOM 190 H ARG A 187 20.218 4.827 11.220 1.00 0.00 H ATOM 191 N GLU A 188 23.528 4.855 11.832 1.00 32.42 N ATOM 192 CA GLU A 188 24.827 4.671 12.465 1.00 31.88 C ATOM 193 C GLU A 188 25.304 3.224 12.482 1.00 37.67 C ATOM 194 O GLU A 188 26.514 3.003 12.531 1.00 38.36 O ATOM 195 CB GLU A 188 24.876 5.294 13.858 1.00 33.11 C ATOM 196 CG GLU A 188 24.077 4.601 14.938 1.00 44.88 C ATOM 197 CD GLU A 188 24.276 5.232 16.300 1.00 67.23 C ATOM 198 OE1 GLU A 188 24.584 4.470 17.245 1.00 61.16 O ATOM 199 OE2 GLU A 188 24.167 6.478 16.417 1.00 58.76 O ATOM 200 H GLU A 188 22.710 5.100 12.426 1.00 0.00 H ATOM 201 N GLN A 189 24.373 2.238 12.459 1.00 33.70 N ATOM 202 CA GLN A 189 24.728 0.815 12.403 1.00 32.93 C ATOM 203 C GLN A 189 25.253 0.514 11.001 1.00 38.13 C ATOM 204 O GLN A 189 26.231 -0.222 10.860 1.00 38.63 O ATOM 205 CB GLN A 189 23.511 -0.076 12.714 1.00 33.87 C ATOM 206 CG GLN A 189 23.153 -0.144 14.185 1.00 26.39 C ATOM 207 CD GLN A 189 23.976 -1.139 14.927 1.00 33.69 C ATOM 208 OE1 GLN A 189 23.920 -2.354 14.660 1.00 31.56 O ATOM 209 NE2 GLN A 189 24.736 -0.646 15.898 1.00 31.73 N ATOM 210 HE22 GLN A 189 24.747 0.378 16.081 1.00 0.00 H ATOM 211 HE21 GLN A 189 25.320 -1.284 16.476 1.00 0.00 H ATOM 212 H GLN A 189 23.367 2.501 12.482 1.00 0.00 H ATOM 213 N ALA A 190 24.603 1.101 9.970 1.00 35.21 N ATOM 214 CA ALA A 190 24.973 0.949 8.561 1.00 36.40 C ATOM 215 C ALA A 190 26.333 1.593 8.219 1.00 42.56 C ATOM 216 O ALA A 190 27.152 0.959 7.550 1.00 41.81 O ATOM 217 CB ALA A 190 23.886 1.523 7.673 1.00 37.04 C ATOM 218 H ALA A 190 23.784 1.702 10.193 1.00 0.00 H ATOM 219 N THR A 191 26.562 2.840 8.683 1.00 39.98 N ATOM 220 CA THR A 191 27.781 3.603 8.415 1.00 40.59 C ATOM 221 C THR A 191 28.956 3.228 9.324 1.00 48.39 C ATOM 222 O THR A 191 30.107 3.306 8.892 1.00 48.68 O ATOM 223 CB THR A 191 27.515 5.122 8.451 1.00 42.34 C ATOM 224 OG1 THR A 191 27.186 5.519 9.776 1.00 42.02 O ATOM 225 CG2 THR A 191 26.418 5.573 7.464 1.00 36.37 C ATOM 226 HG1 THR A 191 26.374 5.036 10.072 1.00 0.00 H ATOM 227 H THR A 191 25.826 3.286 9.267 1.00 0.00 H ATOM 228 N GLY A 192 28.663 2.866 10.566 1.00 47.75 N ATOM 229 CA GLY A 192 29.669 2.540 11.572 1.00 49.47 C ATOM 230 C GLY A 192 30.086 3.760 12.371 1.00 58.53 C ATOM 231 O GLY A 192 30.902 3.652 13.289 1.00 57.74 O ATOM 232 H GLY A 192 27.661 2.811 10.838 1.00 0.00 H ATOM 233 N ALA A 193 29.509 4.935 12.030 1.00 59.87 N ATOM 234 CA ALA A 193 29.788 6.220 12.670 1.00 61.90 C ATOM 235 C ALA A 193 28.531 6.870 13.259 1.00 70.11 C ATOM 236 O ALA A 193 27.534 7.056 12.553 1.00 68.73 O ATOM 237 CB ALA A 193 30.452 7.165 11.678 1.00 62.71 C ATOM 238 H ALA A 193 28.815 4.924 11.255 1.00 0.00 H ATOM 239 N LYS A 194 28.603 7.243 14.554 1.00 70.84 N ATOM 240 CA LYS A 194 27.508 7.905 15.271 1.00 72.43 C ATOM 241 C LYS A 194 27.371 9.367 14.842 1.00 80.84 C ATOM 242 O LYS A 194 28.376 10.021 14.551 1.00 80.82 O ATOM 243 CB LYS A 194 27.661 7.813 16.807 1.00 74.89 C ATOM 244 CG LYS A 194 28.809 6.943 17.332 1.00 93.52 C ATOM 245 CD LYS A 194 28.604 6.464 18.788 1.00107.77 C ATOM 246 CE LYS A 194 28.613 7.547 19.857 1.00123.23 C ATOM 247 NZ LYS A 194 29.959 8.150 20.050 1.00134.92 N ATOM 248 HZ1 LYS A 194 30.631 7.410 20.339 1.00 0.00 H ATOM 249 HZ2 LYS A 194 30.276 8.579 19.157 1.00 0.00 H ATOM 250 HZ3 LYS A 194 29.908 8.881 20.788 1.00 0.00 H ATOM 251 H LYS A 194 29.484 7.050 15.072 1.00 0.00 H ATOM 252 N ASP A 195 26.123 9.871 14.799 1.00 80.39 N ATOM 253 CA ASP A 195 25.813 11.263 14.468 1.00 81.63 C ATOM 254 C ASP A 195 26.063 12.116 15.727 1.00 88.66 C ATOM 255 O ASP A 195 25.857 11.628 16.844 1.00 88.44 O ATOM 256 CB ASP A 195 24.335 11.385 14.044 1.00 83.86 C ATOM 257 CG ASP A 195 23.966 12.610 13.208 1.00 98.11 C ATOM 258 OD1 ASP A 195 24.475 13.717 13.506 1.00 99.79 O ATOM 259 OD2 ASP A 195 23.113 12.477 12.307 1.00103.61 O ATOM 260 H ASP A 195 25.331 9.232 15.014 1.00 0.00 H ATOM 261 N THR A 196 26.398 13.414 15.538 1.00 87.29 N ATOM 262 CA THR A 196 26.655 14.384 16.622 1.00 88.02 C ATOM 263 C THR A 196 25.481 14.518 17.608 1.00 93.86 C ATOM 264 O THR A 196 24.318 14.470 17.197 1.00 93.60 O ATOM 265 CB THR A 196 27.089 15.747 16.064 1.00 95.86 C ATOM 266 OG1 THR A 196 26.094 16.232 15.163 1.00 95.63 O ATOM 267 CG2 THR A 196 28.448 15.695 15.376 1.00 94.29 C ATOM 268 HG1 THR A 196 25.235 16.331 15.644 1.00 0.00 H ATOM 269 H THR A 196 26.480 13.753 14.558 1.00 0.00 H ATOM 270 N LYS A 197 25.810 14.698 18.907 1.00 91.71 N ATOM 271 CA LYS A 197 24.912 14.814 20.073 1.00 92.00 C ATOM 272 C LYS A 197 23.567 15.596 19.862 1.00 96.60 C ATOM 273 O LYS A 197 22.544 15.048 20.290 1.00 96.19 O ATOM 274 CB LYS A 197 25.660 15.397 21.290 1.00 94.34 C ATOM 275 CG LYS A 197 26.585 14.408 21.997 1.00105.17 C ATOM 276 CD LYS A 197 28.036 14.558 21.558 1.00113.45 C ATOM 277 CE LYS A 197 28.958 13.660 22.342 1.00122.66 C ATOM 278 NZ LYS A 197 30.376 13.844 21.938 1.00130.44 N ATOM 279 HZ1 LYS A 197 30.479 13.620 20.928 1.00 0.00 H ATOM 280 HZ2 LYS A 197 30.658 14.831 22.106 1.00 0.00 H ATOM 281 HZ3 LYS A 197 30.980 13.210 22.499 1.00 0.00 H ATOM 282 H LYS A 197 26.828 14.763 19.111 1.00 0.00 H ATOM 283 N PRO A 198 23.494 16.825 19.257 1.00 93.33 N ATOM 284 CA PRO A 198 22.180 17.499 19.149 1.00 92.78 C ATOM 285 C PRO A 198 21.152 16.835 18.216 1.00 94.70 C ATOM 286 O PRO A 198 21.440 16.557 17.049 1.00 94.04 O ATOM 287 CB PRO A 198 22.540 18.919 18.693 1.00 94.59 C ATOM 288 CG PRO A 198 23.835 18.774 17.991 1.00 99.12 C ATOM 289 CD PRO A 198 24.572 17.686 18.717 1.00 94.83 C ATOM 290 N MET A 199 19.942 16.595 18.772 1.00 89.50 N ATOM 291 CA MET A 199 18.721 16.025 18.174 1.00 88.37 C ATOM 292 C MET A 199 17.596 17.098 18.188 1.00 92.76 C ATOM 293 O MET A 199 17.827 18.216 18.664 1.00 92.92 O ATOM 294 CB MET A 199 18.305 14.744 18.937 1.00 89.97 C ATOM 295 CG MET A 199 19.317 13.613 18.778 1.00 92.53 C ATOM 296 SD MET A 199 18.949 12.057 19.619 1.00 95.18 S ATOM 297 CE MET A 199 17.872 11.319 18.460 1.00 91.63 C ATOM 298 H MET A 199 19.861 16.852 19.776 1.00 0.00 H ATOM 299 N GLY A 200 16.416 16.760 17.661 1.00 88.46 N ATOM 300 CA GLY A 200 15.268 17.663 17.598 1.00 87.86 C ATOM 301 C GLY A 200 14.565 17.844 18.929 1.00 90.47 C ATOM 302 O GLY A 200 15.213 17.795 19.981 1.00 90.09 O ATOM 303 H GLY A 200 16.308 15.801 17.274 1.00 0.00 H ATOM 304 N ARG A 201 13.222 18.054 18.894 1.00 85.81 N ATOM 305 CA ARG A 201 12.392 18.234 20.097 1.00 84.88 C ATOM 306 C ARG A 201 12.558 17.067 21.064 1.00 86.93 C ATOM 307 O ARG A 201 12.697 15.924 20.626 1.00 86.70 O ATOM 308 CB ARG A 201 10.911 18.491 19.769 1.00 84.92 C ATOM 309 CG ARG A 201 10.268 19.400 20.789 1.00 96.42 C ATOM 310 CD ARG A 201 8.859 19.771 20.391 1.00108.78 C ATOM 311 NE ARG A 201 7.950 19.649 21.526 1.00117.38 N ATOM 312 CZ ARG A 201 7.126 18.626 21.724 1.00131.26 C ATOM 313 NH1 ARG A 201 6.330 18.605 22.784 1.00116.72 N ATOM 314 NH2 ARG A 201 7.093 17.613 20.866 1.00119.46 N ATOM 315 HE ARG A 201 7.947 20.416 22.228 1.00 0.00 H ATOM 316 HH12 ARG A 201 5.686 17.802 22.935 1.00 0.00 H ATOM 317 HH11 ARG A 201 6.349 19.391 23.464 1.00 0.00 H ATOM 318 HH22 ARG A 201 6.445 16.816 21.028 1.00 0.00 H ATOM 319 HH21 ARG A 201 7.715 17.617 20.032 1.00 0.00 H ATOM 320 H ARG A 201 12.755 18.089 17.966 1.00 0.00 H ATOM 321 N SER A 202 12.583 17.385 22.380 1.00 81.61 N ATOM 322 CA SER A 202 12.854 16.519 23.535 1.00 80.39 C ATOM 323 C SER A 202 14.386 16.382 23.617 1.00 82.08 C ATOM 324 O SER A 202 15.004 17.078 24.429 1.00 82.71 O ATOM 325 CB SER A 202 12.121 15.177 23.463 1.00 83.38 C ATOM 326 OG SER A 202 10.720 15.364 23.380 1.00 91.57 O ATOM 327 HG SER A 202 10.273 14.482 23.335 1.00 0.00 H ATOM 328 H SER A 202 12.382 18.381 22.604 1.00 0.00 H ATOM 329 N GLY A 203 14.981 15.592 22.716 1.00 75.01 N ATOM 330 CA GLY A 203 16.425 15.418 22.591 1.00 72.89 C ATOM 331 C GLY A 203 17.161 14.737 23.730 1.00 71.74 C ATOM 332 O GLY A 203 17.919 13.799 23.480 1.00 71.13 O ATOM 333 H GLY A 203 14.372 15.065 22.058 1.00 0.00 H ATOM 334 N ALA A 204 16.993 15.232 24.976 1.00 64.26 N ATOM 335 CA ALA A 204 17.640 14.691 26.174 1.00 62.43 C ATOM 336 C ALA A 204 17.172 13.250 26.459 1.00 62.87 C ATOM 337 O ALA A 204 17.999 12.390 26.765 1.00 60.85 O ATOM 338 CB ALA A 204 17.374 15.591 27.367 1.00 63.06 C ATOM 339 H ALA A 204 16.363 16.051 25.092 1.00 0.00 H ATOM 340 N THR A 205 15.853 12.991 26.320 1.00 57.73 N ATOM 341 CA THR A 205 15.240 11.668 26.477 1.00 56.29 C ATOM 342 C THR A 205 15.656 10.774 25.290 1.00 55.43 C ATOM 343 O THR A 205 15.996 9.606 25.498 1.00 55.47 O ATOM 344 CB THR A 205 13.714 11.822 26.660 1.00 70.19 C ATOM 345 OG1 THR A 205 13.473 12.264 27.996 1.00 72.85 O ATOM 346 CG2 THR A 205 12.934 10.533 26.405 1.00 70.32 C ATOM 347 HG1 THR A 205 13.925 13.133 28.142 1.00 0.00 H ATOM 348 H THR A 205 15.227 13.788 26.085 1.00 0.00 H ATOM 349 N SER A 206 15.657 11.344 24.060 1.00 47.18 N ATOM 350 CA SER A 206 16.010 10.668 22.815 1.00 45.12 C ATOM 351 C SER A 206 17.460 10.205 22.809 1.00 47.25 C ATOM 352 O SER A 206 17.724 9.082 22.397 1.00 45.62 O ATOM 353 CB SER A 206 15.712 11.558 21.615 1.00 46.82 C ATOM 354 OG SER A 206 14.337 11.904 21.566 1.00 50.98 O ATOM 355 HG SER A 206 14.171 12.481 20.779 1.00 0.00 H ATOM 356 H SER A 206 15.384 12.346 23.998 1.00 0.00 H ATOM 357 N ARG A 207 18.384 11.044 23.320 1.00 44.61 N ATOM 358 CA ARG A 207 19.812 10.738 23.427 1.00 44.34 C ATOM 359 C ARG A 207 20.023 9.574 24.395 1.00 49.01 C ATOM 360 O ARG A 207 20.804 8.673 24.092 1.00 49.24 O ATOM 361 CB ARG A 207 20.608 11.969 23.879 1.00 45.02 C ATOM 362 CG ARG A 207 22.100 11.854 23.612 1.00 64.47 C ATOM 363 CD ARG A 207 22.874 13.012 24.201 1.00 83.62 C ATOM 364 NE ARG A 207 23.411 12.693 25.524 1.00 98.73 N ATOM 365 CZ ARG A 207 24.573 13.146 25.986 1.00116.79 C ATOM 366 NH1 ARG A 207 25.332 13.937 25.236 1.00101.84 N ATOM 367 NH2 ARG A 207 24.987 12.811 27.199 1.00106.39 N ATOM 368 HE ARG A 207 22.849 12.073 26.142 1.00 0.00 H ATOM 369 HH12 ARG A 207 26.240 14.288 25.603 1.00 0.00 H ATOM 370 HH11 ARG A 207 25.019 14.206 24.281 1.00 0.00 H ATOM 371 HH22 ARG A 207 25.897 13.168 27.555 1.00 0.00 H ATOM 372 HH21 ARG A 207 24.403 12.191 27.795 1.00 0.00 H ATOM 373 H ARG A 207 18.060 11.972 23.661 1.00 0.00 H ATOM 374 N LYS A 208 19.294 9.572 25.531 1.00 45.14 N ATOM 375 CA LYS A 208 19.352 8.497 26.525 1.00 44.59 C ATOM 376 C LYS A 208 18.804 7.199 25.911 1.00 45.66 C ATOM 377 O LYS A 208 19.440 6.160 26.056 1.00 44.67 O ATOM 378 CB LYS A 208 18.561 8.862 27.791 1.00 46.97 C ATOM 379 CG LYS A 208 19.248 9.844 28.725 1.00 61.86 C ATOM 380 CD LYS A 208 18.286 10.205 29.855 1.00 74.48 C ATOM 381 CE LYS A 208 18.862 11.067 30.938 1.00 87.25 C ATOM 382 NZ LYS A 208 17.876 11.277 32.037 1.00 92.33 N ATOM 383 HZ1 LYS A 208 17.028 11.743 31.656 1.00 0.00 H ATOM 384 HZ2 LYS A 208 17.614 10.358 32.446 1.00 0.00 H ATOM 385 HZ3 LYS A 208 18.301 11.877 32.773 1.00 0.00 H ATOM 386 H LYS A 208 18.658 10.375 25.710 1.00 0.00 H ATOM 387 N ALA A 209 17.654 7.279 25.196 1.00 39.96 N ATOM 388 CA ALA A 209 17.006 6.159 24.504 1.00 38.90 C ATOM 389 C ALA A 209 17.929 5.546 23.442 1.00 42.35 C ATOM 390 O ALA A 209 18.044 4.326 23.387 1.00 41.76 O ATOM 391 CB ALA A 209 15.684 6.604 23.885 1.00 39.47 C ATOM 392 H ALA A 209 17.194 8.210 25.133 1.00 0.00 H ATOM 393 N LEU A 210 18.616 6.384 22.636 1.00 39.20 N ATOM 394 CA LEU A 210 19.559 5.925 21.604 1.00 38.67 C ATOM 395 C LEU A 210 20.750 5.195 22.245 1.00 41.21 C ATOM 396 O LEU A 210 21.223 4.192 21.708 1.00 40.00 O ATOM 397 CB LEU A 210 20.039 7.109 20.730 1.00 38.56 C ATOM 398 CG LEU A 210 20.863 6.779 19.472 1.00 43.48 C ATOM 399 CD1 LEU A 210 20.053 5.960 18.450 1.00 43.49 C ATOM 400 CD2 LEU A 210 21.380 8.041 18.818 1.00 45.59 C ATOM 401 H LEU A 210 18.471 7.407 22.751 1.00 0.00 H ATOM 402 N GLU A 211 21.200 5.687 23.412 1.00 37.74 N ATOM 403 CA GLU A 211 22.300 5.099 24.169 1.00 37.49 C ATOM 404 C GLU A 211 21.947 3.728 24.756 1.00 37.87 C ATOM 405 O GLU A 211 22.790 2.829 24.710 1.00 37.16 O ATOM 406 CB GLU A 211 22.810 6.070 25.244 1.00 39.27 C ATOM 407 CG GLU A 211 23.655 7.197 24.677 1.00 52.04 C ATOM 408 CD GLU A 211 24.049 8.312 25.633 1.00 79.89 C ATOM 409 OE1 GLU A 211 24.977 9.075 25.276 1.00 81.34 O ATOM 410 OE2 GLU A 211 23.432 8.439 26.718 1.00 66.22 O ATOM 411 H GLU A 211 20.738 6.535 23.797 1.00 0.00 H ATOM 412 N THR A 212 20.704 3.550 25.271 1.00 32.45 N ATOM 413 CA THR A 212 20.280 2.245 25.796 1.00 31.81 C ATOM 414 C THR A 212 20.023 1.304 24.624 1.00 33.60 C ATOM 415 O THR A 212 20.383 0.132 24.713 1.00 33.60 O ATOM 416 CB THR A 212 19.127 2.298 26.863 1.00 43.71 C ATOM 417 OG1 THR A 212 18.317 1.125 26.772 1.00 46.30 O ATOM 418 CG2 THR A 212 18.237 3.472 26.737 1.00 39.69 C ATOM 419 HG1 THR A 212 17.595 1.170 27.448 1.00 0.00 H ATOM 420 H THR A 212 20.041 4.351 25.294 1.00 0.00 H ATOM 421 N LEU A 213 19.464 1.830 23.513 1.00 28.18 N ATOM 422 CA LEU A 213 19.203 1.069 22.283 1.00 27.04 C ATOM 423 C LEU A 213 20.490 0.475 21.691 1.00 31.31 C ATOM 424 O LEU A 213 20.450 -0.668 21.260 1.00 30.92 O ATOM 425 CB LEU A 213 18.435 1.930 21.256 1.00 26.77 C ATOM 426 CG LEU A 213 18.005 1.298 19.935 1.00 31.10 C ATOM 427 CD1 LEU A 213 17.212 -0.030 20.141 1.00 30.73 C ATOM 428 CD2 LEU A 213 17.203 2.294 19.100 1.00 32.43 C ATOM 429 H LEU A 213 19.202 2.836 23.529 1.00 0.00 H ATOM 430 N ARG A 214 21.637 1.221 21.698 1.00 29.08 N ATOM 431 CA ARG A 214 22.959 0.738 21.247 1.00 28.81 C ATOM 432 C ARG A 214 23.377 -0.468 22.108 1.00 37.50 C ATOM 433 O ARG A 214 23.760 -1.489 21.562 1.00 38.26 O ATOM 434 CB ARG A 214 24.034 1.829 21.421 1.00 27.82 C ATOM 435 CG ARG A 214 24.017 2.927 20.372 1.00 35.73 C ATOM 436 CD ARG A 214 24.944 4.076 20.727 1.00 34.10 C ATOM 437 NE ARG A 214 24.690 5.213 19.843 1.00 43.08 N ATOM 438 CZ ARG A 214 24.948 6.489 20.116 1.00 53.17 C ATOM 439 NH1 ARG A 214 25.501 6.831 21.272 1.00 38.78 N ATOM 440 NH2 ARG A 214 24.654 7.433 19.234 1.00 34.84 N ATOM 441 HE ARG A 214 24.269 5.005 18.915 1.00 0.00 H ATOM 442 HH12 ARG A 214 25.700 7.831 21.478 1.00 0.00 H ATOM 443 HH11 ARG A 214 25.736 6.099 21.973 1.00 0.00 H ATOM 444 HH22 ARG A 214 24.857 8.429 19.452 1.00 0.00 H ATOM 445 HH21 ARG A 214 24.220 7.178 18.324 1.00 0.00 H ATOM 446 H ARG A 214 21.574 2.199 22.046 1.00 0.00 H ATOM 447 N ARG A 215 23.282 -0.347 23.451 1.00 36.00 N ATOM 448 CA ARG A 215 23.646 -1.375 24.432 1.00 36.06 C ATOM 449 C ARG A 215 22.808 -2.651 24.279 1.00 38.79 C ATOM 450 O ARG A 215 23.364 -3.708 23.973 1.00 38.95 O ATOM 451 CB ARG A 215 23.490 -0.803 25.849 1.00 39.70 C ATOM 452 CG ARG A 215 24.496 -1.329 26.873 1.00 58.81 C ATOM 453 CD ARG A 215 24.196 -0.872 28.303 1.00 74.84 C ATOM 454 NE ARG A 215 23.829 0.548 28.390 1.00 86.24 N ATOM 455 CZ ARG A 215 22.622 1.003 28.727 1.00 96.02 C ATOM 456 NH1 ARG A 215 21.647 0.156 29.043 1.00 79.83 N ATOM 457 NH2 ARG A 215 22.384 2.307 28.761 1.00 76.84 N ATOM 458 HE ARG A 215 24.565 1.250 28.173 1.00 0.00 H ATOM 459 HH12 ARG A 215 20.708 0.518 29.305 1.00 0.00 H ATOM 460 HH11 ARG A 215 21.823 -0.869 29.028 1.00 0.00 H ATOM 461 HH22 ARG A 215 21.441 2.657 29.025 1.00 0.00 H ATOM 462 HH21 ARG A 215 23.141 2.980 28.524 1.00 0.00 H ATOM 463 H ARG A 215 22.919 0.554 23.821 1.00 0.00 H ATOM 464 N VAL A 216 21.477 -2.544 24.463 1.00 33.75 N ATOM 465 CA VAL A 216 20.541 -3.671 24.378 1.00 32.75 C ATOM 466 C VAL A 216 20.465 -4.238 22.942 1.00 36.36 C ATOM 467 O VAL A 216 20.598 -5.455 22.758 1.00 34.15 O ATOM 468 CB VAL A 216 19.143 -3.312 24.959 1.00 36.19 C ATOM 469 CG1 VAL A 216 18.230 -4.543 24.998 1.00 35.66 C ATOM 470 CG2 VAL A 216 19.264 -2.694 26.353 1.00 35.58 C ATOM 471 H VAL A 216 21.089 -1.604 24.679 1.00 0.00 H ATOM 472 N GLY A 217 20.302 -3.346 21.960 1.00 33.50 N ATOM 473 CA GLY A 217 20.228 -3.691 20.543 1.00 34.37 C ATOM 474 C GLY A 217 21.437 -4.414 19.986 1.00 38.92 C ATOM 475 O GLY A 217 21.273 -5.336 19.189 1.00 38.61 O ATOM 476 H GLY A 217 20.223 -2.343 22.222 1.00 0.00 H ATOM 477 N ASP A 218 22.660 -4.031 20.406 1.00 37.50 N ATOM 478 CA ASP A 218 23.864 -4.734 19.944 1.00 38.98 C ATOM 479 C ASP A 218 23.910 -6.168 20.522 1.00 43.98 C ATOM 480 O ASP A 218 24.336 -7.101 19.832 1.00 44.26 O ATOM 481 CB ASP A 218 25.160 -3.935 20.220 1.00 41.56 C ATOM 482 CG ASP A 218 25.316 -2.586 19.496 1.00 57.79 C ATOM 483 OD1 ASP A 218 24.476 -2.272 18.601 1.00 58.32 O ATOM 484 OD2 ASP A 218 26.232 -1.814 19.870 1.00 65.82 O ATOM 485 H ASP A 218 22.751 -3.230 21.063 1.00 0.00 H ATOM 486 N GLY A 219 23.460 -6.332 21.771 1.00 39.82 N ATOM 487 CA GLY A 219 23.393 -7.623 22.453 1.00 38.73 C ATOM 488 C GLY A 219 22.404 -8.580 21.815 1.00 40.85 C ATOM 489 O GLY A 219 22.691 -9.778 21.692 1.00 40.26 O ATOM 490 H GLY A 219 23.138 -5.489 22.288 1.00 0.00 H ATOM 491 N VAL A 220 21.231 -8.037 21.387 1.00 34.91 N ATOM 492 CA VAL A 220 20.129 -8.745 20.720 1.00 33.58 C ATOM 493 C VAL A 220 20.617 -9.266 19.349 1.00 37.87 C ATOM 494 O VAL A 220 20.371 -10.432 19.009 1.00 35.57 O ATOM 495 CB VAL A 220 18.859 -7.833 20.615 1.00 36.89 C ATOM 496 CG1 VAL A 220 17.799 -8.403 19.670 1.00 36.48 C ATOM 497 CG2 VAL A 220 18.260 -7.551 21.986 1.00 36.02 C ATOM 498 H VAL A 220 21.102 -7.018 21.548 1.00 0.00 H ATOM 499 N GLN A 221 21.340 -8.413 18.586 1.00 36.66 N ATOM 500 CA GLN A 221 21.894 -8.808 17.270 1.00 36.89 C ATOM 501 C GLN A 221 22.861 -10.009 17.382 1.00 41.46 C ATOM 502 O GLN A 221 22.805 -10.915 16.541 1.00 41.88 O ATOM 503 CB GLN A 221 22.550 -7.622 16.551 1.00 37.33 C ATOM 504 CG GLN A 221 21.524 -6.673 15.971 1.00 37.69 C ATOM 505 CD GLN A 221 22.165 -5.557 15.219 1.00 46.08 C ATOM 506 OE1 GLN A 221 22.560 -5.713 14.061 1.00 43.11 O ATOM 507 NE2 GLN A 221 22.246 -4.396 15.847 1.00 32.13 N ATOM 508 HE22 GLN A 221 21.901 -4.308 16.824 1.00 0.00 H ATOM 509 HE21 GLN A 221 22.655 -3.571 15.364 1.00 0.00 H ATOM 510 H GLN A 221 21.512 -7.449 18.935 1.00 0.00 H ATOM 511 N ARG A 222 23.700 -10.025 18.450 1.00 36.15 N ATOM 512 CA ARG A 222 24.646 -11.096 18.771 1.00 35.12 C ATOM 513 C ARG A 222 23.893 -12.342 19.250 1.00 38.32 C ATOM 514 O ARG A 222 24.171 -13.446 18.773 1.00 38.00 O ATOM 515 CB ARG A 222 25.636 -10.648 19.857 1.00 34.32 C ATOM 516 CG ARG A 222 26.708 -9.692 19.371 1.00 45.45 C ATOM 517 CD ARG A 222 27.749 -9.423 20.433 1.00 50.25 C ATOM 518 NE ARG A 222 27.623 -8.057 20.935 1.00 59.72 N ATOM 519 CZ ARG A 222 27.113 -7.728 22.120 1.00 77.84 C ATOM 520 NH1 ARG A 222 26.677 -8.672 22.949 1.00 65.97 N ATOM 521 NH2 ARG A 222 27.029 -6.451 22.482 1.00 65.09 N ATOM 522 HE ARG A 222 27.956 -7.285 20.322 1.00 0.00 H ATOM 523 HH12 ARG A 222 26.280 -8.409 23.873 1.00 0.00 H ATOM 524 HH11 ARG A 222 26.733 -9.673 22.673 1.00 0.00 H ATOM 525 HH22 ARG A 222 26.630 -6.198 23.409 1.00 0.00 H ATOM 526 HH21 ARG A 222 27.362 -5.705 21.839 1.00 0.00 H ATOM 527 H ARG A 222 23.668 -9.209 19.094 1.00 0.00 H ATOM 528 N ASN A 223 22.933 -12.164 20.177 1.00 34.15 N ATOM 529 CA ASN A 223 22.163 -13.269 20.729 1.00 34.00 C ATOM 530 C ASN A 223 21.257 -13.968 19.716 1.00 39.40 C ATOM 531 O ASN A 223 21.049 -15.177 19.829 1.00 39.40 O ATOM 532 CB ASN A 223 21.375 -12.821 21.951 1.00 34.16 C ATOM 533 CG ASN A 223 22.229 -12.448 23.153 1.00 66.65 C ATOM 534 OD1 ASN A 223 21.774 -11.744 24.052 1.00 61.38 O ATOM 535 ND2 ASN A 223 23.489 -12.886 23.203 1.00 59.31 N ATOM 536 HD22 ASN A 223 23.863 -13.481 22.437 1.00 0.00 H ATOM 537 HD21 ASN A 223 24.096 -12.632 24.008 1.00 0.00 H ATOM 538 H ASN A 223 22.734 -11.200 20.512 1.00 0.00 H ATOM 539 N HIS A 224 20.711 -13.223 18.733 1.00 36.17 N ATOM 540 CA HIS A 224 19.799 -13.810 17.750 1.00 34.78 C ATOM 541 C HIS A 224 20.362 -13.824 16.328 1.00 36.23 C ATOM 542 O HIS A 224 19.592 -13.914 15.364 1.00 35.49 O ATOM 543 CB HIS A 224 18.428 -13.117 17.822 1.00 35.53 C ATOM 544 CG HIS A 224 17.765 -13.231 19.160 1.00 39.11 C ATOM 545 ND1 HIS A 224 17.649 -14.446 19.810 1.00 40.97 N ATOM 546 CD2 HIS A 224 17.181 -12.276 19.917 1.00 41.25 C ATOM 547 CE1 HIS A 224 17.024 -14.187 20.945 1.00 40.29 C ATOM 548 NE2 HIS A 224 16.711 -12.898 21.047 1.00 40.80 N ATOM 549 H HIS A 224 20.943 -12.211 18.672 1.00 0.00 H ATOM 550 N GLU A 225 21.706 -13.814 16.209 1.00 32.40 N ATOM 551 CA GLU A 225 22.440 -13.798 14.944 1.00 32.96 C ATOM 552 C GLU A 225 21.925 -14.820 13.924 1.00 36.04 C ATOM 553 O GLU A 225 21.615 -14.414 12.805 1.00 36.09 O ATOM 554 CB GLU A 225 23.953 -13.933 15.168 1.00 34.33 C ATOM 555 CG GLU A 225 24.763 -13.762 13.888 1.00 45.60 C ATOM 556 CD GLU A 225 26.204 -13.324 14.047 1.00 76.15 C ATOM 557 OE1 GLU A 225 26.687 -12.572 13.169 1.00 86.55 O ATOM 558 OE2 GLU A 225 26.848 -13.717 15.048 1.00 72.73 O ATOM 559 H GLU A 225 22.264 -13.818 17.086 1.00 0.00 H ATOM 560 N THR A 226 21.782 -16.108 14.324 1.00 30.81 N ATOM 561 CA THR A 226 21.284 -17.191 13.461 1.00 30.47 C ATOM 562 C THR A 226 19.841 -16.910 12.974 1.00 32.67 C ATOM 563 O THR A 226 19.579 -17.026 11.777 1.00 32.66 O ATOM 564 CB THR A 226 21.458 -18.575 14.149 1.00 39.42 C ATOM 565 OG1 THR A 226 22.833 -18.752 14.508 1.00 39.80 O ATOM 566 CG2 THR A 226 21.019 -19.753 13.253 1.00 33.52 C ATOM 567 HG1 THR A 226 22.948 -19.632 14.946 1.00 0.00 H ATOM 568 H THR A 226 22.041 -16.345 15.303 1.00 0.00 H ATOM 569 N ALA A 227 18.934 -16.522 13.886 1.00 28.65 N ATOM 570 CA ALA A 227 17.536 -16.176 13.575 1.00 29.46 C ATOM 571 C ALA A 227 17.453 -14.996 12.608 1.00 32.70 C ATOM 572 O ALA A 227 16.711 -15.068 11.632 1.00 33.02 O ATOM 573 CB ALA A 227 16.772 -15.841 14.852 1.00 30.74 C ATOM 574 H ALA A 227 19.239 -16.462 14.878 1.00 0.00 H ATOM 575 N PHE A 228 18.252 -13.934 12.855 1.00 26.96 N ATOM 576 CA PHE A 228 18.322 -12.736 12.026 1.00 24.97 C ATOM 577 C PHE A 228 18.839 -13.058 10.626 1.00 29.66 C ATOM 578 O PHE A 228 18.294 -12.548 9.640 1.00 29.18 O ATOM 579 CB PHE A 228 19.181 -11.672 12.712 1.00 25.51 C ATOM 580 CG PHE A 228 18.528 -10.889 13.834 1.00 25.18 C ATOM 581 CD1 PHE A 228 17.255 -11.225 14.299 1.00 26.72 C ATOM 582 CD2 PHE A 228 19.175 -9.805 14.411 1.00 24.79 C ATOM 583 CE1 PHE A 228 16.651 -10.494 15.327 1.00 27.03 C ATOM 584 CE2 PHE A 228 18.577 -9.085 15.450 1.00 27.49 C ATOM 585 CZ PHE A 228 17.321 -9.437 15.906 1.00 25.56 C ATOM 586 H PHE A 228 18.861 -13.974 13.697 1.00 0.00 H ATOM 587 N GLN A 229 19.866 -13.941 10.548 1.00 26.72 N ATOM 588 CA GLN A 229 20.444 -14.461 9.307 1.00 26.30 C ATOM 589 C GLN A 229 19.380 -15.238 8.513 1.00 30.12 C ATOM 590 O GLN A 229 19.250 -15.009 7.308 1.00 31.26 O ATOM 591 CB GLN A 229 21.652 -15.362 9.602 1.00 27.66 C ATOM 592 CG GLN A 229 22.953 -14.604 9.870 1.00 36.71 C ATOM 593 CD GLN A 229 24.145 -15.484 10.234 1.00 59.94 C ATOM 594 OE1 GLN A 229 24.021 -16.651 10.653 1.00 56.80 O ATOM 595 NE2 GLN A 229 25.341 -14.924 10.109 1.00 45.86 N ATOM 596 HE22 GLN A 229 25.424 -13.949 9.757 1.00 0.00 H ATOM 597 HE21 GLN A 229 26.195 -15.460 10.363 1.00 0.00 H ATOM 598 H GLN A 229 20.276 -14.276 11.443 1.00 0.00 H ATOM 599 N GLY A 230 18.611 -16.102 9.205 1.00 24.87 N ATOM 600 CA GLY A 230 17.530 -16.892 8.619 1.00 23.29 C ATOM 601 C GLY A 230 16.437 -16.014 8.043 1.00 28.48 C ATOM 602 O GLY A 230 16.077 -16.170 6.875 1.00 28.56 O ATOM 603 H GLY A 230 18.799 -16.214 10.222 1.00 0.00 H ATOM 604 N MET A 231 15.932 -15.040 8.849 1.00 25.58 N ATOM 605 CA MET A 231 14.904 -14.088 8.423 1.00 23.93 C ATOM 606 C MET A 231 15.374 -13.222 7.240 1.00 28.79 C ATOM 607 O MET A 231 14.598 -13.018 6.302 1.00 28.87 O ATOM 608 CB MET A 231 14.396 -13.238 9.607 1.00 25.05 C ATOM 609 CG MET A 231 13.193 -12.345 9.253 1.00 26.17 C ATOM 610 SD MET A 231 11.638 -13.252 9.134 1.00 26.68 S ATOM 611 CE MET A 231 11.397 -13.172 7.583 1.00 22.42 C ATOM 612 H MET A 231 16.296 -14.968 9.820 1.00 0.00 H ATOM 613 N LEU A 232 16.645 -12.771 7.248 1.00 26.32 N ATOM 614 CA LEU A 232 17.216 -11.984 6.146 1.00 26.96 C ATOM 615 C LEU A 232 17.143 -12.786 4.837 1.00 30.51 C ATOM 616 O LEU A 232 16.672 -12.255 3.829 1.00 30.08 O ATOM 617 CB LEU A 232 18.689 -11.608 6.429 1.00 27.22 C ATOM 618 CG LEU A 232 19.204 -10.174 6.133 1.00 31.67 C ATOM 619 CD1 LEU A 232 20.660 -10.215 5.742 1.00 31.54 C ATOM 620 CD2 LEU A 232 18.408 -9.451 5.056 1.00 34.33 C ATOM 621 H LEU A 232 17.246 -12.989 8.068 1.00 0.00 H ATOM 622 N ARG A 233 17.589 -14.060 4.866 1.00 27.60 N ATOM 623 CA ARG A 233 17.551 -14.976 3.719 1.00 28.65 C ATOM 624 C ARG A 233 16.126 -15.137 3.185 1.00 32.28 C ATOM 625 O ARG A 233 15.918 -14.975 1.987 1.00 30.52 O ATOM 626 CB ARG A 233 18.150 -16.337 4.085 1.00 30.00 C ATOM 627 CG ARG A 233 19.622 -16.467 3.717 1.00 38.90 C ATOM 628 CD ARG A 233 20.204 -17.817 4.117 1.00 42.36 C ATOM 629 NE ARG A 233 19.462 -18.951 3.553 1.00 54.69 N ATOM 630 CZ ARG A 233 19.702 -19.509 2.368 1.00 70.25 C ATOM 631 NH1 ARG A 233 20.663 -19.036 1.584 1.00 57.83 N ATOM 632 NH2 ARG A 233 18.967 -20.527 1.947 1.00 58.05 N ATOM 633 HE ARG A 233 18.689 -19.350 4.123 1.00 0.00 H ATOM 634 HH12 ARG A 233 20.844 -19.477 0.660 1.00 0.00 H ATOM 635 HH11 ARG A 233 21.234 -18.224 1.894 1.00 0.00 H ATOM 636 HH22 ARG A 233 19.159 -20.959 1.021 1.00 0.00 H ATOM 637 HH21 ARG A 233 18.198 -20.895 2.543 1.00 0.00 H ATOM 638 H ARG A 233 17.985 -14.416 5.759 1.00 0.00 H ATOM 639 N LYS A 234 15.148 -15.382 4.088 1.00 29.99 N ATOM 640 CA LYS A 234 13.718 -15.515 3.776 1.00 30.70 C ATOM 641 C LYS A 234 13.183 -14.281 3.054 1.00 36.43 C ATOM 642 O LYS A 234 12.472 -14.424 2.056 1.00 35.79 O ATOM 643 CB LYS A 234 12.897 -15.730 5.053 1.00 33.23 C ATOM 644 CG LYS A 234 12.598 -17.181 5.362 1.00 35.09 C ATOM 645 CD LYS A 234 11.890 -17.288 6.701 1.00 37.41 C ATOM 646 CE LYS A 234 12.114 -18.624 7.344 1.00 34.58 C ATOM 647 NZ LYS A 234 11.139 -18.839 8.454 1.00 41.02 N ATOM 648 HZ1 LYS A 234 11.260 -18.094 9.169 1.00 0.00 H ATOM 649 HZ2 LYS A 234 10.171 -18.803 8.075 1.00 0.00 H ATOM 650 HZ3 LYS A 234 11.309 -19.769 8.888 1.00 0.00 H ATOM 651 H LYS A 234 15.431 -15.484 5.083 1.00 0.00 H ATOM 652 N LEU A 235 13.534 -13.073 3.549 1.00 33.99 N ATOM 653 CA LEU A 235 13.081 -11.810 2.962 1.00 34.19 C ATOM 654 C LEU A 235 13.614 -11.585 1.546 1.00 39.39 C ATOM 655 O LEU A 235 12.931 -10.948 0.740 1.00 37.69 O ATOM 656 CB LEU A 235 13.383 -10.613 3.877 1.00 34.04 C ATOM 657 CG LEU A 235 12.668 -10.587 5.236 1.00 37.91 C ATOM 658 CD1 LEU A 235 13.247 -9.492 6.143 1.00 37.51 C ATOM 659 CD2 LEU A 235 11.160 -10.429 5.080 1.00 39.38 C ATOM 660 H LEU A 235 14.153 -13.039 4.384 1.00 0.00 H ATOM 661 N ASP A 236 14.820 -12.140 1.237 1.00 37.26 N ATOM 662 CA ASP A 236 15.447 -12.095 -0.090 1.00 37.18 C ATOM 663 C ASP A 236 15.432 -10.663 -0.701 1.00 41.60 C ATOM 664 O ASP A 236 14.959 -10.448 -1.824 1.00 41.01 O ATOM 665 CB ASP A 236 14.785 -13.166 -0.997 1.00 39.11 C ATOM 666 CG ASP A 236 15.395 -13.372 -2.369 1.00 55.07 C ATOM 667 OD1 ASP A 236 16.627 -13.556 -2.452 1.00 57.86 O ATOM 668 OD2 ASP A 236 14.636 -13.408 -3.350 1.00 61.45 O ATOM 669 H ASP A 236 15.333 -12.631 1.996 1.00 0.00 H ATOM 670 N ILE A 237 15.930 -9.686 0.081 1.00 40.32 N ATOM 671 CA ILE A 237 15.999 -8.260 -0.280 1.00 41.63 C ATOM 672 C ILE A 237 17.071 -8.013 -1.351 1.00 47.53 C ATOM 673 O ILE A 237 18.261 -8.289 -1.132 1.00 48.31 O ATOM 674 CB ILE A 237 16.151 -7.334 0.962 1.00 45.03 C ATOM 675 CG1 ILE A 237 15.089 -7.668 2.027 1.00 45.29 C ATOM 676 CG2 ILE A 237 16.048 -5.857 0.552 1.00 45.73 C ATOM 677 CD1 ILE A 237 15.551 -7.468 3.437 1.00 53.00 C ATOM 678 H ILE A 237 16.295 -9.961 1.015 1.00 0.00 H ATOM 679 N LYS A 238 16.620 -7.514 -2.510 1.00 44.01 N ATOM 680 CA LYS A 238 17.459 -7.261 -3.681 1.00 44.93 C ATOM 681 C LYS A 238 17.395 -5.801 -4.136 1.00 51.10 C ATOM 682 O LYS A 238 18.406 -5.267 -4.596 1.00 52.19 O ATOM 683 CB LYS A 238 17.053 -8.178 -4.868 1.00 46.05 C ATOM 684 CG LYS A 238 17.065 -9.673 -4.584 1.00 54.84 C ATOM 685 CD LYS A 238 18.306 -10.381 -5.138 1.00 67.75 C ATOM 686 CE LYS A 238 18.228 -11.879 -4.947 1.00 76.34 C ATOM 687 NZ LYS A 238 19.546 -12.540 -5.132 1.00 81.46 N ATOM 688 HZ1 LYS A 238 19.893 -12.355 -6.095 1.00 0.00 H ATOM 689 HZ2 LYS A 238 20.223 -12.161 -4.439 1.00 0.00 H ATOM 690 HZ3 LYS A 238 19.441 -13.565 -4.991 1.00 0.00 H ATOM 691 H LYS A 238 15.607 -7.292 -2.582 1.00 0.00 H ATOM 692 N ASN A 239 16.201 -5.191 -4.055 1.00 47.25 N ATOM 693 CA ASN A 239 15.906 -3.837 -4.530 1.00 46.82 C ATOM 694 C ASN A 239 14.957 -3.045 -3.604 1.00 48.85 C ATOM 695 O ASN A 239 14.439 -3.581 -2.622 1.00 48.70 O ATOM 696 CB ASN A 239 15.298 -3.917 -5.960 1.00 46.82 C ATOM 697 CG ASN A 239 14.173 -4.932 -6.120 1.00 62.80 C ATOM 698 OD1 ASN A 239 14.328 -5.979 -6.753 1.00 60.82 O ATOM 699 ND2 ASN A 239 13.025 -4.666 -5.537 1.00 48.93 N ATOM 700 HD22 ASN A 239 12.905 -3.780 -5.006 1.00 0.00 H ATOM 701 HD21 ASN A 239 12.237 -5.341 -5.607 1.00 0.00 H ATOM 702 H ASN A 239 15.422 -5.724 -3.619 1.00 0.00 H ATOM 703 N GLU A 240 14.708 -1.775 -3.973 1.00 43.47 N ATOM 704 CA GLU A 240 13.817 -0.815 -3.318 1.00 43.07 C ATOM 705 C GLU A 240 12.366 -1.298 -3.183 1.00 47.05 C ATOM 706 O GLU A 240 11.663 -0.858 -2.278 1.00 46.21 O ATOM 707 CB GLU A 240 13.866 0.543 -4.055 1.00 44.45 C ATOM 708 CG GLU A 240 13.496 0.472 -5.539 1.00 55.38 C ATOM 709 CD GLU A 240 13.755 1.717 -6.367 1.00 71.32 C ATOM 710 OE1 GLU A 240 14.920 2.174 -6.406 1.00 63.23 O ATOM 711 OE2 GLU A 240 12.807 2.195 -7.032 1.00 60.69 O ATOM 712 H GLU A 240 15.206 -1.436 -4.821 1.00 0.00 H ATOM 713 N ASP A 241 11.909 -2.153 -4.113 1.00 44.14 N ATOM 714 CA ASP A 241 10.553 -2.699 -4.126 1.00 44.02 C ATOM 715 C ASP A 241 10.388 -3.767 -3.048 1.00 46.84 C ATOM 716 O ASP A 241 9.331 -3.827 -2.412 1.00 46.62 O ATOM 717 CB ASP A 241 10.195 -3.238 -5.514 1.00 46.15 C ATOM 718 CG ASP A 241 10.167 -2.167 -6.600 1.00 54.01 C ATOM 719 OD1 ASP A 241 9.411 -1.181 -6.444 1.00 52.47 O ATOM 720 OD2 ASP A 241 10.889 -2.325 -7.608 1.00 60.60 O ATOM 721 H ASP A 241 12.560 -2.444 -4.870 1.00 0.00 H ATOM 722 N ASP A 242 11.451 -4.568 -2.809 1.00 41.83 N ATOM 723 CA ASP A 242 11.494 -5.594 -1.763 1.00 41.53 C ATOM 724 C ASP A 242 11.387 -4.951 -0.364 1.00 43.71 C ATOM 725 O ASP A 242 10.676 -5.480 0.496 1.00 42.64 O ATOM 726 CB ASP A 242 12.776 -6.454 -1.875 1.00 43.37 C ATOM 727 CG ASP A 242 12.878 -7.306 -3.129 1.00 53.31 C ATOM 728 OD1 ASP A 242 11.827 -7.686 -3.673 1.00 54.06 O ATOM 729 OD2 ASP A 242 14.014 -7.647 -3.525 1.00 59.36 O ATOM 730 H ASP A 242 12.294 -4.448 -3.407 1.00 0.00 H ATOM 731 N VAL A 243 12.053 -3.790 -0.167 1.00 39.08 N ATOM 732 CA VAL A 243 12.054 -3.022 1.087 1.00 39.13 C ATOM 733 C VAL A 243 10.629 -2.572 1.476 1.00 44.81 C ATOM 734 O VAL A 243 10.259 -2.655 2.643 1.00 44.52 O ATOM 735 CB VAL A 243 13.077 -1.845 1.030 1.00 42.86 C ATOM 736 CG1 VAL A 243 13.074 -1.025 2.308 1.00 42.29 C ATOM 737 CG2 VAL A 243 14.486 -2.349 0.730 1.00 42.62 C ATOM 738 H VAL A 243 12.606 -3.412 -0.963 1.00 0.00 H ATOM 739 N LYS A 244 9.824 -2.131 0.495 1.00 43.51 N ATOM 740 CA LYS A 244 8.443 -1.680 0.740 1.00 43.62 C ATOM 741 C LYS A 244 7.463 -2.829 0.988 1.00 47.08 C ATOM 742 O LYS A 244 6.492 -2.645 1.726 1.00 46.80 O ATOM 743 CB LYS A 244 7.945 -0.752 -0.384 1.00 46.56 C ATOM 744 CG LYS A 244 8.927 0.371 -0.757 1.00 57.10 C ATOM 745 CD LYS A 244 9.144 1.453 0.325 1.00 58.43 C ATOM 746 CE LYS A 244 10.233 2.424 -0.053 1.00 59.84 C ATOM 747 NZ LYS A 244 11.588 1.808 -0.014 1.00 66.01 N ATOM 748 HZ1 LYS A 244 11.784 1.466 0.948 1.00 0.00 H ATOM 749 HZ2 LYS A 244 11.624 1.011 -0.681 1.00 0.00 H ATOM 750 HZ3 LYS A 244 12.298 2.519 -0.282 1.00 0.00 H ATOM 751 H LYS A 244 10.191 -2.107 -0.478 1.00 0.00 H ATOM 752 N SER A 245 7.706 -4.004 0.378 1.00 43.70 N ATOM 753 CA SER A 245 6.878 -5.208 0.561 1.00 44.03 C ATOM 754 C SER A 245 7.056 -5.831 1.977 1.00 48.39 C ATOM 755 O SER A 245 6.266 -6.695 2.367 1.00 48.60 O ATOM 756 CB SER A 245 7.211 -6.247 -0.510 1.00 48.50 C ATOM 757 OG SER A 245 8.462 -6.878 -0.267 1.00 57.89 O ATOM 758 HG SER A 245 9.179 -6.196 -0.263 1.00 0.00 H ATOM 759 H SER A 245 8.526 -4.065 -0.259 1.00 0.00 H ATOM 760 N LEU A 246 8.114 -5.404 2.712 1.00 44.50 N ATOM 761 CA LEU A 246 8.507 -5.859 4.058 1.00 43.95 C ATOM 762 C LEU A 246 7.416 -5.658 5.085 1.00 47.19 C ATOM 763 O LEU A 246 7.076 -6.612 5.782 1.00 47.52 O ATOM 764 CB LEU A 246 9.797 -5.142 4.517 1.00 43.57 C ATOM 765 CG LEU A 246 11.128 -5.903 4.481 1.00 48.34 C ATOM 766 CD1 LEU A 246 11.179 -6.969 3.391 1.00 49.00 C ATOM 767 CD2 LEU A 246 12.291 -4.944 4.337 1.00 50.49 C ATOM 768 H LEU A 246 8.714 -4.675 2.277 1.00 0.00 H ATOM 769 N SER A 247 6.851 -4.427 5.165 1.00 42.44 N ATOM 770 CA SER A 247 5.766 -4.057 6.081 1.00 40.64 C ATOM 771 C SER A 247 4.752 -5.184 6.278 1.00 42.52 C ATOM 772 O SER A 247 4.473 -5.496 7.420 1.00 41.82 O ATOM 773 CB SER A 247 5.096 -2.751 5.663 1.00 41.40 C ATOM 774 OG SER A 247 4.424 -2.862 4.421 1.00 44.16 O ATOM 775 HG SER A 247 5.073 -3.112 3.717 1.00 0.00 H ATOM 776 H SER A 247 7.215 -3.689 4.528 1.00 0.00 H ATOM 777 N ARG A 248 4.311 -5.872 5.194 1.00 38.90 N ATOM 778 CA ARG A 248 3.391 -7.026 5.253 1.00 38.74 C ATOM 779 C ARG A 248 3.816 -8.144 6.275 1.00 39.78 C ATOM 780 O ARG A 248 2.971 -8.582 7.061 1.00 36.55 O ATOM 781 CB ARG A 248 3.165 -7.629 3.850 1.00 40.73 C ATOM 782 CG ARG A 248 1.967 -7.062 3.080 1.00 61.28 C ATOM 783 CD ARG A 248 0.641 -7.725 3.474 1.00 83.22 C ATOM 784 NE ARG A 248 -0.451 -7.518 2.506 1.00 96.13 N ATOM 785 CZ ARG A 248 -1.248 -6.449 2.463 1.00108.04 C ATOM 786 NH1 ARG A 248 -1.053 -5.432 3.291 1.00 96.95 N ATOM 787 NH2 ARG A 248 -2.222 -6.376 1.565 1.00 89.56 N ATOM 788 HE ARG A 248 -0.613 -8.265 1.800 1.00 0.00 H ATOM 789 HH12 ARG A 248 -1.678 -4.602 3.252 1.00 0.00 H ATOM 790 HH11 ARG A 248 -0.275 -5.464 3.980 1.00 0.00 H ATOM 791 HH22 ARG A 248 -2.841 -5.541 1.536 1.00 0.00 H ATOM 792 HH21 ARG A 248 -2.367 -7.154 0.891 1.00 0.00 H ATOM 793 H ARG A 248 4.644 -5.565 4.258 1.00 0.00 H ATOM 794 N VAL A 249 5.110 -8.588 6.263 1.00 36.81 N ATOM 795 CA VAL A 249 5.655 -9.610 7.194 1.00 36.79 C ATOM 796 C VAL A 249 5.850 -8.993 8.561 1.00 38.04 C ATOM 797 O VAL A 249 5.579 -9.633 9.577 1.00 39.57 O ATOM 798 CB VAL A 249 6.996 -10.269 6.756 1.00 42.20 C ATOM 799 CG1 VAL A 249 6.998 -11.771 7.058 1.00 42.52 C ATOM 800 CG2 VAL A 249 7.328 -10.000 5.292 1.00 42.04 C ATOM 801 H VAL A 249 5.755 -8.183 5.555 1.00 0.00 H ATOM 802 N MET A 250 6.333 -7.743 8.573 1.00 30.93 N ATOM 803 CA MET A 250 6.634 -6.953 9.762 1.00 28.71 C ATOM 804 C MET A 250 5.378 -6.844 10.626 1.00 37.40 C ATOM 805 O MET A 250 5.416 -7.238 11.793 1.00 37.97 O ATOM 806 CB MET A 250 7.146 -5.569 9.337 1.00 28.25 C ATOM 807 CG MET A 250 8.069 -4.896 10.332 1.00 27.48 C ATOM 808 SD MET A 250 8.154 -3.115 10.048 1.00 26.23 S ATOM 809 CE MET A 250 9.027 -3.023 8.593 1.00 22.71 C ATOM 810 H MET A 250 6.509 -7.295 7.651 1.00 0.00 H ATOM 811 N ILE A 251 4.247 -6.416 10.035 1.00 35.67 N ATOM 812 CA ILE A 251 3.001 -6.304 10.789 1.00 36.56 C ATOM 813 C ILE A 251 2.522 -7.730 11.211 1.00 42.38 C ATOM 814 O ILE A 251 2.096 -7.891 12.352 1.00 42.99 O ATOM 815 CB ILE A 251 1.863 -5.396 10.177 1.00 39.46 C ATOM 816 CG1 ILE A 251 0.545 -6.152 9.981 1.00 39.90 C ATOM 817 CG2 ILE A 251 2.230 -4.627 8.922 1.00 39.56 C ATOM 818 CD1 ILE A 251 -0.411 -5.847 11.127 1.00 53.38 C ATOM 819 H ILE A 251 4.260 -6.161 9.027 1.00 0.00 H ATOM 820 N HIS A 252 2.659 -8.749 10.342 1.00 39.33 N ATOM 821 CA HIS A 252 2.260 -10.125 10.663 1.00 39.72 C ATOM 822 C HIS A 252 2.960 -10.667 11.925 1.00 42.93 C ATOM 823 O HIS A 252 2.285 -10.995 12.905 1.00 42.57 O ATOM 824 CB HIS A 252 2.455 -11.074 9.460 1.00 40.92 C ATOM 825 CG HIS A 252 2.136 -12.516 9.779 1.00 45.08 C ATOM 826 ND1 HIS A 252 3.056 -13.532 9.558 1.00 46.81 N ATOM 827 CD2 HIS A 252 1.045 -13.053 10.380 1.00 46.96 C ATOM 828 CE1 HIS A 252 2.483 -14.642 9.997 1.00 46.07 C ATOM 829 NE2 HIS A 252 1.272 -14.403 10.495 1.00 46.49 N ATOM 830 H HIS A 252 3.064 -8.553 9.404 1.00 0.00 H ATOM 831 N VAL A 253 4.308 -10.716 11.899 1.00 38.17 N ATOM 832 CA VAL A 253 5.138 -11.206 12.998 1.00 36.98 C ATOM 833 C VAL A 253 4.974 -10.368 14.280 1.00 41.19 C ATOM 834 O VAL A 253 4.778 -10.943 15.353 1.00 41.19 O ATOM 835 CB VAL A 253 6.629 -11.347 12.566 1.00 39.45 C ATOM 836 CG1 VAL A 253 7.481 -11.900 13.704 1.00 38.57 C ATOM 837 CG2 VAL A 253 6.778 -12.226 11.317 1.00 38.57 C ATOM 838 H VAL A 253 4.789 -10.383 11.039 1.00 0.00 H ATOM 839 N PHE A 254 5.031 -9.027 14.161 1.00 38.02 N ATOM 840 CA PHE A 254 5.002 -8.104 15.300 1.00 37.66 C ATOM 841 C PHE A 254 3.629 -7.890 15.950 1.00 44.18 C ATOM 842 O PHE A 254 3.588 -7.655 17.168 1.00 44.25 O ATOM 843 CB PHE A 254 5.629 -6.751 14.921 1.00 38.52 C ATOM 844 CG PHE A 254 5.912 -5.799 16.067 1.00 38.53 C ATOM 845 CD1 PHE A 254 6.875 -6.106 17.035 1.00 40.79 C ATOM 846 CD2 PHE A 254 5.268 -4.570 16.145 1.00 39.31 C ATOM 847 CE1 PHE A 254 7.144 -5.219 18.094 1.00 41.04 C ATOM 848 CE2 PHE A 254 5.553 -3.678 17.193 1.00 41.57 C ATOM 849 CZ PHE A 254 6.484 -4.012 18.166 1.00 39.14 C ATOM 850 H PHE A 254 5.100 -8.623 13.205 1.00 0.00 H ATOM 851 N SER A 255 2.519 -7.949 15.173 1.00 42.35 N ATOM 852 CA SER A 255 1.182 -7.716 15.745 1.00 42.68 C ATOM 853 C SER A 255 0.593 -8.927 16.477 1.00 48.28 C ATOM 854 O SER A 255 -0.280 -8.741 17.322 1.00 48.18 O ATOM 855 CB SER A 255 0.209 -7.168 14.706 1.00 45.84 C ATOM 856 OG SER A 255 -0.204 -8.133 13.753 1.00 55.81 O ATOM 857 HG SER A 255 0.588 -8.475 13.267 1.00 0.00 H ATOM 858 H SER A 255 2.613 -8.162 14.159 1.00 0.00 H ATOM 859 N ASP A 256 1.071 -10.150 16.185 1.00 47.67 N ATOM 860 CA ASP A 256 0.591 -11.340 16.886 1.00 48.94 C ATOM 861 C ASP A 256 1.447 -11.597 18.133 1.00 51.79 C ATOM 862 O ASP A 256 2.666 -11.471 18.075 1.00 50.43 O ATOM 863 CB ASP A 256 0.510 -12.568 15.954 1.00 52.07 C ATOM 864 CG ASP A 256 1.724 -13.473 15.942 1.00 71.13 C ATOM 865 OD1 ASP A 256 1.703 -14.504 16.656 1.00 72.61 O ATOM 866 OD2 ASP A 256 2.706 -13.137 15.239 1.00 80.63 O ATOM 867 H ASP A 256 1.796 -10.251 15.446 1.00 0.00 H ATOM 868 N GLY A 257 0.794 -11.932 19.238 1.00 47.87 N ATOM 869 CA GLY A 257 1.466 -12.217 20.496 1.00 47.24 C ATOM 870 C GLY A 257 1.536 -11.040 21.444 1.00 50.28 C ATOM 871 O GLY A 257 0.856 -10.023 21.251 1.00 50.45 O ATOM 872 H GLY A 257 -0.244 -11.994 19.203 1.00 0.00 H ATOM 873 N VAL A 258 2.392 -11.179 22.460 1.00 45.29 N ATOM 874 CA VAL A 258 2.580 -10.191 23.511 1.00 44.48 C ATOM 875 C VAL A 258 3.326 -8.935 23.060 1.00 45.50 C ATOM 876 O VAL A 258 4.032 -8.940 22.054 1.00 45.64 O ATOM 877 CB VAL A 258 3.224 -10.757 24.799 1.00 49.14 C ATOM 878 CG1 VAL A 258 2.464 -10.274 26.021 1.00 49.20 C ATOM 879 CG2 VAL A 258 3.389 -12.272 24.786 1.00 49.08 C ATOM 880 H VAL A 258 2.960 -12.049 22.502 1.00 0.00 H ATOM 881 N THR A 259 3.154 -7.855 23.829 1.00 39.33 N ATOM 882 CA THR A 259 3.785 -6.556 23.673 1.00 37.92 C ATOM 883 C THR A 259 4.619 -6.238 24.933 1.00 38.67 C ATOM 884 O THR A 259 4.096 -6.211 26.045 1.00 37.17 O ATOM 885 CB THR A 259 2.760 -5.475 23.263 1.00 46.77 C ATOM 886 OG1 THR A 259 3.228 -4.187 23.661 1.00 53.50 O ATOM 887 CG2 THR A 259 1.389 -5.704 23.852 1.00 48.69 C ATOM 888 HG1 THR A 259 3.347 -4.169 24.644 1.00 0.00 H ATOM 889 H THR A 259 2.495 -7.956 24.627 1.00 0.00 H ATOM 890 N ASN A 260 5.924 -6.044 24.747 1.00 34.30 N ATOM 891 CA ASN A 260 6.882 -5.687 25.811 1.00 33.85 C ATOM 892 C ASN A 260 8.076 -4.958 25.178 1.00 37.48 C ATOM 893 O ASN A 260 8.195 -4.990 23.951 1.00 36.22 O ATOM 894 CB ASN A 260 7.330 -6.924 26.617 1.00 29.13 C ATOM 895 CG ASN A 260 7.889 -8.066 25.791 1.00 41.11 C ATOM 896 OD1 ASN A 260 8.872 -7.925 25.062 1.00 33.70 O ATOM 897 ND2 ASN A 260 7.288 -9.239 25.904 1.00 30.13 N ATOM 898 HD22 ASN A 260 6.459 -9.341 26.524 1.00 0.00 H ATOM 899 HD21 ASN A 260 7.644 -10.059 25.373 1.00 0.00 H ATOM 900 H ASN A 260 6.295 -6.152 23.781 1.00 0.00 H ATOM 901 N TRP A 261 8.950 -4.306 26.000 1.00 34.20 N ATOM 902 CA TRP A 261 10.127 -3.579 25.508 1.00 33.82 C ATOM 903 C TRP A 261 11.139 -4.470 24.775 1.00 37.60 C ATOM 904 O TRP A 261 11.753 -4.010 23.817 1.00 38.00 O ATOM 905 CB TRP A 261 10.801 -2.758 26.622 1.00 32.86 C ATOM 906 CG TRP A 261 10.065 -1.500 26.999 1.00 34.26 C ATOM 907 CD1 TRP A 261 9.556 -1.189 28.228 1.00 37.38 C ATOM 908 CD2 TRP A 261 9.730 -0.399 26.136 1.00 34.08 C ATOM 909 NE1 TRP A 261 8.938 0.040 28.192 1.00 36.93 N ATOM 910 CE2 TRP A 261 9.031 0.551 26.921 1.00 38.56 C ATOM 911 CE3 TRP A 261 9.953 -0.117 24.772 1.00 35.10 C ATOM 912 CZ2 TRP A 261 8.544 1.757 26.387 1.00 37.51 C ATOM 913 CZ3 TRP A 261 9.479 1.080 24.252 1.00 36.49 C ATOM 914 CH2 TRP A 261 8.780 1.997 25.053 1.00 36.94 C ATOM 915 HE1 TRP A 261 8.475 0.507 28.998 1.00 0.00 H ATOM 916 H TRP A 261 8.773 -4.325 27.025 1.00 0.00 H ATOM 917 N GLY A 262 11.249 -5.736 25.174 1.00 33.98 N ATOM 918 CA GLY A 262 12.140 -6.699 24.542 1.00 33.42 C ATOM 919 C GLY A 262 11.772 -6.961 23.092 1.00 36.30 C ATOM 920 O GLY A 262 12.649 -7.070 22.234 1.00 35.65 O ATOM 921 H GLY A 262 10.669 -6.053 25.977 1.00 0.00 H ATOM 922 N ARG A 263 10.467 -7.049 22.811 1.00 32.68 N ATOM 923 CA ARG A 263 9.964 -7.279 21.459 1.00 32.19 C ATOM 924 C ARG A 263 10.136 -6.054 20.608 1.00 35.01 C ATOM 925 O ARG A 263 10.364 -6.206 19.410 1.00 35.63 O ATOM 926 CB ARG A 263 8.510 -7.752 21.451 1.00 32.38 C ATOM 927 CG ARG A 263 8.326 -9.202 21.914 1.00 37.21 C ATOM 928 CD ARG A 263 7.822 -10.087 20.791 1.00 46.99 C ATOM 929 NE ARG A 263 6.389 -9.896 20.580 1.00 48.29 N ATOM 930 CZ ARG A 263 5.731 -10.118 19.442 1.00 61.17 C ATOM 931 NH1 ARG A 263 6.379 -10.520 18.355 1.00 42.77 N ATOM 932 NH2 ARG A 263 4.427 -9.910 19.375 1.00 55.91 N ATOM 933 HE ARG A 263 5.832 -9.556 21.390 1.00 0.00 H ATOM 934 HH12 ARG A 263 5.857 -10.691 17.472 1.00 0.00 H ATOM 935 HH11 ARG A 263 7.408 -10.664 18.387 1.00 0.00 H ATOM 936 HH22 ARG A 263 3.918 -10.084 18.485 1.00 0.00 H ATOM 937 HH21 ARG A 263 3.911 -9.572 20.212 1.00 0.00 H ATOM 938 H ARG A 263 9.782 -6.950 23.587 1.00 0.00 H ATOM 939 N ILE A 264 10.073 -4.843 21.221 1.00 30.75 N ATOM 940 CA ILE A 264 10.253 -3.560 20.519 1.00 30.06 C ATOM 941 C ILE A 264 11.733 -3.410 20.108 1.00 33.30 C ATOM 942 O ILE A 264 12.009 -3.058 18.960 1.00 33.37 O ATOM 943 CB ILE A 264 9.668 -2.366 21.336 1.00 33.01 C ATOM 944 CG1 ILE A 264 8.135 -2.525 21.458 1.00 33.10 C ATOM 945 CG2 ILE A 264 10.036 -0.993 20.717 1.00 33.38 C ATOM 946 CD1 ILE A 264 7.476 -1.657 22.522 1.00 39.09 C ATOM 947 H ILE A 264 9.887 -4.820 22.244 1.00 0.00 H ATOM 948 N VAL A 265 12.666 -3.753 21.031 1.00 28.67 N ATOM 949 CA VAL A 265 14.113 -3.767 20.791 1.00 28.18 C ATOM 950 C VAL A 265 14.419 -4.720 19.634 1.00 30.28 C ATOM 951 O VAL A 265 15.138 -4.325 18.736 1.00 29.71 O ATOM 952 CB VAL A 265 14.951 -4.098 22.066 1.00 32.10 C ATOM 953 CG1 VAL A 265 16.418 -4.348 21.719 1.00 31.83 C ATOM 954 CG2 VAL A 265 14.851 -2.975 23.087 1.00 31.65 C ATOM 955 H VAL A 265 12.331 -4.026 21.977 1.00 0.00 H ATOM 956 N THR A 266 13.831 -5.941 19.635 1.00 27.15 N ATOM 957 CA THR A 266 13.985 -6.976 18.595 1.00 26.49 C ATOM 958 C THR A 266 13.546 -6.466 17.192 1.00 31.25 C ATOM 959 O THR A 266 14.234 -6.731 16.201 1.00 31.84 O ATOM 960 CB THR A 266 13.275 -8.269 19.034 1.00 31.09 C ATOM 961 OG1 THR A 266 13.764 -8.647 20.322 1.00 31.70 O ATOM 962 CG2 THR A 266 13.485 -9.428 18.059 1.00 29.26 C ATOM 963 HG1 THR A 266 13.576 -7.923 20.971 1.00 0.00 H ATOM 964 H THR A 266 13.216 -6.169 20.442 1.00 0.00 H ATOM 965 N LEU A 267 12.409 -5.755 17.116 1.00 27.97 N ATOM 966 CA LEU A 267 11.892 -5.154 15.878 1.00 28.01 C ATOM 967 C LEU A 267 12.912 -4.131 15.329 1.00 32.43 C ATOM 968 O LEU A 267 13.226 -4.171 14.137 1.00 32.06 O ATOM 969 CB LEU A 267 10.555 -4.455 16.175 1.00 27.97 C ATOM 970 CG LEU A 267 9.939 -3.580 15.051 1.00 32.37 C ATOM 971 CD1 LEU A 267 9.238 -4.451 13.965 1.00 31.52 C ATOM 972 CD2 LEU A 267 8.939 -2.542 15.635 1.00 32.32 C ATOM 973 H LEU A 267 11.859 -5.621 17.989 1.00 0.00 H ATOM 974 N ILE A 268 13.445 -3.248 16.217 1.00 27.64 N ATOM 975 CA ILE A 268 14.409 -2.200 15.886 1.00 27.14 C ATOM 976 C ILE A 268 15.788 -2.780 15.538 1.00 31.97 C ATOM 977 O ILE A 268 16.359 -2.361 14.525 1.00 31.60 O ATOM 978 CB ILE A 268 14.463 -1.096 16.991 1.00 29.76 C ATOM 979 CG1 ILE A 268 13.079 -0.395 17.112 1.00 29.77 C ATOM 980 CG2 ILE A 268 15.566 -0.070 16.705 1.00 28.63 C ATOM 981 CD1 ILE A 268 12.791 0.247 18.452 1.00 30.65 C ATOM 982 H ILE A 268 13.143 -3.325 17.209 1.00 0.00 H ATOM 983 N SER A 269 16.317 -3.735 16.365 1.00 27.65 N ATOM 984 CA SER A 269 17.619 -4.389 16.165 1.00 27.01 C ATOM 985 C SER A 269 17.645 -5.122 14.827 1.00 30.26 C ATOM 986 O SER A 269 18.663 -5.096 14.133 1.00 29.86 O ATOM 987 CB SER A 269 17.931 -5.353 17.304 1.00 30.09 C ATOM 988 OG SER A 269 17.937 -4.660 18.543 1.00 39.95 O ATOM 989 HG SER A 269 17.048 -4.253 18.696 1.00 0.00 H ATOM 990 H SER A 269 15.757 -4.018 17.195 1.00 0.00 H ATOM 991 N PHE A 270 16.510 -5.739 14.443 1.00 26.18 N ATOM 992 CA PHE A 270 16.438 -6.411 13.149 1.00 26.19 C ATOM 993 C PHE A 270 16.428 -5.405 12.009 1.00 28.68 C ATOM 994 O PHE A 270 16.925 -5.701 10.923 1.00 28.78 O ATOM 995 CB PHE A 270 15.289 -7.435 13.052 1.00 27.88 C ATOM 996 CG PHE A 270 15.396 -8.279 11.801 1.00 28.55 C ATOM 997 CD1 PHE A 270 16.490 -9.121 11.600 1.00 30.06 C ATOM 998 CD2 PHE A 270 14.450 -8.169 10.785 1.00 29.95 C ATOM 999 CE1 PHE A 270 16.619 -9.860 10.418 1.00 30.43 C ATOM 1000 CE2 PHE A 270 14.576 -8.919 9.603 1.00 32.33 C ATOM 1001 CZ PHE A 270 15.667 -9.749 9.424 1.00 29.82 C ATOM 1002 H PHE A 270 15.681 -5.736 15.072 1.00 0.00 H ATOM 1003 N GLY A 271 15.933 -4.206 12.288 1.00 25.46 N ATOM 1004 CA GLY A 271 15.943 -3.090 11.341 1.00 24.99 C ATOM 1005 C GLY A 271 17.378 -2.687 11.044 1.00 29.10 C ATOM 1006 O GLY A 271 17.741 -2.491 9.882 1.00 29.14 O ATOM 1007 H GLY A 271 15.516 -4.051 13.228 1.00 0.00 H ATOM 1008 N ALA A 272 18.222 -2.627 12.108 1.00 25.92 N ATOM 1009 CA ALA A 272 19.656 -2.341 12.058 1.00 25.43 C ATOM 1010 C ALA A 272 20.393 -3.435 11.260 1.00 29.78 C ATOM 1011 O ALA A 272 21.194 -3.119 10.368 1.00 29.29 O ATOM 1012 CB ALA A 272 20.217 -2.255 13.469 1.00 26.00 C ATOM 1013 H ALA A 272 17.809 -2.801 13.047 1.00 0.00 H ATOM 1014 N PHE A 273 20.085 -4.720 11.552 1.00 25.61 N ATOM 1015 CA PHE A 273 20.645 -5.875 10.856 1.00 24.66 C ATOM 1016 C PHE A 273 20.327 -5.788 9.344 1.00 29.78 C ATOM 1017 O PHE A 273 21.214 -6.030 8.525 1.00 30.36 O ATOM 1018 CB PHE A 273 20.085 -7.166 11.469 1.00 25.95 C ATOM 1019 CG PHE A 273 20.744 -8.444 10.994 1.00 27.06 C ATOM 1020 CD1 PHE A 273 20.313 -9.078 9.833 1.00 29.17 C ATOM 1021 CD2 PHE A 273 21.788 -9.019 11.717 1.00 28.54 C ATOM 1022 CE1 PHE A 273 20.916 -10.260 9.405 1.00 30.18 C ATOM 1023 CE2 PHE A 273 22.372 -10.214 11.301 1.00 30.75 C ATOM 1024 CZ PHE A 273 21.955 -10.807 10.135 1.00 29.41 C ATOM 1025 H PHE A 273 19.407 -4.896 12.321 1.00 0.00 H ATOM 1026 N VAL A 274 19.075 -5.412 8.981 1.00 26.36 N ATOM 1027 CA VAL A 274 18.643 -5.236 7.582 1.00 25.89 C ATOM 1028 C VAL A 274 19.347 -4.030 6.937 1.00 29.03 C ATOM 1029 O VAL A 274 19.742 -4.107 5.768 1.00 29.12 O ATOM 1030 CB VAL A 274 17.085 -5.167 7.439 1.00 28.43 C ATOM 1031 CG1 VAL A 274 16.654 -4.835 6.010 1.00 26.87 C ATOM 1032 CG2 VAL A 274 16.446 -6.474 7.876 1.00 28.19 C ATOM 1033 H VAL A 274 18.379 -5.238 9.734 1.00 0.00 H ATOM 1034 N ALA A 275 19.495 -2.924 7.693 1.00 25.53 N ATOM 1035 CA ALA A 275 20.136 -1.681 7.219 1.00 24.99 C ATOM 1036 C ALA A 275 21.591 -1.933 6.785 1.00 28.56 C ATOM 1037 O ALA A 275 22.022 -1.397 5.764 1.00 27.81 O ATOM 1038 CB ALA A 275 20.076 -0.612 8.299 1.00 25.74 C ATOM 1039 H ALA A 275 19.136 -2.947 8.669 1.00 0.00 H ATOM 1040 N LYS A 276 22.325 -2.789 7.537 1.00 25.91 N ATOM 1041 CA LYS A 276 23.708 -3.151 7.215 1.00 26.00 C ATOM 1042 C LYS A 276 23.771 -3.924 5.888 1.00 30.64 C ATOM 1043 O LYS A 276 24.638 -3.642 5.068 1.00 31.11 O ATOM 1044 CB LYS A 276 24.373 -3.914 8.375 1.00 28.25 C ATOM 1045 CG LYS A 276 24.526 -3.048 9.627 1.00 36.20 C ATOM 1046 CD LYS A 276 25.340 -3.729 10.708 1.00 41.15 C ATOM 1047 CE LYS A 276 24.496 -4.202 11.853 1.00 48.53 C ATOM 1048 NZ LYS A 276 25.321 -4.767 12.950 1.00 61.04 N ATOM 1049 HZ1 LYS A 276 25.867 -5.576 12.590 1.00 0.00 H ATOM 1050 HZ2 LYS A 276 25.972 -4.037 13.303 1.00 0.00 H ATOM 1051 HZ3 LYS A 276 24.700 -5.082 13.722 1.00 0.00 H ATOM 1052 H LYS A 276 21.886 -3.208 8.382 1.00 0.00 H ATOM 1053 N HIS A 277 22.816 -4.844 5.660 1.00 27.50 N ATOM 1054 CA HIS A 277 22.658 -5.618 4.425 1.00 27.05 C ATOM 1055 C HIS A 277 22.350 -4.688 3.246 1.00 30.28 C ATOM 1056 O HIS A 277 22.890 -4.886 2.161 1.00 28.85 O ATOM 1057 CB HIS A 277 21.556 -6.689 4.583 1.00 28.20 C ATOM 1058 CG HIS A 277 21.186 -7.390 3.298 1.00 32.06 C ATOM 1059 ND1 HIS A 277 22.009 -8.366 2.734 1.00 33.56 N ATOM 1060 CD2 HIS A 277 20.092 -7.234 2.509 1.00 34.09 C ATOM 1061 CE1 HIS A 277 21.384 -8.766 1.635 1.00 33.33 C ATOM 1062 NE2 HIS A 277 20.228 -8.117 1.457 1.00 33.95 N ATOM 1063 H HIS A 277 22.133 -5.021 6.424 1.00 0.00 H ATOM 1064 N LEU A 278 21.488 -3.663 3.468 1.00 28.43 N ATOM 1065 CA LEU A 278 21.134 -2.678 2.438 1.00 28.04 C ATOM 1066 C LEU A 278 22.357 -1.908 1.957 1.00 32.32 C ATOM 1067 O LEU A 278 22.469 -1.675 0.751 1.00 29.18 O ATOM 1068 CB LEU A 278 20.030 -1.708 2.903 1.00 27.89 C ATOM 1069 CG LEU A 278 18.624 -2.298 3.139 1.00 33.27 C ATOM 1070 CD1 LEU A 278 17.651 -1.217 3.550 1.00 33.81 C ATOM 1071 CD2 LEU A 278 18.081 -3.012 1.910 1.00 36.32 C ATOM 1072 H LEU A 278 21.059 -3.571 4.411 1.00 0.00 H ATOM 1073 N LYS A 279 23.302 -1.541 2.889 1.00 30.39 N ATOM 1074 CA LYS A 279 24.539 -0.854 2.489 1.00 30.04 C ATOM 1075 C LYS A 279 25.372 -1.775 1.581 1.00 34.51 C ATOM 1076 O LYS A 279 25.839 -1.343 0.530 1.00 32.60 O ATOM 1077 CB LYS A 279 25.369 -0.384 3.692 1.00 31.12 C ATOM 1078 CG LYS A 279 26.258 0.799 3.318 1.00 33.00 C ATOM 1079 CD LYS A 279 27.411 0.983 4.267 1.00 48.40 C ATOM 1080 CE LYS A 279 28.324 2.102 3.846 1.00 59.00 C ATOM 1081 NZ LYS A 279 29.517 2.183 4.735 1.00 71.61 N ATOM 1082 HZ1 LYS A 279 29.208 2.355 5.713 1.00 0.00 H ATOM 1083 HZ2 LYS A 279 30.044 1.287 4.689 1.00 0.00 H ATOM 1084 HZ3 LYS A 279 30.129 2.963 4.422 1.00 0.00 H ATOM 1085 H LYS A 279 23.138 -1.754 3.894 1.00 0.00 H ATOM 1086 N THR A 280 25.483 -3.055 1.974 1.00 32.55 N ATOM 1087 CA THR A 280 26.172 -4.118 1.250 1.00 33.58 C ATOM 1088 C THR A 280 25.658 -4.267 -0.214 1.00 37.33 C ATOM 1089 O THR A 280 26.469 -4.427 -1.128 1.00 38.01 O ATOM 1090 CB THR A 280 26.056 -5.427 2.055 1.00 45.02 C ATOM 1091 OG1 THR A 280 26.659 -5.262 3.337 1.00 46.39 O ATOM 1092 CG2 THR A 280 26.683 -6.584 1.370 1.00 48.05 C ATOM 1093 HG1 THR A 280 26.198 -4.535 3.826 1.00 0.00 H ATOM 1094 H THR A 280 25.037 -3.312 2.878 1.00 0.00 H ATOM 1095 N ILE A 281 24.334 -4.214 -0.425 1.00 32.65 N ATOM 1096 CA ILE A 281 23.751 -4.400 -1.754 1.00 32.31 C ATOM 1097 C ILE A 281 23.476 -3.062 -2.484 1.00 36.64 C ATOM 1098 O ILE A 281 22.706 -3.040 -3.454 1.00 37.70 O ATOM 1099 CB ILE A 281 22.508 -5.352 -1.734 1.00 35.23 C ATOM 1100 CG1 ILE A 281 21.308 -4.782 -0.920 1.00 34.92 C ATOM 1101 CG2 ILE A 281 22.921 -6.755 -1.247 1.00 35.22 C ATOM 1102 CD1 ILE A 281 19.911 -5.300 -1.370 1.00 35.35 C ATOM 1103 H ILE A 281 23.702 -4.035 0.382 1.00 0.00 H ATOM 1104 N ASN A 282 24.166 -1.969 -2.060 1.00 32.05 N ATOM 1105 CA ASN A 282 24.083 -0.616 -2.642 1.00 31.44 C ATOM 1106 C ASN A 282 22.670 -0.023 -2.622 1.00 34.03 C ATOM 1107 O ASN A 282 22.274 0.723 -3.526 1.00 32.26 O ATOM 1108 CB ASN A 282 24.690 -0.576 -4.064 1.00 29.55 C ATOM 1109 CG ASN A 282 26.168 -0.806 -4.066 1.00 40.38 C ATOM 1110 OD1 ASN A 282 26.935 0.028 -3.617 1.00 38.74 O ATOM 1111 ND2 ASN A 282 26.597 -1.967 -4.510 1.00 31.92 N ATOM 1112 HD22 ASN A 282 25.921 -2.661 -4.888 1.00 0.00 H ATOM 1113 HD21 ASN A 282 27.612 -2.191 -4.483 1.00 0.00 H ATOM 1114 H ASN A 282 24.810 -2.099 -1.253 1.00 0.00 H ATOM 1115 N GLN A 283 21.934 -0.332 -1.557 1.00 31.57 N ATOM 1116 CA GLN A 283 20.569 0.129 -1.328 1.00 31.71 C ATOM 1117 C GLN A 283 20.492 0.995 -0.059 1.00 36.02 C ATOM 1118 O GLN A 283 19.456 1.005 0.607 1.00 36.36 O ATOM 1119 CB GLN A 283 19.608 -1.081 -1.247 1.00 33.02 C ATOM 1120 CG GLN A 283 19.433 -1.850 -2.557 1.00 40.23 C ATOM 1121 CD GLN A 283 18.879 -1.060 -3.732 1.00 57.69 C ATOM 1122 OE1 GLN A 283 18.223 -0.015 -3.602 1.00 59.13 O ATOM 1123 NE2 GLN A 283 19.118 -1.568 -4.920 1.00 41.86 N ATOM 1124 HE22 GLN A 283 19.670 -2.445 -5.009 1.00 0.00 H ATOM 1125 HE21 GLN A 283 18.755 -1.093 -5.771 1.00 0.00 H ATOM 1126 H GLN A 283 22.363 -0.947 -0.836 1.00 0.00 H ATOM 1127 N GLU A 284 21.574 1.746 0.256 1.00 32.33 N ATOM 1128 CA GLU A 284 21.660 2.605 1.443 1.00 32.63 C ATOM 1129 C GLU A 284 20.565 3.663 1.499 1.00 36.95 C ATOM 1130 O GLU A 284 20.110 3.981 2.593 1.00 36.43 O ATOM 1131 CB GLU A 284 23.060 3.230 1.635 1.00 34.05 C ATOM 1132 CG GLU A 284 23.563 4.070 0.477 1.00 47.34 C ATOM 1133 CD GLU A 284 24.373 3.304 -0.545 1.00 77.22 C ATOM 1134 OE1 GLU A 284 25.607 3.508 -0.587 1.00 77.09 O ATOM 1135 OE2 GLU A 284 23.776 2.519 -1.315 1.00 75.43 O ATOM 1136 H GLU A 284 22.394 1.712 -0.382 1.00 0.00 H ATOM 1137 N SER A 285 20.089 4.138 0.323 1.00 34.57 N ATOM 1138 CA SER A 285 19.005 5.115 0.191 1.00 34.32 C ATOM 1139 C SER A 285 17.677 4.569 0.742 1.00 38.36 C ATOM 1140 O SER A 285 16.792 5.362 1.064 1.00 40.49 O ATOM 1141 CB SER A 285 18.851 5.566 -1.259 1.00 37.42 C ATOM 1142 OG SER A 285 18.416 4.495 -2.080 1.00 45.60 O ATOM 1143 HG SER A 285 18.324 4.812 -3.013 1.00 0.00 H ATOM 1144 H SER A 285 20.526 3.783 -0.551 1.00 0.00 H ATOM 1145 N CYS A 286 17.552 3.234 0.866 1.00 32.15 N ATOM 1146 CA CYS A 286 16.373 2.567 1.419 1.00 31.30 C ATOM 1147 C CYS A 286 16.374 2.519 2.963 1.00 32.52 C ATOM 1148 O CYS A 286 15.346 2.167 3.536 1.00 32.65 O ATOM 1149 CB CYS A 286 16.201 1.171 0.827 1.00 31.92 C ATOM 1150 SG CYS A 286 15.815 1.149 -0.944 1.00 36.05 S ATOM 1151 H CYS A 286 18.344 2.639 0.549 1.00 0.00 H ATOM 1152 N ILE A 287 17.483 2.871 3.637 1.00 26.86 N ATOM 1153 CA ILE A 287 17.560 2.788 5.110 1.00 27.07 C ATOM 1154 C ILE A 287 16.506 3.705 5.801 1.00 33.63 C ATOM 1155 O ILE A 287 15.803 3.235 6.700 1.00 32.31 O ATOM 1156 CB ILE A 287 19.014 3.003 5.625 1.00 29.34 C ATOM 1157 CG1 ILE A 287 19.908 1.824 5.156 1.00 29.49 C ATOM 1158 CG2 ILE A 287 19.078 3.169 7.151 1.00 28.80 C ATOM 1159 CD1 ILE A 287 21.395 2.090 5.127 1.00 31.27 C ATOM 1160 H ILE A 287 18.310 3.211 3.106 1.00 0.00 H ATOM 1161 N GLU A 288 16.363 4.970 5.324 1.00 31.77 N ATOM 1162 CA GLU A 288 15.409 5.959 5.831 1.00 32.22 C ATOM 1163 C GLU A 288 13.964 5.474 5.614 1.00 36.12 C ATOM 1164 O GLU A 288 13.287 5.288 6.628 1.00 36.66 O ATOM 1165 CB GLU A 288 15.688 7.374 5.270 1.00 34.19 C ATOM 1166 CG GLU A 288 17.073 7.928 5.622 1.00 48.34 C ATOM 1167 CD GLU A 288 18.307 7.204 5.086 1.00 74.39 C ATOM 1168 OE1 GLU A 288 18.238 6.624 3.975 1.00 38.78 O ATOM 1169 OE2 GLU A 288 19.339 7.190 5.798 1.00 74.54 O ATOM 1170 H GLU A 288 16.979 5.258 4.537 1.00 0.00 H ATOM 1171 N PRO A 289 13.523 5.101 4.367 1.00 31.44 N ATOM 1172 CA PRO A 289 12.172 4.515 4.211 1.00 30.58 C ATOM 1173 C PRO A 289 11.917 3.302 5.114 1.00 34.48 C ATOM 1174 O PRO A 289 10.822 3.183 5.667 1.00 34.73 O ATOM 1175 CB PRO A 289 12.125 4.107 2.731 1.00 32.08 C ATOM 1176 CG PRO A 289 13.116 4.981 2.060 1.00 36.20 C ATOM 1177 CD PRO A 289 14.194 5.248 3.052 1.00 32.11 C ATOM 1178 N LEU A 290 12.935 2.425 5.302 1.00 30.42 N ATOM 1179 CA LEU A 290 12.842 1.246 6.181 1.00 29.39 C ATOM 1180 C LEU A 290 12.595 1.679 7.642 1.00 31.37 C ATOM 1181 O LEU A 290 11.679 1.152 8.288 1.00 31.11 O ATOM 1182 CB LEU A 290 14.106 0.374 6.071 1.00 29.76 C ATOM 1183 CG LEU A 290 14.261 -0.788 7.062 1.00 35.13 C ATOM 1184 CD1 LEU A 290 13.212 -1.874 6.830 1.00 35.68 C ATOM 1185 CD2 LEU A 290 15.656 -1.389 6.984 1.00 37.33 C ATOM 1186 H LEU A 290 13.829 2.594 4.799 1.00 0.00 H ATOM 1187 N ALA A 291 13.384 2.666 8.137 1.00 25.82 N ATOM 1188 CA ALA A 291 13.292 3.230 9.494 1.00 24.64 C ATOM 1189 C ALA A 291 11.912 3.861 9.706 1.00 30.24 C ATOM 1190 O ALA A 291 11.341 3.776 10.791 1.00 28.47 O ATOM 1191 CB ALA A 291 14.387 4.279 9.699 1.00 24.33 C ATOM 1192 H ALA A 291 14.113 3.056 7.506 1.00 0.00 H ATOM 1193 N GLU A 292 11.391 4.487 8.643 1.00 29.01 N ATOM 1194 CA GLU A 292 10.094 5.149 8.598 1.00 29.31 C ATOM 1195 C GLU A 292 8.994 4.085 8.756 1.00 31.98 C ATOM 1196 O GLU A 292 8.129 4.235 9.616 1.00 31.56 O ATOM 1197 CB GLU A 292 9.978 5.911 7.264 1.00 30.53 C ATOM 1198 CG GLU A 292 9.007 7.071 7.266 1.00 37.45 C ATOM 1199 CD GLU A 292 7.573 6.574 7.104 1.00 55.35 C ATOM 1200 OE1 GLU A 292 7.235 6.081 6.004 1.00 62.70 O ATOM 1201 OE2 GLU A 292 6.822 6.568 8.105 1.00 32.57 O ATOM 1202 H GLU A 292 11.962 4.502 7.774 1.00 0.00 H ATOM 1203 N SER A 293 9.081 3.001 7.968 1.00 27.67 N ATOM 1204 CA SER A 293 8.160 1.858 7.993 1.00 27.52 C ATOM 1205 C SER A 293 8.092 1.169 9.376 1.00 32.29 C ATOM 1206 O SER A 293 6.993 0.885 9.851 1.00 33.30 O ATOM 1207 CB SER A 293 8.541 0.861 6.912 1.00 28.34 C ATOM 1208 OG SER A 293 7.550 -0.146 6.828 1.00 37.21 O ATOM 1209 HG SER A 293 7.800 -0.795 6.123 1.00 0.00 H ATOM 1210 H SER A 293 9.864 2.969 7.285 1.00 0.00 H ATOM 1211 N ILE A 294 9.255 0.948 10.032 1.00 27.67 N ATOM 1212 CA ILE A 294 9.343 0.374 11.383 1.00 27.42 C ATOM 1213 C ILE A 294 8.681 1.328 12.397 1.00 31.75 C ATOM 1214 O ILE A 294 7.875 0.874 13.208 1.00 31.94 O ATOM 1215 CB ILE A 294 10.827 0.095 11.763 1.00 30.67 C ATOM 1216 CG1 ILE A 294 11.400 -1.084 10.942 1.00 30.84 C ATOM 1217 CG2 ILE A 294 10.980 -0.150 13.281 1.00 31.54 C ATOM 1218 CD1 ILE A 294 12.884 -1.007 10.684 1.00 35.76 C ATOM 1219 H ILE A 294 10.142 1.200 9.551 1.00 0.00 H ATOM 1220 N THR A 295 9.021 2.649 12.340 1.00 27.38 N ATOM 1221 CA THR A 295 8.462 3.683 13.222 1.00 26.85 C ATOM 1222 C THR A 295 6.950 3.712 13.139 1.00 31.20 C ATOM 1223 O THR A 295 6.294 3.681 14.175 1.00 30.19 O ATOM 1224 CB THR A 295 9.062 5.048 12.910 1.00 33.29 C ATOM 1225 OG1 THR A 295 10.481 4.958 12.993 1.00 30.01 O ATOM 1226 CG2 THR A 295 8.547 6.151 13.844 1.00 33.92 C ATOM 1227 HG1 THR A 295 10.807 4.291 12.338 1.00 0.00 H ATOM 1228 H THR A 295 9.720 2.942 11.627 1.00 0.00 H ATOM 1229 N ASP A 296 6.409 3.711 11.899 1.00 29.35 N ATOM 1230 CA ASP A 296 4.988 3.732 11.586 1.00 29.62 C ATOM 1231 C ASP A 296 4.263 2.504 12.172 1.00 35.55 C ATOM 1232 O ASP A 296 3.303 2.684 12.918 1.00 35.33 O ATOM 1233 CB ASP A 296 4.790 3.854 10.063 1.00 31.52 C ATOM 1234 CG ASP A 296 3.361 3.986 9.586 1.00 44.60 C ATOM 1235 OD1 ASP A 296 2.505 4.472 10.376 1.00 45.49 O ATOM 1236 OD2 ASP A 296 3.091 3.605 8.426 1.00 50.34 O ATOM 1237 H ASP A 296 7.069 3.694 11.096 1.00 0.00 H ATOM 1238 N VAL A 297 4.755 1.276 11.883 1.00 32.78 N ATOM 1239 CA VAL A 297 4.198 0.014 12.396 1.00 32.34 C ATOM 1240 C VAL A 297 4.202 0.009 13.933 1.00 34.59 C ATOM 1241 O VAL A 297 3.179 -0.309 14.536 1.00 33.60 O ATOM 1242 CB VAL A 297 4.908 -1.225 11.758 1.00 36.74 C ATOM 1243 CG1 VAL A 297 4.701 -2.518 12.561 1.00 36.68 C ATOM 1244 CG2 VAL A 297 4.478 -1.406 10.298 1.00 36.66 C ATOM 1245 H VAL A 297 5.583 1.221 11.256 1.00 0.00 H ATOM 1246 N LEU A 298 5.323 0.414 14.554 1.00 30.90 N ATOM 1247 CA LEU A 298 5.454 0.453 16.007 1.00 29.67 C ATOM 1248 C LEU A 298 4.428 1.376 16.659 1.00 37.19 C ATOM 1249 O LEU A 298 3.660 0.919 17.507 1.00 35.66 O ATOM 1250 CB LEU A 298 6.885 0.849 16.441 1.00 28.96 C ATOM 1251 CG LEU A 298 7.089 1.165 17.951 1.00 32.49 C ATOM 1252 CD1 LEU A 298 6.862 -0.089 18.845 1.00 30.95 C ATOM 1253 CD2 LEU A 298 8.443 1.812 18.207 1.00 34.43 C ATOM 1254 H LEU A 298 6.133 0.713 13.974 1.00 0.00 H ATOM 1255 N VAL A 299 4.434 2.680 16.284 1.00 37.45 N ATOM 1256 CA VAL A 299 3.568 3.682 16.916 1.00 37.73 C ATOM 1257 C VAL A 299 2.086 3.438 16.543 1.00 40.48 C ATOM 1258 O VAL A 299 1.254 3.510 17.434 1.00 40.55 O ATOM 1259 CB VAL A 299 4.061 5.149 16.703 1.00 42.40 C ATOM 1260 CG1 VAL A 299 4.189 5.479 15.230 1.00 43.25 C ATOM 1261 CG2 VAL A 299 3.183 6.179 17.425 1.00 41.91 C ATOM 1262 H VAL A 299 5.075 2.980 15.522 1.00 0.00 H ATOM 1263 N ARG A 300 1.770 3.058 15.298 1.00 36.71 N ATOM 1264 CA ARG A 300 0.393 2.794 14.882 1.00 36.77 C ATOM 1265 C ARG A 300 -0.257 1.623 15.643 1.00 43.98 C ATOM 1266 O ARG A 300 -1.378 1.780 16.134 1.00 44.75 O ATOM 1267 CB ARG A 300 0.317 2.563 13.370 1.00 35.64 C ATOM 1268 CG ARG A 300 -0.914 3.132 12.706 1.00 43.54 C ATOM 1269 CD ARG A 300 -1.078 2.750 11.246 1.00 50.48 C ATOM 1270 NE ARG A 300 -0.873 1.323 10.983 1.00 53.48 N ATOM 1271 CZ ARG A 300 0.244 0.822 10.456 1.00 64.62 C ATOM 1272 NH1 ARG A 300 1.256 1.624 10.142 1.00 49.99 N ATOM 1273 NH2 ARG A 300 0.365 -0.483 10.258 1.00 43.52 N ATOM 1274 HE ARG A 300 -1.642 0.664 11.221 1.00 0.00 H ATOM 1275 HH12 ARG A 300 2.125 1.228 9.731 1.00 0.00 H ATOM 1276 HH11 ARG A 300 1.179 2.648 10.307 1.00 0.00 H ATOM 1277 HH22 ARG A 300 1.239 -0.868 9.846 1.00 0.00 H ATOM 1278 HH21 ARG A 300 -0.414 -1.122 10.514 1.00 0.00 H ATOM 1279 H ARG A 300 2.533 2.946 14.600 1.00 0.00 H ATOM 1280 N THR A 301 0.443 0.472 15.762 1.00 40.68 N ATOM 1281 CA THR A 301 -0.067 -0.727 16.450 1.00 40.49 C ATOM 1282 C THR A 301 0.097 -0.729 17.990 1.00 43.16 C ATOM 1283 O THR A 301 -0.613 -1.484 18.655 1.00 42.17 O ATOM 1284 CB THR A 301 0.543 -2.030 15.865 1.00 49.41 C ATOM 1285 OG1 THR A 301 1.936 -2.093 16.177 1.00 50.28 O ATOM 1286 CG2 THR A 301 0.312 -2.188 14.363 1.00 47.51 C ATOM 1287 HG1 THR A 301 2.397 -1.310 15.784 1.00 0.00 H ATOM 1288 H THR A 301 1.395 0.431 15.344 1.00 0.00 H ATOM 1289 N LYS A 302 1.035 0.069 18.552 1.00 39.19 N ATOM 1290 CA LYS A 302 1.314 0.029 19.997 1.00 38.39 C ATOM 1291 C LYS A 302 1.187 1.371 20.718 1.00 44.49 C ATOM 1292 O LYS A 302 1.715 1.504 21.821 1.00 44.89 O ATOM 1293 CB LYS A 302 2.714 -0.592 20.268 1.00 39.47 C ATOM 1294 CG LYS A 302 3.055 -1.905 19.525 1.00 43.59 C ATOM 1295 CD LYS A 302 2.135 -3.053 19.921 1.00 43.18 C ATOM 1296 CE LYS A 302 2.542 -4.389 19.355 1.00 32.79 C ATOM 1297 NZ LYS A 302 1.703 -5.490 19.925 1.00 29.79 N ATOM 1298 HZ1 LYS A 302 1.821 -5.515 20.958 1.00 0.00 H ATOM 1299 HZ2 LYS A 302 0.704 -5.319 19.693 1.00 0.00 H ATOM 1300 HZ3 LYS A 302 2.004 -6.399 19.519 1.00 0.00 H ATOM 1301 H LYS A 302 1.571 0.725 17.949 1.00 0.00 H ATOM 1302 N ARG A 303 0.465 2.347 20.122 1.00 42.42 N ATOM 1303 CA ARG A 303 0.222 3.709 20.634 1.00 41.83 C ATOM 1304 C ARG A 303 -0.132 3.756 22.136 1.00 44.93 C ATOM 1305 O ARG A 303 0.634 4.319 22.917 1.00 44.66 O ATOM 1306 CB ARG A 303 -0.859 4.408 19.774 1.00 41.89 C ATOM 1307 CG ARG A 303 -1.137 5.865 20.129 1.00 57.46 C ATOM 1308 CD ARG A 303 -2.606 6.188 19.927 1.00 76.16 C ATOM 1309 NE ARG A 303 -2.911 7.598 20.188 1.00 95.39 N ATOM 1310 CZ ARG A 303 -3.196 8.497 19.249 1.00115.14 C ATOM 1311 NH1 ARG A 303 -3.220 8.146 17.967 1.00103.60 N ATOM 1312 NH2 ARG A 303 -3.461 9.753 19.584 1.00103.65 N ATOM 1313 HE ARG A 303 -2.904 7.919 21.177 1.00 0.00 H ATOM 1314 HH12 ARG A 303 -3.443 8.854 17.238 1.00 0.00 H ATOM 1315 HH11 ARG A 303 -3.015 7.164 17.693 1.00 0.00 H ATOM 1316 HH22 ARG A 303 -3.683 10.452 18.847 1.00 0.00 H ATOM 1317 HH21 ARG A 303 -3.447 10.039 20.584 1.00 0.00 H ATOM 1318 H ARG A 303 0.035 2.112 19.205 1.00 0.00 H ATOM 1319 N ASP A 304 -1.256 3.128 22.527 1.00 41.16 N ATOM 1320 CA ASP A 304 -1.791 3.089 23.897 1.00 41.18 C ATOM 1321 C ASP A 304 -0.841 2.478 24.937 1.00 43.94 C ATOM 1322 O ASP A 304 -0.681 3.053 26.020 1.00 43.55 O ATOM 1323 CB ASP A 304 -3.159 2.379 23.916 1.00 43.03 C ATOM 1324 CG ASP A 304 -4.207 3.067 23.060 1.00 49.21 C ATOM 1325 OD1 ASP A 304 -4.150 4.314 22.938 1.00 48.36 O ATOM 1326 OD2 ASP A 304 -5.087 2.362 22.517 1.00 54.47 O ATOM 1327 H ASP A 304 -1.796 2.624 21.794 1.00 0.00 H ATOM 1328 N TRP A 305 -0.207 1.331 24.601 1.00 38.77 N ATOM 1329 CA TRP A 305 0.766 0.667 25.460 1.00 38.10 C ATOM 1330 C TRP A 305 1.969 1.579 25.681 1.00 41.91 C ATOM 1331 O TRP A 305 2.438 1.685 26.811 1.00 41.08 O ATOM 1332 CB TRP A 305 1.203 -0.673 24.863 1.00 37.04 C ATOM 1333 CG TRP A 305 2.090 -1.483 25.768 1.00 38.00 C ATOM 1334 CD1 TRP A 305 1.698 -2.433 26.661 1.00 40.68 C ATOM 1335 CD2 TRP A 305 3.521 -1.396 25.875 1.00 37.74 C ATOM 1336 NE1 TRP A 305 2.791 -2.941 27.323 1.00 39.90 N ATOM 1337 CE2 TRP A 305 3.923 -2.320 26.863 1.00 41.38 C ATOM 1338 CE3 TRP A 305 4.505 -0.623 25.230 1.00 38.53 C ATOM 1339 CZ2 TRP A 305 5.267 -2.517 27.201 1.00 40.34 C ATOM 1340 CZ3 TRP A 305 5.830 -0.795 25.589 1.00 39.48 C ATOM 1341 CH2 TRP A 305 6.202 -1.745 26.550 1.00 40.11 C ATOM 1342 HE1 TRP A 305 2.763 -3.679 28.056 1.00 0.00 H ATOM 1343 H TRP A 305 -0.426 0.900 23.680 1.00 0.00 H ATOM 1344 N LEU A 306 2.453 2.251 24.609 1.00 40.12 N ATOM 1345 CA LEU A 306 3.588 3.190 24.661 1.00 40.70 C ATOM 1346 C LEU A 306 3.277 4.401 25.561 1.00 44.36 C ATOM 1347 O LEU A 306 4.127 4.781 26.361 1.00 43.90 O ATOM 1348 CB LEU A 306 4.009 3.653 23.246 1.00 40.80 C ATOM 1349 CG LEU A 306 4.721 2.626 22.327 1.00 45.02 C ATOM 1350 CD1 LEU A 306 4.623 3.043 20.852 1.00 45.21 C ATOM 1351 CD2 LEU A 306 6.170 2.447 22.710 1.00 45.25 C ATOM 1352 H LEU A 306 1.994 2.094 23.689 1.00 0.00 H ATOM 1353 N VAL A 307 2.050 4.966 25.462 1.00 41.20 N ATOM 1354 CA VAL A 307 1.583 6.100 26.286 1.00 41.62 C ATOM 1355 C VAL A 307 1.560 5.688 27.782 1.00 46.10 C ATOM 1356 O VAL A 307 2.052 6.434 28.635 1.00 43.98 O ATOM 1357 CB VAL A 307 0.208 6.650 25.803 1.00 45.58 C ATOM 1358 CG1 VAL A 307 -0.325 7.729 26.743 1.00 45.67 C ATOM 1359 CG2 VAL A 307 0.303 7.197 24.381 1.00 45.16 C ATOM 1360 H VAL A 307 1.392 4.575 24.758 1.00 0.00 H ATOM 1361 N LYS A 308 1.042 4.472 28.071 1.00 44.88 N ATOM 1362 CA LYS A 308 0.957 3.912 29.423 1.00 45.55 C ATOM 1363 C LYS A 308 2.352 3.741 30.064 1.00 50.46 C ATOM 1364 O LYS A 308 2.512 3.966 31.266 1.00 49.79 O ATOM 1365 CB LYS A 308 0.175 2.586 29.409 1.00 48.04 C ATOM 1366 CG LYS A 308 -0.381 2.204 30.775 1.00 75.83 C ATOM 1367 CD LYS A 308 -0.674 0.712 30.875 1.00 92.26 C ATOM 1368 CE LYS A 308 -1.044 0.281 32.279 1.00105.92 C ATOM 1369 NZ LYS A 308 0.140 0.225 33.183 1.00115.02 N ATOM 1370 HZ1 LYS A 308 0.830 -0.457 32.807 1.00 0.00 H ATOM 1371 HZ2 LYS A 308 0.577 1.167 33.239 1.00 0.00 H ATOM 1372 HZ3 LYS A 308 -0.163 -0.075 34.132 1.00 0.00 H ATOM 1373 H LYS A 308 0.681 3.897 27.283 1.00 0.00 H ATOM 1374 N GLN A 309 3.358 3.385 29.248 1.00 47.93 N ATOM 1375 CA GLN A 309 4.732 3.185 29.712 1.00 47.73 C ATOM 1376 C GLN A 309 5.537 4.483 29.743 1.00 53.74 C ATOM 1377 O GLN A 309 6.711 4.452 30.110 1.00 54.53 O ATOM 1378 CB GLN A 309 5.455 2.119 28.868 1.00 48.49 C ATOM 1379 CG GLN A 309 4.728 0.780 28.713 1.00 52.51 C ATOM 1380 CD GLN A 309 4.144 0.200 29.974 1.00 68.14 C ATOM 1381 OE1 GLN A 309 2.930 -0.012 30.081 1.00 61.10 O ATOM 1382 NE2 GLN A 309 4.991 -0.088 30.948 1.00 63.34 N ATOM 1383 HE22 GLN A 309 6.006 0.102 30.827 1.00 0.00 H ATOM 1384 HE21 GLN A 309 4.642 -0.505 31.835 1.00 0.00 H ATOM 1385 H GLN A 309 3.151 3.245 28.239 1.00 0.00 H ATOM 1386 N ARG A 310 4.894 5.623 29.395 1.00 50.36 N ATOM 1387 CA ARG A 310 5.478 6.968 29.319 1.00 50.10 C ATOM 1388 C ARG A 310 6.563 7.001 28.246 1.00 53.30 C ATOM 1389 O ARG A 310 7.671 7.488 28.490 1.00 53.54 O ATOM 1390 CB ARG A 310 6.034 7.461 30.673 1.00 51.45 C ATOM 1391 CG ARG A 310 5.030 7.600 31.825 1.00 62.39 C ATOM 1392 CD ARG A 310 5.573 7.087 33.165 1.00 66.63 C ATOM 1393 NE ARG A 310 7.036 6.985 33.202 1.00 72.57 N ATOM 1394 CZ ARG A 310 7.709 5.839 33.189 1.00 86.35 C ATOM 1395 NH1 ARG A 310 9.028 5.843 33.170 1.00 72.73 N ATOM 1396 NH2 ARG A 310 7.063 4.679 33.208 1.00 71.45 N ATOM 1397 HE ARG A 310 7.583 7.869 33.241 1.00 0.00 H ATOM 1398 HH12 ARG A 310 9.551 4.944 33.160 1.00 0.00 H ATOM 1399 HH11 ARG A 310 9.545 6.745 33.165 1.00 0.00 H ATOM 1400 HH22 ARG A 310 7.597 3.786 33.198 1.00 0.00 H ATOM 1401 HH21 ARG A 310 6.023 4.663 33.233 1.00 0.00 H ATOM 1402 H ARG A 310 3.885 5.537 29.158 1.00 0.00 H ATOM 1403 N GLY A 311 6.232 6.431 27.084 1.00 48.63 N ATOM 1404 CA GLY A 311 7.070 6.358 25.891 1.00 47.18 C ATOM 1405 C GLY A 311 8.508 5.941 26.100 1.00 48.87 C ATOM 1406 O GLY A 311 8.787 4.963 26.796 1.00 48.36 O ATOM 1407 H GLY A 311 5.288 5.998 27.024 1.00 0.00 H ATOM 1408 N TRP A 312 9.432 6.721 25.516 1.00 44.44 N ATOM 1409 CA TRP A 312 10.877 6.460 25.541 1.00 43.30 C ATOM 1410 C TRP A 312 11.539 6.692 26.909 1.00 48.14 C ATOM 1411 O TRP A 312 12.665 6.224 27.117 1.00 47.13 O ATOM 1412 CB TRP A 312 11.597 7.223 24.424 1.00 40.74 C ATOM 1413 CG TRP A 312 11.216 6.703 23.065 1.00 40.62 C ATOM 1414 CD1 TRP A 312 10.340 7.271 22.190 1.00 43.39 C ATOM 1415 CD2 TRP A 312 11.616 5.452 22.481 1.00 39.82 C ATOM 1416 NE1 TRP A 312 10.207 6.477 21.071 1.00 42.55 N ATOM 1417 CE2 TRP A 312 10.970 5.347 21.229 1.00 43.42 C ATOM 1418 CE3 TRP A 312 12.471 4.411 22.889 1.00 40.61 C ATOM 1419 CZ2 TRP A 312 11.163 4.251 20.371 1.00 42.11 C ATOM 1420 CZ3 TRP A 312 12.661 3.325 22.041 1.00 41.83 C ATOM 1421 CH2 TRP A 312 12.015 3.254 20.796 1.00 42.26 C ATOM 1422 HE1 TRP A 312 9.622 6.699 20.240 1.00 0.00 H ATOM 1423 H TRP A 312 9.102 7.568 25.011 1.00 0.00 H ATOM 1424 N ASP A 313 10.822 7.336 27.857 1.00 45.47 N ATOM 1425 CA ASP A 313 11.298 7.521 29.232 1.00 45.14 C ATOM 1426 C ASP A 313 11.231 6.180 29.959 1.00 47.14 C ATOM 1427 O ASP A 313 12.180 5.828 30.657 1.00 47.54 O ATOM 1428 CB ASP A 313 10.485 8.601 29.965 1.00 47.33 C ATOM 1429 CG ASP A 313 10.653 9.971 29.353 1.00 61.14 C ATOM 1430 OD1 ASP A 313 9.916 10.285 28.391 1.00 66.07 O ATOM 1431 OD2 ASP A 313 11.550 10.711 29.797 1.00 62.94 O ATOM 1432 H ASP A 313 9.890 7.718 27.599 1.00 0.00 H ATOM 1433 N GLY A 314 10.155 5.424 29.717 1.00 41.97 N ATOM 1434 CA GLY A 314 9.935 4.097 30.280 1.00 40.70 C ATOM 1435 C GLY A 314 10.845 3.025 29.713 1.00 42.89 C ATOM 1436 O GLY A 314 11.131 2.042 30.397 1.00 44.25 O ATOM 1437 H GLY A 314 9.425 5.809 29.084 1.00 0.00 H ATOM 1438 N PHE A 315 11.297 3.200 28.455 1.00 35.96 N ATOM 1439 CA PHE A 315 12.212 2.305 27.751 1.00 33.53 C ATOM 1440 C PHE A 315 13.580 2.336 28.449 1.00 39.89 C ATOM 1441 O PHE A 315 14.141 1.277 28.723 1.00 40.41 O ATOM 1442 CB PHE A 315 12.324 2.720 26.270 1.00 32.98 C ATOM 1443 CG PHE A 315 13.452 2.076 25.500 1.00 32.11 C ATOM 1444 CD1 PHE A 315 13.359 0.755 25.070 1.00 32.48 C ATOM 1445 CD2 PHE A 315 14.596 2.800 25.173 1.00 32.49 C ATOM 1446 CE1 PHE A 315 14.386 0.169 24.331 1.00 33.06 C ATOM 1447 CE2 PHE A 315 15.636 2.203 24.445 1.00 35.20 C ATOM 1448 CZ PHE A 315 15.523 0.889 24.028 1.00 32.80 C ATOM 1449 H PHE A 315 10.967 4.043 27.943 1.00 0.00 H ATOM 1450 N VAL A 316 14.090 3.555 28.734 1.00 37.21 N ATOM 1451 CA VAL A 316 15.352 3.863 29.429 1.00 37.72 C ATOM 1452 C VAL A 316 15.323 3.286 30.865 1.00 42.12 C ATOM 1453 O VAL A 316 16.309 2.674 31.285 1.00 41.41 O ATOM 1454 CB VAL A 316 15.607 5.400 29.469 1.00 40.77 C ATOM 1455 CG1 VAL A 316 16.819 5.746 30.337 1.00 39.97 C ATOM 1456 CG2 VAL A 316 15.777 5.963 28.068 1.00 40.57 C ATOM 1457 H VAL A 316 13.525 4.372 28.426 1.00 0.00 H ATOM 1458 N GLU A 317 14.204 3.518 31.611 1.00 38.02 N ATOM 1459 CA GLU A 317 13.990 3.034 32.980 1.00 37.95 C ATOM 1460 C GLU A 317 14.009 1.511 33.020 1.00 42.28 C ATOM 1461 O GLU A 317 14.793 0.944 33.785 1.00 43.01 O ATOM 1462 CB GLU A 317 12.667 3.560 33.550 1.00 39.53 C ATOM 1463 CG GLU A 317 12.707 5.021 33.955 1.00 53.76 C ATOM 1464 CD GLU A 317 11.458 5.565 34.622 1.00 87.38 C ATOM 1465 OE1 GLU A 317 11.259 6.799 34.569 1.00 86.81 O ATOM 1466 OE2 GLU A 317 10.653 4.765 35.157 1.00 88.71 O ATOM 1467 H GLU A 317 13.445 4.081 31.176 1.00 0.00 H ATOM 1468 N PHE A 318 13.193 0.857 32.155 1.00 36.19 N ATOM 1469 CA PHE A 318 13.099 -0.599 32.028 1.00 35.09 C ATOM 1470 C PHE A 318 14.474 -1.285 31.883 1.00 37.82 C ATOM 1471 O PHE A 318 14.686 -2.339 32.472 1.00 37.46 O ATOM 1472 CB PHE A 318 12.188 -0.962 30.833 1.00 36.54 C ATOM 1473 CG PHE A 318 11.928 -2.435 30.677 1.00 37.75 C ATOM 1474 CD1 PHE A 318 10.941 -3.066 31.427 1.00 40.74 C ATOM 1475 CD2 PHE A 318 12.664 -3.196 29.781 1.00 38.72 C ATOM 1476 CE1 PHE A 318 10.698 -4.430 31.281 1.00 41.11 C ATOM 1477 CE2 PHE A 318 12.417 -4.556 29.634 1.00 41.44 C ATOM 1478 CZ PHE A 318 11.433 -5.164 30.383 1.00 39.76 C ATOM 1479 H PHE A 318 12.589 1.433 31.535 1.00 0.00 H ATOM 1480 N PHE A 319 15.377 -0.716 31.065 1.00 33.46 N ATOM 1481 CA PHE A 319 16.684 -1.325 30.823 1.00 32.37 C ATOM 1482 C PHE A 319 17.801 -0.794 31.739 1.00 37.23 C ATOM 1483 O PHE A 319 18.923 -1.296 31.673 1.00 37.54 O ATOM 1484 CB PHE A 319 17.061 -1.213 29.340 1.00 32.83 C ATOM 1485 CG PHE A 319 16.250 -2.126 28.460 1.00 33.20 C ATOM 1486 CD1 PHE A 319 16.449 -3.505 28.486 1.00 35.56 C ATOM 1487 CD2 PHE A 319 15.274 -1.615 27.617 1.00 34.50 C ATOM 1488 CE1 PHE A 319 15.692 -4.353 27.678 1.00 35.72 C ATOM 1489 CE2 PHE A 319 14.521 -2.466 26.798 1.00 36.62 C ATOM 1490 CZ PHE A 319 14.736 -3.828 26.836 1.00 34.78 C ATOM 1491 H PHE A 319 15.140 0.180 30.593 1.00 0.00 H ATOM 1492 N HIS A 320 17.493 0.193 32.605 1.00 34.14 N ATOM 1493 CA HIS A 320 18.439 0.800 33.551 1.00 70.63 C ATOM 1494 C HIS A 320 19.017 -0.235 34.525 1.00100.45 C ATOM 1495 O HIS A 320 18.279 -1.043 35.076 1.00 68.34 O ATOM 1496 CB HIS A 320 17.774 1.961 34.313 1.00 71.44 C ATOM 1497 CG HIS A 320 18.707 2.713 35.209 1.00 75.07 C ATOM 1498 ND1 HIS A 320 19.045 2.233 36.461 1.00 77.04 N ATOM 1499 CD2 HIS A 320 19.349 3.887 35.006 1.00 76.68 C ATOM 1500 CE1 HIS A 320 19.877 3.123 36.975 1.00 76.15 C ATOM 1501 NE2 HIS A 320 20.088 4.136 36.137 1.00 76.35 N ATOM 1502 H HIS A 320 16.516 0.550 32.603 1.00 0.00 H TER 1503 HIS A 320 HETATM 1504 O HOH 1 0.334 -8.805 7.022 1.00 28.86 O HETATM 1505 O HOH 2 10.856 14.429 19.408 1.00 57.86 O HETATM 1506 O HOH 3 27.198 -3.085 5.606 1.00 24.93 O HETATM 1507 O HOH 4 17.767 -10.490 2.077 1.00 35.21 O HETATM 1508 O HOH 5 23.399 16.547 14.952 1.00 57.30 O HETATM 1509 O HOH 6 9.727 -9.151 -1.097 1.00 50.81 O HETATM 1510 O HOH 7 1.800 -8.228 19.422 1.00 63.16 O HETATM 1511 O HOH 8 25.635 11.311 29.408 1.00 45.25 O HETATM 1512 O HOH 9 7.198 12.685 22.652 1.00 50.18 O HETATM 1513 O HOH 10 17.583 -16.944 18.584 1.00 45.15 O HETATM 1514 O HOH 11 -0.808 -10.815 13.300 1.00 71.52 O HETATM 1515 O HOH 12 -1.154 -0.415 22.614 1.00 45.20 O HETATM 1516 O HOH 13 23.056 11.247 28.521 1.00 46.67 O HETATM 1517 O HOH 14 8.430 -4.556 28.764 1.00 40.68 O HETATM 1518 O HOH 15 28.090 -0.745 12.931 1.00 37.53 O HETATM 1519 O HOH 16 13.551 18.027 26.724 1.00 48.12 O HETATM 1520 O HOH 17 0.890 -7.264 -0.041 1.00 43.40 O HETATM 1521 O HOH 18 23.639 -7.590 8.279 1.00 37.17 O HETATM 1522 O HOH 19 16.822 18.655 22.750 1.00 51.83 O HETATM 1523 O HOH 20 11.077 -9.894 25.028 1.00 43.21 O HETATM 1524 O HOH 21 19.070 2.548 30.188 1.00 37.12 O HETATM 1525 O HOH 22 28.079 -1.712 8.496 1.00 51.90 O HETATM 1526 O HOH 23 20.391 -1.594 37.118 1.00 50.53 O HETATM 1527 O HOH 24 30.742 -0.235 3.474 1.00 50.84 O HETATM 1528 O HOH 25 13.875 15.192 27.284 1.00 41.48 O HETATM 1529 O HOH 26 11.452 -11.618 -1.859 1.00 35.95 O HETATM 1530 O HOH 27 10.102 12.257 25.904 1.00 45.32 O HETATM 1531 O HOH 28 4.209 -13.872 21.895 1.00 46.74 O HETATM 1532 O HOH 29 26.343 -11.431 10.079 1.00 51.68 O HETATM 1533 O HOH 30 0.617 14.776 19.938 1.00 43.01 O HETATM 1534 O HOH 31 -2.671 0.912 20.439 1.00 43.35 O HETATM 1535 O HOH 32 24.852 -8.775 4.571 1.00 38.44 O HETATM 1536 O HOH 33 -1.677 13.284 17.775 1.00 43.27 O HETATM 1537 O HOH 34 13.907 8.198 8.346 1.00 29.78 O HETATM 1538 O HOH 35 13.960 -13.506 17.308 1.00 33.99 O HETATM 1539 O HOH 36 6.813 -3.073 30.844 1.00 54.29 O HETATM 1540 O HOH 37 28.837 -2.429 3.529 1.00 38.82 O HETATM 1541 O HOH 38 22.158 -1.919 33.267 1.00 40.71 O HETATM 1542 O HOH 39 25.321 -7.662 10.674 1.00 36.81 O HETATM 1543 O HOH 40 25.962 -7.158 6.428 1.00 38.51 O HETATM 1544 O HOH 41 -2.963 -2.370 2.317 1.00 48.78 O HETATM 1545 O HOH 42 8.426 10.570 32.882 1.00 59.66 O HETATM 1546 O HOH 43 -0.453 -3.365 22.495 1.00 56.65 O HETATM 1547 O HOH 44 4.018 9.052 25.092 1.00 56.20 O HETATM 1548 O HOH 45 -2.971 -0.619 26.698 1.00 48.72 O HETATM 1549 O HOH 46 8.953 -12.387 23.960 1.00 39.01 O HETATM 1550 O HOH 47 5.841 11.430 28.399 1.00 69.36 O HETATM 1551 O HOH 48 11.313 -16.255 19.787 1.00 36.16 O HETATM 1552 O HOH 49 -2.009 -1.439 -0.050 1.00 47.15 O HETATM 1553 O HOH 50 4.712 11.477 31.836 1.00 59.26 O HETATM 1554 O HOH 51 2.473 11.890 27.620 1.00 54.64 O HETATM 1555 C4 CJY A 52 13.598 -12.665 13.173 1.00 -0.08 C HETATM 1556 C10 CJY A 52 12.738 -13.136 14.141 1.00 -0.04 C HETATM 1557 C16 CJY A 52 11.934 -12.202 14.768 1.00 0.06 C HETATM 1558 C14 CJY A 52 11.949 -10.850 14.473 1.00 -0.01 C HETATM 1559 C8 CJY A 52 12.812 -10.398 13.489 1.00 -0.07 C HETATM 1560 C3 CJY A 52 13.627 -11.322 12.861 1.00 -0.08 C HETATM 1561 H11 CJY A 52 14.313 -10.978 12.096 1.00 0.05 H HETATM 1562 H5 CJY A 52 12.848 -9.349 13.218 1.00 0.06 H HETATM 1563 C15 CJY A 52 11.012 -10.206 15.333 1.00 -0.03 C HETATM 1564 C23 CJY A 52 10.456 -11.188 16.140 1.00 0.09 C HETATM 1565 C24 CJY A 52 9.462 -11.094 17.178 1.00 0.08 C HETATM 1566 O25 CJY A 52 9.032 -10.090 17.725 1.00 -0.56 O HETATM 1567 O26 CJY A 52 9.057 -12.338 17.513 1.00 -0.56 O HETATM 1568 N22 CJY A 52 11.025 -12.379 15.776 1.00 -0.28 N HETATM 1569 H18 CJY A 52 10.799 -13.288 16.204 1.00 0.22 H HETATM 1570 C18 CJY A 52 10.707 -8.754 15.344 1.00 -0.03 C HETATM 1571 C19 CJY A 52 9.348 -8.409 14.766 1.00 -0.02 C HETATM 1572 C20 CJY A 52 9.233 -8.548 13.259 1.00 0.07 C HETATM 1573 O21 CJY A 52 10.352 -7.889 12.688 1.00 -0.31 O HETATM 1574 C17 CJY A 52 10.446 -7.933 11.292 1.00 0.10 C HETATM 1575 C13 CJY A 52 11.167 -6.901 10.713 1.00 0.02 C HETATM 1576 C7 CJY A 52 11.732 -5.889 11.476 1.00 -0.05 C HETATM 1577 C2 CJY A 52 12.451 -4.880 10.878 1.00 -0.06 C HETATM 1578 C1 CJY A 52 12.604 -4.873 9.509 1.00 -0.06 C HETATM 1579 C6 CJY A 52 12.038 -5.873 8.737 1.00 -0.06 C HETATM 1580 C12 CJY A 52 11.323 -6.891 9.335 1.00 -0.03 C HETATM 1581 C9 CJY A 52 10.797 -7.901 8.550 1.00 -0.07 C HETATM 1582 C5 CJY A 52 10.097 -8.929 9.135 1.00 -0.07 C HETATM 1583 C11 CJY A 52 9.920 -8.950 10.501 1.00 -0.03 C HETATM 1584 H13 CJY A 52 9.369 -9.762 10.962 1.00 0.05 H HETATM 1585 H2 CJY A 52 9.685 -9.722 8.522 1.00 0.06 H HETATM 1586 H12 CJY A 52 10.937 -7.882 7.475 1.00 0.05 H HETATM 1587 H3 CJY A 52 12.157 -5.856 7.660 1.00 0.06 H HETATM 1588 H9 CJY A 52 13.171 -4.080 9.034 1.00 0.06 H HETATM 1589 H10 CJY A 52 12.894 -4.095 11.480 1.00 0.06 H HETATM 1590 H4 CJY A 52 11.606 -5.894 12.553 1.00 0.06 H HETATM 1591 H7 CJY A 52 8.301 -8.081 12.908 1.00 0.06 H HETATM 1592 H8 CJY A 52 9.238 -9.611 12.977 1.00 0.06 H HETATM 1593 H16 CJY A 52 8.603 -9.074 15.227 1.00 0.03 H HETATM 1594 H17 CJY A 52 9.121 -7.366 15.030 1.00 0.03 H HETATM 1595 H14 CJY A 52 11.476 -8.234 14.755 1.00 0.04 H HETATM 1596 H15 CJY A 52 10.741 -8.400 16.385 1.00 0.04 H HETATM 1597 H6 CJY A 52 12.694 -14.188 14.399 1.00 0.05 H HETATM 1598 H1 CJY A 52 14.255 -13.354 12.654 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1555 1556 1560 1598 CONECT 1556 1555 1557 1597 CONECT 1557 1556 1558 1568 CONECT 1558 1557 1559 1563 CONECT 1559 1558 1560 1562 CONECT 1560 1555 1559 1561 CONECT 1561 1560 CONECT 1562 1559 CONECT 1563 1558 1564 1570 CONECT 1564 1563 1565 1568 CONECT 1565 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 CONECT 1568 1557 1564 1569 CONECT 1569 1568 CONECT 1570 1563 1571 1595 1596 CONECT 1571 1570 1572 1593 1594 CONECT 1572 1571 1573 1591 1592 CONECT 1573 1572 1574 CONECT 1574 1573 1575 1583 CONECT 1575 1574 1576 1580 CONECT 1576 1575 1577 1590 CONECT 1577 1576 1578 1589 CONECT 1578 1577 1579 1588 CONECT 1579 1578 1580 1587 CONECT 1580 1575 1579 1581 CONECT 1581 1580 1582 1586 CONECT 1582 1581 1583 1585 CONECT 1583 1574 1582 1584 CONECT 1584 1583 CONECT 1585 1582 CONECT 1586 1581 CONECT 1587 1579 CONECT 1588 1578 CONECT 1589 1577 CONECT 1590 1576 CONECT 1591 1572 CONECT 1592 1572 CONECT 1593 1571 CONECT 1594 1571 CONECT 1595 1570 CONECT 1596 1570 CONECT 1597 1556 CONECT 1598 1555 MASTER 0 0 0 0 0 0 0 0 1597 1 48 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6b4l
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%
4hw2
RCSB PDB
PDBbind
153aa, >4HW2_1|Chains... at 96%
4hw3
RCSB PDB
PDBbind
153aa, >4HW3_1|Chains... at 96%
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%
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%
6udt
RCSB PDB
PDBbind
157aa, >6UDT_1|Chain... at 92%
6udu
RCSB PDB
PDBbind
157aa, >6UDU_1|Chain... at 92%
6udv
RCSB PDB
PDBbind
157aa, >6UDV_1|Chain... at 92%
6udx
RCSB PDB
PDBbind
157aa, >6UDX_1|Chains... at 92%
6udy
RCSB PDB
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
6b4l
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Myeloid cell leukemia 1
Ligand Name
CJY
EC.Number
E.C.-.-.-.-
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
Ki=0.34uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J. Med. Chem. Vol. 58: pp. 2180-2194
Ligand Properties
Formula
C
2
2
H
1
9
NO
3
Molecular Weight
345.391
Exact Mass
345.136
No. of atoms
45
No. of bonds
48
Polar Surface Area
62.32
LOGP Value
6.23 (
Computed with XLOGP3
)
5.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
OC(=O)c1[nH]c2c(c1CCCOc1cccc3c1cccc3)cccc2
InChI String
InChI=1S/C22H19NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h1-5,7-10,12-13,23H,6,11,14H2,(H,24,25)
Links to External Databases
RCSB PDB
The mother database
PDBsum
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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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