Browse entries in the PDBbind-CN Database
HEADER 4I9O_COMPLEX COMPND 4I9O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 78 ARG LYS GLY TRP HIS GLU HIS VAL THR GLN ASP LEU ARG SEQRES 2 A 78 SER HIS LEU VAL HIS LYS LEU VAL GLN ALA ILE PHE PRO SEQRES 3 A 78 THR PRO ASP PRO ALA ALA LEU LYS ASP ARG ARG MSE GLU SEQRES 4 A 78 ASN LEU VAL ALA TYR ALA LYS LYS VAL GLU GLY ASP MSE SEQRES 5 A 78 TYR GLU SER ALA ASN SER ARG ASP GLU TYR TYR HIS LEU SEQRES 6 A 78 LEU ALA GLU LYS ILE TYR LYS ILE GLN LYS GLU CYS GLU HET MSE A 625 17 HET MSE A 639 17 HET KI A 1 40 ATOM 1 N ARG A 588 13.404 17.194 38.664 1.00 45.79 N ATOM 2 CA ARG A 588 14.672 17.898 38.843 1.00 44.94 C ATOM 3 C ARG A 588 15.472 17.220 39.957 1.00 44.06 C ATOM 4 O ARG A 588 15.085 17.320 41.125 1.00 44.10 O ATOM 5 CB ARG A 588 14.411 19.378 39.173 1.00 47.24 C ATOM 6 HA ARG A 588 15.251 17.856 37.920 1.00 0.00 H ATOM 7 HB2 ARG A 588 13.857 19.839 38.355 1.00 0.00 H ATOM 8 HB3 ARG A 588 13.829 19.447 40.092 1.00 0.00 H ATOM 9 HN3 ARG A 588 12.863 17.226 39.552 1.00 0.00 H ATOM 10 HN2 ARG A 588 13.592 16.204 38.406 1.00 0.00 H ATOM 11 HN1 ARG A 588 12.858 17.653 37.907 1.00 0.00 H ATOM 12 N LYS A 589 16.571 16.516 39.604 1.00 35.72 N ATOM 13 CA LYS A 589 17.373 15.820 40.610 1.00 34.62 C ATOM 14 C LYS A 589 18.509 16.701 41.091 1.00 34.96 C ATOM 15 O LYS A 589 18.962 17.581 40.370 1.00 33.48 O ATOM 16 CB LYS A 589 17.886 14.470 40.097 1.00 35.53 C ATOM 17 CG LYS A 589 16.756 13.490 39.800 1.00 44.15 C ATOM 18 CD LYS A 589 17.273 12.141 39.290 1.00 44.86 C ATOM 19 CE LYS A 589 16.117 11.278 38.841 1.00 39.38 C ATOM 20 NZ LYS A 589 16.568 9.935 38.387 1.00 35.16 N ATOM 21 HA LYS A 589 16.726 15.607 41.461 1.00 0.00 H ATOM 22 HB2 LYS A 589 18.454 14.637 39.182 1.00 0.00 H ATOM 23 HB3 LYS A 589 18.538 14.033 40.853 1.00 0.00 H ATOM 24 HG2 LYS A 589 16.187 13.324 40.714 1.00 0.00 H ATOM 25 HG3 LYS A 589 16.105 13.925 39.042 1.00 0.00 H ATOM 26 HD2 LYS A 589 17.947 12.307 38.450 1.00 0.00 H ATOM 27 HD3 LYS A 589 17.811 11.635 40.091 1.00 0.00 H ATOM 28 HE2 LYS A 589 15.606 11.775 38.017 1.00 0.00 H ATOM 29 HE3 LYS A 589 15.425 11.154 39.674 1.00 0.00 H ATOM 30 HZ1 LYS A 589 17.224 10.043 37.587 1.00 0.00 H ATOM 31 HZ2 LYS A 589 17.051 9.450 39.170 1.00 0.00 H ATOM 32 HZ3 LYS A 589 15.743 9.376 38.088 1.00 0.00 H ATOM 33 H LYS A 589 16.850 16.469 38.603 1.00 0.00 H ATOM 34 N GLY A 590 18.916 16.504 42.335 1.00 30.64 N ATOM 35 CA GLY A 590 19.981 17.295 42.948 1.00 30.53 C ATOM 36 C GLY A 590 21.244 17.345 42.111 1.00 31.78 C ATOM 37 O GLY A 590 21.748 18.429 41.824 1.00 30.92 O ATOM 38 HA3 GLY A 590 20.224 16.858 43.917 1.00 0.00 H ATOM 39 HA2 GLY A 590 19.619 18.313 43.091 1.00 0.00 H ATOM 40 H GLY A 590 18.460 15.758 42.898 1.00 0.00 H ATOM 41 N TRP A 591 21.729 16.162 41.648 1.00 26.42 N ATOM 42 CA TRP A 591 22.971 16.038 40.869 1.00 25.25 C ATOM 43 C TRP A 591 22.888 16.781 39.530 1.00 25.33 C ATOM 44 O TRP A 591 23.918 17.272 39.068 1.00 25.79 O ATOM 45 CB TRP A 591 23.376 14.557 40.693 1.00 23.73 C ATOM 46 CG TRP A 591 22.508 13.771 39.758 1.00 22.99 C ATOM 47 CD1 TRP A 591 21.449 12.979 40.084 1.00 25.64 C ATOM 48 CD2 TRP A 591 22.685 13.652 38.341 1.00 22.10 C ATOM 49 NE1 TRP A 591 20.942 12.384 38.953 1.00 25.33 N ATOM 50 CE2 TRP A 591 21.694 12.769 37.868 1.00 26.36 C ATOM 51 CE3 TRP A 591 23.609 14.185 37.431 1.00 23.00 C ATOM 52 CZ2 TRP A 591 21.562 12.452 36.508 1.00 24.51 C ATOM 53 CZ3 TRP A 591 23.501 13.838 36.085 1.00 23.61 C ATOM 54 CH2 TRP A 591 22.464 13.010 35.638 1.00 23.68 C ATOM 55 HA TRP A 591 23.763 16.523 41.439 1.00 0.00 H ATOM 56 HB2 TRP A 591 24.397 14.528 40.312 1.00 0.00 H ATOM 57 HB3 TRP A 591 23.341 14.078 41.671 1.00 0.00 H ATOM 58 HE1 TRP A 591 20.122 11.745 38.923 1.00 0.00 H ATOM 59 HD1 TRP A 591 21.061 12.838 41.093 1.00 0.00 H ATOM 60 HZ2 TRP A 591 20.773 11.788 36.156 1.00 0.00 H ATOM 61 HH2 TRP A 591 22.371 12.804 34.572 1.00 0.00 H ATOM 62 HZ3 TRP A 591 24.233 14.216 35.371 1.00 0.00 H ATOM 63 HE3 TRP A 591 24.397 14.858 37.769 1.00 0.00 H ATOM 64 H TRP A 591 21.192 15.296 41.856 1.00 0.00 H ATOM 65 N HIS A 592 21.680 16.984 38.969 1.00 22.77 N ATOM 66 CA HIS A 592 21.492 17.757 37.723 1.00 25.04 C ATOM 67 C HIS A 592 21.994 19.204 37.841 1.00 30.23 C ATOM 68 O HIS A 592 22.410 19.787 36.846 1.00 27.95 O ATOM 69 CB HIS A 592 20.003 17.812 37.353 1.00 27.37 C ATOM 70 CG HIS A 592 19.435 16.535 36.822 1.00 30.62 C ATOM 71 ND1 HIS A 592 18.075 16.386 36.632 1.00 32.99 N ATOM 72 CD2 HIS A 592 20.055 15.392 36.447 1.00 31.83 C ATOM 73 CE1 HIS A 592 17.902 15.161 36.158 1.00 31.58 C ATOM 74 NE2 HIS A 592 19.064 14.515 36.052 1.00 31.33 N ATOM 75 HA HIS A 592 22.074 17.244 36.957 1.00 0.00 H ATOM 76 HB2 HIS A 592 19.442 18.086 38.247 1.00 0.00 H ATOM 77 HB3 HIS A 592 19.872 18.582 36.593 1.00 0.00 H ATOM 78 HD2 HIS A 592 21.128 15.201 36.455 1.00 0.00 H ATOM 79 HE1 HIS A 592 16.935 14.736 35.889 1.00 0.00 H ATOM 80 H HIS A 592 20.842 16.579 39.433 1.00 0.00 H ATOM 81 N GLU A 593 21.966 19.776 39.057 1.00 29.59 N ATOM 82 CA GLU A 593 22.405 21.160 39.315 1.00 30.80 C ATOM 83 C GLU A 593 23.934 21.320 39.186 1.00 36.58 C ATOM 84 O GLU A 593 24.426 22.442 39.032 1.00 37.81 O ATOM 85 CB GLU A 593 21.961 21.606 40.729 1.00 33.26 C ATOM 86 CG GLU A 593 20.461 21.516 40.984 1.00 42.50 C ATOM 87 CD GLU A 593 19.598 22.281 39.998 1.00 63.90 C ATOM 88 OE1 GLU A 593 19.951 23.434 39.668 1.00 48.07 O ATOM 89 OE2 GLU A 593 18.611 21.698 39.497 1.00 66.14 O ATOM 90 HA GLU A 593 21.936 21.790 38.559 1.00 0.00 H ATOM 91 HB2 GLU A 593 22.468 20.975 41.459 1.00 0.00 H ATOM 92 HB3 GLU A 593 22.268 22.642 40.870 1.00 0.00 H ATOM 93 HG2 GLU A 593 20.173 20.466 40.943 1.00 0.00 H ATOM 94 HG3 GLU A 593 20.263 21.907 41.982 1.00 0.00 H ATOM 95 H GLU A 593 21.616 19.213 39.858 1.00 0.00 H ATOM 96 N HIS A 594 24.676 20.209 39.246 1.00 32.91 N ATOM 97 CA HIS A 594 26.139 20.248 39.172 1.00 33.72 C ATOM 98 C HIS A 594 26.667 19.782 37.797 1.00 38.49 C ATOM 99 O HIS A 594 27.877 19.746 37.603 1.00 41.64 O ATOM 100 CB HIS A 594 26.735 19.401 40.310 1.00 34.94 C ATOM 101 CG HIS A 594 26.349 19.915 41.668 1.00 38.96 C ATOM 102 ND1 HIS A 594 25.274 19.391 42.353 1.00 41.01 N ATOM 103 CD2 HIS A 594 26.869 20.935 42.388 1.00 42.46 C ATOM 104 CE1 HIS A 594 25.191 20.078 43.487 1.00 41.59 C ATOM 105 NE2 HIS A 594 26.122 21.023 43.553 1.00 43.07 N ATOM 106 HA HIS A 594 26.456 21.284 39.290 1.00 0.00 H ATOM 107 HB2 HIS A 594 26.378 18.376 40.208 1.00 0.00 H ATOM 108 HB3 HIS A 594 27.822 19.415 40.226 1.00 0.00 H ATOM 109 HD2 HIS A 594 27.712 21.566 42.107 1.00 0.00 H ATOM 110 HE1 HIS A 594 24.452 19.890 44.266 1.00 0.00 H ATOM 111 H HIS A 594 24.200 19.290 39.348 1.00 0.00 H ATOM 112 N VAL A 595 25.783 19.437 36.860 1.00 32.53 N ATOM 113 CA VAL A 595 26.168 18.975 35.500 1.00 32.52 C ATOM 114 C VAL A 595 25.832 20.091 34.520 1.00 40.53 C ATOM 115 O VAL A 595 24.694 20.559 34.485 1.00 42.57 O ATOM 116 CB VAL A 595 25.496 17.617 35.105 1.00 34.79 C ATOM 117 CG1 VAL A 595 25.735 17.258 33.625 1.00 34.71 C ATOM 118 CG2 VAL A 595 26.011 16.492 35.988 1.00 34.01 C ATOM 119 HA VAL A 595 27.238 18.767 35.478 1.00 0.00 H ATOM 120 HB VAL A 595 24.423 17.740 35.253 1.00 0.00 H ATOM 121 HG11 VAL A 595 25.318 18.040 32.991 1.00 0.00 H ATOM 122 HG12 VAL A 595 26.806 17.173 33.442 1.00 0.00 H ATOM 123 HG13 VAL A 595 25.250 16.308 33.400 1.00 0.00 H ATOM 124 HG21 VAL A 595 27.091 16.402 35.867 1.00 0.00 H ATOM 125 HG22 VAL A 595 25.778 16.714 37.029 1.00 0.00 H ATOM 126 HG23 VAL A 595 25.533 15.556 35.698 1.00 0.00 H ATOM 127 H VAL A 595 24.771 19.494 37.093 1.00 0.00 H ATOM 128 N THR A 596 26.839 20.554 33.768 1.00 35.93 N ATOM 129 CA THR A 596 26.674 21.616 32.777 1.00 34.08 C ATOM 130 C THR A 596 26.214 21.007 31.464 1.00 32.55 C ATOM 131 O THR A 596 26.564 19.860 31.156 1.00 29.81 O ATOM 132 CB THR A 596 28.014 22.418 32.593 1.00 41.97 C ATOM 133 OG1 THR A 596 27.901 23.339 31.511 1.00 48.57 O ATOM 134 CG2 THR A 596 29.219 21.538 32.328 1.00 35.38 C ATOM 135 HA THR A 596 25.918 22.321 33.124 1.00 0.00 H ATOM 136 HB THR A 596 28.172 22.934 33.540 1.00 0.00 H ATOM 137 HG1 THR A 596 28.752 23.834 31.410 1.00 0.00 H ATOM 138 HG23 THR A 596 29.330 20.822 33.142 1.00 0.00 H ATOM 139 HG21 THR A 596 29.077 21.003 31.389 1.00 0.00 H ATOM 140 HG22 THR A 596 30.113 22.158 32.263 1.00 0.00 H ATOM 141 H THR A 596 27.784 20.138 33.895 1.00 0.00 H ATOM 142 N GLN A 597 25.515 21.804 30.652 1.00 26.89 N ATOM 143 CA GLN A 597 25.123 21.423 29.301 1.00 26.80 C ATOM 144 C GLN A 597 26.363 21.050 28.470 1.00 29.31 C ATOM 145 O GLN A 597 26.271 20.182 27.600 1.00 26.81 O ATOM 146 CB GLN A 597 24.357 22.559 28.622 1.00 28.67 C ATOM 147 CG GLN A 597 23.942 22.269 27.172 1.00 47.00 C ATOM 148 CD GLN A 597 23.045 21.058 27.018 1.00 67.05 C ATOM 149 OE1 GLN A 597 22.111 20.830 27.797 1.00 61.00 O ATOM 150 NE2 GLN A 597 23.295 20.269 25.982 1.00 61.82 N ATOM 151 HA GLN A 597 24.468 20.554 29.366 1.00 0.00 H ATOM 152 HB2 GLN A 597 23.455 22.756 29.202 1.00 0.00 H ATOM 153 HB3 GLN A 597 24.990 23.446 28.624 1.00 0.00 H ATOM 154 HG2 GLN A 597 23.412 23.140 26.786 1.00 0.00 H ATOM 155 HG3 GLN A 597 24.844 22.104 26.583 1.00 0.00 H ATOM 156 HE22 GLN A 597 24.087 20.485 25.343 1.00 0.00 H ATOM 157 HE21 GLN A 597 22.699 19.435 25.808 1.00 0.00 H ATOM 158 H GLN A 597 25.236 22.743 31.001 1.00 0.00 H ATOM 159 N ASP A 598 27.512 21.736 28.717 1.00 26.70 N ATOM 160 CA ASP A 598 28.782 21.432 28.013 1.00 25.20 C ATOM 161 C ASP A 598 29.228 20.002 28.309 1.00 25.15 C ATOM 162 O ASP A 598 29.706 19.345 27.401 1.00 23.60 O ATOM 163 CB ASP A 598 29.887 22.432 28.399 1.00 26.65 C ATOM 164 CG ASP A 598 29.713 23.797 27.729 1.00 37.10 C ATOM 165 OD1 ASP A 598 28.965 23.885 26.726 1.00 37.93 O ATOM 166 OD2 ASP A 598 30.355 24.754 28.169 1.00 45.26 O ATOM 167 HA ASP A 598 28.603 21.528 26.942 1.00 0.00 H ATOM 168 HB2 ASP A 598 29.870 22.570 29.480 1.00 0.00 H ATOM 169 HB3 ASP A 598 30.851 22.018 28.102 1.00 0.00 H ATOM 170 H ASP A 598 27.499 22.499 29.423 1.00 0.00 H ATOM 171 N LEU A 599 29.041 19.494 29.550 1.00 21.12 N ATOM 172 CA LEU A 599 29.380 18.083 29.797 1.00 21.03 C ATOM 173 C LEU A 599 28.385 17.167 29.068 1.00 21.78 C ATOM 174 O LEU A 599 28.791 16.137 28.526 1.00 21.70 O ATOM 175 CB LEU A 599 29.398 17.715 31.300 1.00 23.11 C ATOM 176 CG LEU A 599 29.553 16.179 31.556 1.00 29.50 C ATOM 177 CD1 LEU A 599 30.965 15.674 31.127 1.00 31.42 C ATOM 178 CD2 LEU A 599 29.303 15.844 33.000 1.00 32.58 C ATOM 179 HA LEU A 599 30.390 17.938 29.413 1.00 0.00 H ATOM 180 HB2 LEU A 599 30.233 18.232 31.774 1.00 0.00 H ATOM 181 HB3 LEU A 599 28.463 18.049 31.750 1.00 0.00 H ATOM 182 HG LEU A 599 28.806 15.671 30.946 1.00 0.00 H ATOM 183 HD21 LEU A 599 30.020 16.377 33.625 1.00 0.00 H ATOM 184 HD22 LEU A 599 28.291 16.143 33.271 1.00 0.00 H ATOM 185 HD23 LEU A 599 29.418 14.770 33.148 1.00 0.00 H ATOM 186 HD11 LEU A 599 31.111 15.866 30.064 1.00 0.00 H ATOM 187 HD12 LEU A 599 31.728 16.201 31.700 1.00 0.00 H ATOM 188 HD13 LEU A 599 31.040 14.603 31.318 1.00 0.00 H ATOM 189 H LEU A 599 28.665 20.090 30.315 1.00 0.00 H ATOM 190 N ARG A 600 27.087 17.506 29.085 1.00 17.94 N ATOM 191 CA ARG A 600 26.094 16.664 28.408 1.00 17.03 C ATOM 192 C ARG A 600 26.395 16.588 26.896 1.00 21.48 C ATOM 193 O ARG A 600 26.377 15.501 26.300 1.00 20.05 O ATOM 194 CB ARG A 600 24.679 17.213 28.633 1.00 16.63 C ATOM 195 CG ARG A 600 24.289 17.294 30.121 1.00 20.76 C ATOM 196 CD ARG A 600 22.813 17.688 30.221 1.00 24.24 C ATOM 197 NE ARG A 600 21.942 16.677 29.599 1.00 25.27 N ATOM 198 CZ ARG A 600 20.649 16.862 29.363 1.00 40.12 C ATOM 199 NH1 ARG A 600 20.065 18.005 29.698 1.00 28.62 N ATOM 200 NH2 ARG A 600 19.929 15.907 28.778 1.00 29.83 N ATOM 201 HA ARG A 600 26.151 15.661 28.830 1.00 0.00 H ATOM 202 HB2 ARG A 600 24.623 18.214 28.205 1.00 0.00 H ATOM 203 HB3 ARG A 600 23.969 16.561 28.124 1.00 0.00 H ATOM 204 HG2 ARG A 600 24.443 16.324 30.594 1.00 0.00 H ATOM 205 HG3 ARG A 600 24.903 18.043 30.621 1.00 0.00 H ATOM 206 HD2 ARG A 600 22.666 18.642 29.715 1.00 0.00 H ATOM 207 HD3 ARG A 600 22.544 17.790 31.272 1.00 0.00 H ATOM 208 HE ARG A 600 22.364 15.766 29.329 1.00 0.00 H ATOM 209 HH12 ARG A 600 19.052 18.145 29.511 1.00 0.00 H ATOM 210 HH11 ARG A 600 20.621 18.761 30.147 1.00 0.00 H ATOM 211 HH22 ARG A 600 18.916 16.057 28.595 1.00 0.00 H ATOM 212 HH21 ARG A 600 20.379 15.011 28.504 1.00 0.00 H ATOM 213 H ARG A 600 26.783 18.369 29.580 1.00 0.00 H ATOM 214 N SER A 601 26.722 17.739 26.285 1.00 18.43 N ATOM 215 CA SER A 601 27.065 17.735 24.836 1.00 17.15 C ATOM 216 C SER A 601 28.328 16.981 24.574 1.00 17.48 C ATOM 217 O SER A 601 28.444 16.318 23.538 1.00 18.51 O ATOM 218 CB SER A 601 27.233 19.159 24.317 1.00 22.91 C ATOM 219 OG SER A 601 26.030 19.860 24.547 1.00 40.37 O ATOM 220 HA SER A 601 26.242 17.245 24.317 1.00 0.00 H ATOM 221 HB2 SER A 601 27.450 19.139 23.249 1.00 0.00 H ATOM 222 HB3 SER A 601 28.052 19.649 24.844 1.00 0.00 H ATOM 223 HG SER A 601 25.837 19.873 25.518 1.00 0.00 H ATOM 224 H SER A 601 26.736 18.629 26.822 1.00 0.00 H ATOM 225 N HIS A 602 29.318 17.093 25.492 1.00 16.12 N ATOM 226 CA HIS A 602 30.575 16.374 25.351 1.00 16.60 C ATOM 227 C HIS A 602 30.342 14.848 25.262 1.00 19.80 C ATOM 228 O HIS A 602 30.963 14.180 24.444 1.00 16.66 O ATOM 229 CB HIS A 602 31.509 16.691 26.563 1.00 18.67 C ATOM 230 CG HIS A 602 32.910 16.220 26.362 1.00 22.18 C ATOM 231 ND1 HIS A 602 33.770 16.860 25.470 1.00 24.27 N ATOM 232 CD2 HIS A 602 33.590 15.218 26.978 1.00 23.90 C ATOM 233 CE1 HIS A 602 34.914 16.182 25.523 1.00 23.45 C ATOM 234 NE2 HIS A 602 34.854 15.184 26.404 1.00 23.31 N ATOM 235 HA HIS A 602 31.048 16.703 24.426 1.00 0.00 H ATOM 236 HB2 HIS A 602 31.524 17.770 26.716 1.00 0.00 H ATOM 237 HB3 HIS A 602 31.103 16.205 27.450 1.00 0.00 H ATOM 238 HD2 HIS A 602 33.216 14.568 27.769 1.00 0.00 H ATOM 239 HE1 HIS A 602 35.792 16.414 24.920 1.00 0.00 H ATOM 240 H HIS A 602 29.176 17.708 26.318 1.00 0.00 H ATOM 241 N LEU A 603 29.449 14.306 26.116 1.00 17.28 N ATOM 242 CA LEU A 603 29.173 12.869 26.138 1.00 15.63 C ATOM 243 C LEU A 603 28.351 12.447 24.928 1.00 20.32 C ATOM 244 O LEU A 603 28.519 11.331 24.448 1.00 22.20 O ATOM 245 CB LEU A 603 28.488 12.479 27.448 1.00 15.38 C ATOM 246 CG LEU A 603 29.382 12.697 28.688 1.00 17.66 C ATOM 247 CD1 LEU A 603 28.625 12.383 29.945 1.00 19.11 C ATOM 248 CD2 LEU A 603 30.647 11.798 28.616 1.00 17.51 C ATOM 249 HA LEU A 603 30.122 12.335 26.082 1.00 0.00 H ATOM 250 HB2 LEU A 603 27.586 13.080 27.560 1.00 0.00 H ATOM 251 HB3 LEU A 603 28.216 11.425 27.397 1.00 0.00 H ATOM 252 HG LEU A 603 29.685 13.744 28.701 1.00 0.00 H ATOM 253 HD21 LEU A 603 30.346 10.751 28.577 1.00 0.00 H ATOM 254 HD22 LEU A 603 31.217 12.047 27.721 1.00 0.00 H ATOM 255 HD23 LEU A 603 31.263 11.968 29.499 1.00 0.00 H ATOM 256 HD11 LEU A 603 27.755 13.036 30.016 1.00 0.00 H ATOM 257 HD12 LEU A 603 28.300 11.343 29.921 1.00 0.00 H ATOM 258 HD13 LEU A 603 29.273 12.543 30.807 1.00 0.00 H ATOM 259 H LEU A 603 28.942 14.928 26.778 1.00 0.00 H ATOM 260 N VAL A 604 27.495 13.342 24.409 1.00 15.87 N ATOM 261 CA VAL A 604 26.735 13.087 23.168 1.00 15.05 C ATOM 262 C VAL A 604 27.772 12.877 22.051 1.00 17.35 C ATOM 263 O VAL A 604 27.672 11.928 21.263 1.00 17.95 O ATOM 264 CB VAL A 604 25.755 14.269 22.833 1.00 18.55 C ATOM 265 CG1 VAL A 604 25.366 14.294 21.341 1.00 19.34 C ATOM 266 CG2 VAL A 604 24.507 14.213 23.710 1.00 17.82 C ATOM 267 HA VAL A 604 26.103 12.206 23.279 1.00 0.00 H ATOM 268 HB VAL A 604 26.289 15.194 23.048 1.00 0.00 H ATOM 269 HG11 VAL A 604 26.264 14.414 20.735 1.00 0.00 H ATOM 270 HG12 VAL A 604 24.872 13.358 21.080 1.00 0.00 H ATOM 271 HG13 VAL A 604 24.688 15.128 21.158 1.00 0.00 H ATOM 272 HG21 VAL A 604 23.988 13.270 23.541 1.00 0.00 H ATOM 273 HG22 VAL A 604 24.797 14.286 24.758 1.00 0.00 H ATOM 274 HG23 VAL A 604 23.848 15.043 23.455 1.00 0.00 H ATOM 275 H VAL A 604 27.362 14.249 24.899 1.00 0.00 H ATOM 276 N HIS A 605 28.786 13.753 21.992 1.00 15.56 N ATOM 277 CA HIS A 605 29.800 13.686 20.923 1.00 16.93 C ATOM 278 C HIS A 605 30.761 12.501 21.106 1.00 20.86 C ATOM 279 O HIS A 605 31.241 11.964 20.108 1.00 20.82 O ATOM 280 CB HIS A 605 30.539 15.027 20.788 1.00 17.91 C ATOM 281 CG HIS A 605 29.686 15.968 20.009 1.00 20.32 C ATOM 282 ND1 HIS A 605 29.041 17.034 20.615 1.00 23.36 N ATOM 283 CD2 HIS A 605 29.313 15.907 18.716 1.00 19.99 C ATOM 284 CE1 HIS A 605 28.317 17.606 19.666 1.00 21.21 C ATOM 285 NE2 HIS A 605 28.448 16.958 18.504 1.00 22.43 N ATOM 286 HA HIS A 605 29.279 13.504 19.983 1.00 0.00 H ATOM 287 HB2 HIS A 605 30.732 15.441 21.778 1.00 0.00 H ATOM 288 HB3 HIS A 605 31.485 14.874 20.269 1.00 0.00 H ATOM 289 HD2 HIS A 605 29.633 15.169 17.980 1.00 0.00 H ATOM 290 HE1 HIS A 605 27.696 18.489 19.813 1.00 0.00 H ATOM 291 H HIS A 605 28.859 14.496 22.716 1.00 0.00 H ATOM 292 N LYS A 606 30.960 12.032 22.355 1.00 17.97 N ATOM 293 CA LYS A 606 31.722 10.804 22.616 1.00 18.76 C ATOM 294 C LYS A 606 30.974 9.599 22.077 1.00 19.53 C ATOM 295 O LYS A 606 31.598 8.690 21.551 1.00 20.77 O ATOM 296 CB LYS A 606 32.006 10.617 24.113 1.00 21.69 C ATOM 297 CG LYS A 606 33.179 11.465 24.568 1.00 37.16 C ATOM 298 CD LYS A 606 33.809 10.891 25.803 1.00 43.97 C ATOM 299 CE LYS A 606 34.990 11.720 26.184 1.00 49.08 C ATOM 300 NZ LYS A 606 36.292 11.003 26.051 1.00 39.01 N ATOM 301 HA LYS A 606 32.680 10.896 22.104 1.00 0.00 H ATOM 302 HB2 LYS A 606 31.120 10.904 24.680 1.00 0.00 H ATOM 303 HB3 LYS A 606 32.233 9.568 24.302 1.00 0.00 H ATOM 304 HG2 LYS A 606 33.923 11.502 23.772 1.00 0.00 H ATOM 305 HG3 LYS A 606 32.828 12.474 24.783 1.00 0.00 H ATOM 306 HD2 LYS A 606 33.084 10.893 26.617 1.00 0.00 H ATOM 307 HD3 LYS A 606 34.130 9.868 25.607 1.00 0.00 H ATOM 308 HE2 LYS A 606 34.872 12.031 27.222 1.00 0.00 H ATOM 309 HE3 LYS A 606 35.014 12.601 25.542 1.00 0.00 H ATOM 310 HZ1 LYS A 606 36.289 10.165 26.666 1.00 0.00 H ATOM 311 HZ2 LYS A 606 36.425 10.708 25.062 1.00 0.00 H ATOM 312 HZ3 LYS A 606 37.066 11.638 26.332 1.00 0.00 H ATOM 313 H LYS A 606 30.561 12.557 23.159 1.00 0.00 H ATOM 314 N LEU A 607 29.638 9.594 22.170 1.00 17.64 N ATOM 315 CA LEU A 607 28.822 8.496 21.612 1.00 17.76 C ATOM 316 C LEU A 607 28.941 8.500 20.099 1.00 24.06 C ATOM 317 O LEU A 607 29.162 7.456 19.489 1.00 23.71 O ATOM 318 CB LEU A 607 27.331 8.641 22.020 1.00 19.06 C ATOM 319 CG LEU A 607 26.980 8.291 23.465 1.00 26.80 C ATOM 320 CD1 LEU A 607 25.727 9.023 23.911 1.00 28.83 C ATOM 321 CD2 LEU A 607 26.796 6.762 23.650 1.00 29.99 C ATOM 322 HA LEU A 607 29.193 7.553 22.013 1.00 0.00 H ATOM 323 HB2 LEU A 607 27.041 9.678 21.851 1.00 0.00 H ATOM 324 HB3 LEU A 607 26.745 7.991 21.370 1.00 0.00 H ATOM 325 HG LEU A 607 27.815 8.612 24.088 1.00 0.00 H ATOM 326 HD21 LEU A 607 25.990 6.414 23.004 1.00 0.00 H ATOM 327 HD22 LEU A 607 27.722 6.251 23.385 1.00 0.00 H ATOM 328 HD23 LEU A 607 26.547 6.550 24.690 1.00 0.00 H ATOM 329 HD11 LEU A 607 25.891 10.098 23.840 1.00 0.00 H ATOM 330 HD12 LEU A 607 24.894 8.739 23.269 1.00 0.00 H ATOM 331 HD13 LEU A 607 25.500 8.756 24.943 1.00 0.00 H ATOM 332 H LEU A 607 29.162 10.385 22.648 1.00 0.00 H ATOM 333 N VAL A 608 28.899 9.686 19.481 1.00 19.40 N ATOM 334 CA VAL A 608 29.030 9.763 18.009 1.00 19.71 C ATOM 335 C VAL A 608 30.421 9.262 17.578 1.00 23.78 C ATOM 336 O VAL A 608 30.572 8.568 16.561 1.00 23.98 O ATOM 337 CB VAL A 608 28.769 11.229 17.535 1.00 23.90 C ATOM 338 CG1 VAL A 608 29.081 11.394 16.036 1.00 24.94 C ATOM 339 CG2 VAL A 608 27.327 11.658 17.842 1.00 23.82 C ATOM 340 HA VAL A 608 28.287 9.120 17.537 1.00 0.00 H ATOM 341 HB VAL A 608 29.442 11.881 18.091 1.00 0.00 H ATOM 342 HG11 VAL A 608 30.128 11.151 15.855 1.00 0.00 H ATOM 343 HG12 VAL A 608 28.446 10.723 15.458 1.00 0.00 H ATOM 344 HG13 VAL A 608 28.889 12.425 15.738 1.00 0.00 H ATOM 345 HG21 VAL A 608 26.634 10.994 17.325 1.00 0.00 H ATOM 346 HG22 VAL A 608 27.153 11.601 18.917 1.00 0.00 H ATOM 347 HG23 VAL A 608 27.174 12.682 17.501 1.00 0.00 H ATOM 348 H VAL A 608 28.774 10.556 20.037 1.00 0.00 H ATOM 349 N GLN A 609 31.448 9.680 18.314 1.00 19.89 N ATOM 350 CA GLN A 609 32.836 9.297 18.032 1.00 19.95 C ATOM 351 C GLN A 609 33.024 7.766 18.135 1.00 27.30 C ATOM 352 O GLN A 609 33.848 7.201 17.413 1.00 29.88 O ATOM 353 CB GLN A 609 33.765 10.027 19.008 1.00 20.34 C ATOM 354 CG GLN A 609 35.237 9.541 18.983 1.00 32.56 C ATOM 355 CD GLN A 609 36.050 10.271 20.011 1.00 41.11 C ATOM 356 OE1 GLN A 609 36.812 11.158 19.684 1.00 36.80 O ATOM 357 NE2 GLN A 609 35.844 9.969 21.285 1.00 32.87 N ATOM 358 HA GLN A 609 33.085 9.585 17.011 1.00 0.00 H ATOM 359 HB2 GLN A 609 33.753 11.088 18.760 1.00 0.00 H ATOM 360 HB3 GLN A 609 33.377 9.886 20.017 1.00 0.00 H ATOM 361 HG2 GLN A 609 35.266 8.472 19.196 1.00 0.00 H ATOM 362 HG3 GLN A 609 35.659 9.725 17.995 1.00 0.00 H ATOM 363 HE22 GLN A 609 35.186 9.205 21.538 1.00 0.00 H ATOM 364 HE21 GLN A 609 36.340 10.496 22.031 1.00 0.00 H ATOM 365 H GLN A 609 31.259 10.305 19.124 1.00 0.00 H ATOM 366 N ALA A 610 32.260 7.103 18.999 1.00 25.81 N ATOM 367 CA ALA A 610 32.350 5.639 19.169 1.00 26.50 C ATOM 368 C ALA A 610 31.946 4.917 17.849 1.00 35.96 C ATOM 369 O ALA A 610 32.530 3.883 17.509 1.00 38.18 O ATOM 370 CB ALA A 610 31.462 5.196 20.321 1.00 25.97 C ATOM 371 HA ALA A 610 33.380 5.369 19.402 1.00 0.00 H ATOM 372 HB1 ALA A 610 31.788 5.686 21.239 1.00 0.00 H ATOM 373 HB2 ALA A 610 30.429 5.471 20.108 1.00 0.00 H ATOM 374 HB3 ALA A 610 31.535 4.115 20.439 1.00 0.00 H ATOM 375 H ALA A 610 31.576 7.634 19.575 1.00 0.00 H ATOM 376 N ILE A 611 30.978 5.474 17.109 1.00 34.55 N ATOM 377 CA ILE A 611 30.549 4.929 15.808 1.00 38.12 C ATOM 378 C ILE A 611 31.464 5.456 14.679 1.00 45.06 C ATOM 379 O ILE A 611 31.887 4.671 13.824 1.00 47.20 O ATOM 380 CB ILE A 611 29.065 5.264 15.482 1.00 42.34 C ATOM 381 CG1 ILE A 611 28.151 5.101 16.689 1.00 42.64 C ATOM 382 CG2 ILE A 611 28.537 4.486 14.246 1.00 45.12 C ATOM 383 CD1 ILE A 611 27.578 6.337 16.986 1.00 57.02 C ATOM 384 HA ILE A 611 30.632 3.844 15.875 1.00 0.00 H ATOM 385 HB ILE A 611 29.048 6.321 15.217 1.00 0.00 H ATOM 386 HG12 ILE A 611 27.367 4.378 16.461 1.00 0.00 H ATOM 387 HG13 ILE A 611 28.730 4.750 17.543 1.00 0.00 H ATOM 388 HD11 ILE A 611 28.365 7.056 17.211 1.00 0.00 H ATOM 389 HD12 ILE A 611 27.002 6.684 16.129 1.00 0.00 H ATOM 390 HD13 ILE A 611 26.921 6.233 17.849 1.00 0.00 H ATOM 391 HG21 ILE A 611 29.139 4.741 13.374 1.00 0.00 H ATOM 392 HG22 ILE A 611 28.606 3.415 14.436 1.00 0.00 H ATOM 393 HG23 ILE A 611 27.497 4.758 14.064 1.00 0.00 H ATOM 394 H ILE A 611 30.508 6.329 17.468 1.00 0.00 H ATOM 395 N PHE A 612 31.726 6.784 14.650 1.00 40.90 N ATOM 396 CA PHE A 612 32.531 7.415 13.592 1.00 41.73 C ATOM 397 C PHE A 612 33.755 8.153 14.150 1.00 42.14 C ATOM 398 O PHE A 612 33.725 9.379 14.337 1.00 39.73 O ATOM 399 CB PHE A 612 31.668 8.324 12.700 1.00 45.17 C ATOM 400 CG PHE A 612 30.859 7.480 11.747 1.00 50.18 C ATOM 401 CD1 PHE A 612 31.480 6.760 10.731 1.00 56.52 C ATOM 402 CD2 PHE A 612 29.497 7.299 11.940 1.00 54.40 C ATOM 403 CE1 PHE A 612 30.740 5.914 9.894 1.00 59.48 C ATOM 404 CE2 PHE A 612 28.755 6.466 11.095 1.00 58.84 C ATOM 405 CZ PHE A 612 29.382 5.772 10.084 1.00 58.54 C ATOM 406 HA PHE A 612 32.918 6.612 12.964 1.00 0.00 H ATOM 407 HB2 PHE A 612 30.995 8.912 13.324 1.00 0.00 H ATOM 408 HB3 PHE A 612 32.314 8.994 12.132 1.00 0.00 H ATOM 409 HD2 PHE A 612 28.998 7.813 12.761 1.00 0.00 H ATOM 410 HE2 PHE A 612 27.679 6.366 11.237 1.00 0.00 H ATOM 411 HZ PHE A 612 28.806 5.112 9.436 1.00 0.00 H ATOM 412 HE1 PHE A 612 31.238 5.368 9.093 1.00 0.00 H ATOM 413 HD1 PHE A 612 32.556 6.855 10.584 1.00 0.00 H ATOM 414 H PHE A 612 31.342 7.384 15.408 1.00 0.00 H ATOM 415 N PRO A 613 34.861 7.400 14.366 1.00 38.59 N ATOM 416 CA PRO A 613 36.063 8.006 14.965 1.00 38.72 C ATOM 417 C PRO A 613 36.820 8.973 14.062 1.00 42.62 C ATOM 418 O PRO A 613 37.610 9.748 14.593 1.00 43.05 O ATOM 419 CB PRO A 613 36.938 6.799 15.338 1.00 41.54 C ATOM 420 CG PRO A 613 36.467 5.688 14.476 1.00 47.00 C ATOM 421 CD PRO A 613 35.003 5.930 14.242 1.00 42.23 C ATOM 422 HA PRO A 613 35.783 8.635 15.810 1.00 0.00 H ATOM 423 HD3 PRO A 613 34.708 5.594 13.248 1.00 0.00 H ATOM 424 HD2 PRO A 613 34.400 5.417 14.991 1.00 0.00 H ATOM 425 HG3 PRO A 613 36.617 4.731 14.977 1.00 0.00 H ATOM 426 HG2 PRO A 613 37.007 5.689 13.529 1.00 0.00 H ATOM 427 HB2 PRO A 613 37.988 7.014 15.143 1.00 0.00 H ATOM 428 HB3 PRO A 613 36.810 6.546 16.390 1.00 0.00 H ATOM 429 N THR A 614 36.577 8.957 12.730 1.00 37.95 N ATOM 430 CA THR A 614 37.215 9.884 11.782 1.00 38.30 C ATOM 431 C THR A 614 36.059 10.628 11.078 1.00 40.95 C ATOM 432 O THR A 614 35.527 10.148 10.074 1.00 42.00 O ATOM 433 CB THR A 614 38.190 9.136 10.849 1.00 54.28 C ATOM 434 OG1 THR A 614 37.534 7.991 10.317 1.00 58.26 O ATOM 435 CG2 THR A 614 39.452 8.700 11.566 1.00 55.32 C ATOM 436 HA THR A 614 37.855 10.621 12.267 1.00 0.00 H ATOM 437 HB THR A 614 38.484 9.822 10.054 1.00 0.00 H ATOM 438 HG1 THR A 614 36.735 8.277 9.807 1.00 0.00 H ATOM 439 HG23 THR A 614 39.957 9.575 11.975 1.00 0.00 H ATOM 440 HG21 THR A 614 39.191 8.018 12.376 1.00 0.00 H ATOM 441 HG22 THR A 614 40.112 8.194 10.862 1.00 0.00 H ATOM 442 H THR A 614 35.906 8.255 12.359 1.00 0.00 H ATOM 443 N PRO A 615 35.606 11.765 11.658 1.00 35.44 N ATOM 444 CA PRO A 615 34.381 12.424 11.159 1.00 34.63 C ATOM 445 C PRO A 615 34.605 13.316 9.952 1.00 37.65 C ATOM 446 O PRO A 615 34.122 14.451 9.934 1.00 36.68 O ATOM 447 CB PRO A 615 33.923 13.252 12.368 1.00 36.10 C ATOM 448 CG PRO A 615 35.195 13.631 13.046 1.00 40.20 C ATOM 449 CD PRO A 615 36.116 12.424 12.878 1.00 36.53 C ATOM 450 HA PRO A 615 33.654 11.693 10.805 1.00 0.00 H ATOM 451 HD3 PRO A 615 37.151 12.739 12.747 1.00 0.00 H ATOM 452 HD2 PRO A 615 36.047 11.758 13.738 1.00 0.00 H ATOM 453 HG3 PRO A 615 35.019 13.834 14.103 1.00 0.00 H ATOM 454 HG2 PRO A 615 35.631 14.513 12.576 1.00 0.00 H ATOM 455 HB2 PRO A 615 33.376 14.138 12.047 1.00 0.00 H ATOM 456 HB3 PRO A 615 33.293 12.657 13.029 1.00 0.00 H ATOM 457 N ASP A 616 35.296 12.793 8.936 1.00 33.05 N ATOM 458 CA ASP A 616 35.629 13.559 7.738 1.00 32.95 C ATOM 459 C ASP A 616 34.338 13.939 7.003 1.00 39.54 C ATOM 460 O ASP A 616 33.626 13.048 6.538 1.00 39.01 O ATOM 461 CB ASP A 616 36.593 12.751 6.852 1.00 35.04 C ATOM 462 CG ASP A 616 36.996 13.412 5.548 1.00 42.64 C ATOM 463 OD1 ASP A 616 36.587 14.566 5.309 1.00 43.48 O ATOM 464 OD2 ASP A 616 37.686 12.770 4.759 1.00 48.67 O ATOM 465 HA ASP A 616 36.140 14.483 8.009 1.00 0.00 H ATOM 466 HB2 ASP A 616 37.500 12.563 7.427 1.00 0.00 H ATOM 467 HB3 ASP A 616 36.113 11.802 6.613 1.00 0.00 H ATOM 468 H ASP A 616 35.609 11.803 9.000 1.00 0.00 H ATOM 469 N PRO A 617 34.036 15.259 6.878 1.00 38.62 N ATOM 470 CA PRO A 617 32.785 15.671 6.213 1.00 39.72 C ATOM 471 C PRO A 617 32.711 15.305 4.725 1.00 46.51 C ATOM 472 O PRO A 617 31.627 15.403 4.154 1.00 47.68 O ATOM 473 CB PRO A 617 32.736 17.182 6.448 1.00 41.09 C ATOM 474 CG PRO A 617 34.167 17.577 6.704 1.00 44.26 C ATOM 475 CD PRO A 617 34.770 16.428 7.416 1.00 39.29 C ATOM 476 HA PRO A 617 31.924 15.144 6.623 1.00 0.00 H ATOM 477 HD3 PRO A 617 35.836 16.352 7.200 1.00 0.00 H ATOM 478 HD2 PRO A 617 34.624 16.517 8.493 1.00 0.00 H ATOM 479 HG3 PRO A 617 34.211 18.474 7.321 1.00 0.00 H ATOM 480 HG2 PRO A 617 34.687 17.759 5.763 1.00 0.00 H ATOM 481 HB2 PRO A 617 32.347 17.695 5.569 1.00 0.00 H ATOM 482 HB3 PRO A 617 32.112 17.417 7.310 1.00 0.00 H ATOM 483 N ALA A 618 33.816 14.822 4.115 1.00 45.03 N ATOM 484 CA ALA A 618 33.810 14.324 2.732 1.00 47.36 C ATOM 485 C ALA A 618 33.268 12.879 2.715 1.00 56.05 C ATOM 486 O ALA A 618 32.755 12.418 1.695 1.00 56.65 O ATOM 487 CB ALA A 618 35.208 14.371 2.141 1.00 48.37 C ATOM 488 HA ALA A 618 33.166 14.960 2.125 1.00 0.00 H ATOM 489 HB1 ALA A 618 35.568 15.400 2.145 1.00 0.00 H ATOM 490 HB2 ALA A 618 35.875 13.749 2.738 1.00 0.00 H ATOM 491 HB3 ALA A 618 35.181 13.998 1.117 1.00 0.00 H ATOM 492 H ALA A 618 34.709 14.802 4.647 1.00 0.00 H ATOM 493 N ALA A 619 33.396 12.173 3.857 1.00 54.69 N ATOM 494 CA ALA A 619 32.924 10.802 4.055 1.00 56.33 C ATOM 495 C ALA A 619 31.503 10.808 4.625 1.00 60.79 C ATOM 496 O ALA A 619 30.685 10.006 4.175 1.00 62.51 O ATOM 497 CB ALA A 619 33.864 10.044 4.983 1.00 56.77 C ATOM 498 HA ALA A 619 32.911 10.297 3.089 1.00 0.00 H ATOM 499 HB1 ALA A 619 34.861 10.016 4.544 1.00 0.00 H ATOM 500 HB2 ALA A 619 33.904 10.548 5.948 1.00 0.00 H ATOM 501 HB3 ALA A 619 33.497 9.027 5.118 1.00 0.00 H ATOM 502 H ALA A 619 33.867 12.639 4.659 1.00 0.00 H ATOM 503 N LEU A 620 31.205 11.708 5.602 1.00 54.27 N ATOM 504 CA LEU A 620 29.862 11.826 6.186 1.00 52.72 C ATOM 505 C LEU A 620 29.308 13.256 6.083 1.00 54.19 C ATOM 506 O LEU A 620 29.742 14.159 6.802 1.00 53.98 O ATOM 507 CB LEU A 620 29.757 11.318 7.646 1.00 52.52 C ATOM 508 CG LEU A 620 31.003 11.217 8.522 1.00 57.14 C ATOM 509 CD1 LEU A 620 30.669 11.535 9.946 1.00 56.44 C ATOM 510 CD2 LEU A 620 31.613 9.824 8.455 1.00 59.96 C ATOM 511 HA LEU A 620 29.245 11.163 5.579 1.00 0.00 H ATOM 512 HB2 LEU A 620 29.066 11.986 8.161 1.00 0.00 H ATOM 513 HB3 LEU A 620 29.326 10.318 7.599 1.00 0.00 H ATOM 514 HG LEU A 620 31.727 11.939 8.144 1.00 0.00 H ATOM 515 HD21 LEU A 620 30.883 9.092 8.802 1.00 0.00 H ATOM 516 HD22 LEU A 620 31.892 9.600 7.425 1.00 0.00 H ATOM 517 HD23 LEU A 620 32.498 9.786 9.090 1.00 0.00 H ATOM 518 HD11 LEU A 620 30.273 12.549 10.007 1.00 0.00 H ATOM 519 HD12 LEU A 620 29.922 10.829 10.309 1.00 0.00 H ATOM 520 HD13 LEU A 620 31.570 11.458 10.555 1.00 0.00 H ATOM 521 H LEU A 620 31.958 12.337 5.949 1.00 0.00 H ATOM 522 N LYS A 621 28.296 13.425 5.215 1.00 49.74 N ATOM 523 CA LYS A 621 27.575 14.669 4.922 1.00 49.02 C ATOM 524 C LYS A 621 26.812 15.236 6.132 1.00 49.98 C ATOM 525 O LYS A 621 26.610 14.550 7.136 1.00 49.14 O ATOM 526 CB LYS A 621 26.595 14.440 3.762 1.00 53.06 C ATOM 527 HA LYS A 621 28.330 15.407 4.651 1.00 0.00 H ATOM 528 HB2 LYS A 621 27.148 14.126 2.877 1.00 0.00 H ATOM 529 HB3 LYS A 621 25.881 13.665 4.039 1.00 0.00 H ATOM 530 H LYS A 621 27.990 12.580 4.693 1.00 0.00 H ATOM 531 N ASP A 622 26.376 16.499 6.009 1.00 44.59 N ATOM 532 CA ASP A 622 25.695 17.282 7.038 1.00 42.21 C ATOM 533 C ASP A 622 24.491 16.563 7.666 1.00 41.62 C ATOM 534 O ASP A 622 24.482 16.391 8.883 1.00 38.66 O ATOM 535 CB ASP A 622 25.248 18.632 6.474 1.00 44.54 C ATOM 536 HA ASP A 622 26.426 17.427 7.834 1.00 0.00 H ATOM 537 HB2 ASP A 622 26.120 19.185 6.126 1.00 0.00 H ATOM 538 HB3 ASP A 622 24.564 18.468 5.642 1.00 0.00 H ATOM 539 H ASP A 622 26.538 16.965 5.094 1.00 0.00 H ATOM 540 N ARG A 623 23.483 16.145 6.856 1.00 35.00 N ATOM 541 CA ARG A 623 22.275 15.485 7.382 1.00 32.78 C ATOM 542 C ARG A 623 22.605 14.157 8.068 1.00 32.46 C ATOM 543 O ARG A 623 21.954 13.771 9.045 1.00 30.58 O ATOM 544 CB ARG A 623 21.252 15.272 6.261 1.00 35.73 C ATOM 545 CG ARG A 623 20.549 16.550 5.802 1.00 51.47 C ATOM 546 CD ARG A 623 19.382 16.907 6.706 1.00 69.07 C ATOM 547 NE ARG A 623 18.336 17.634 5.988 1.00 86.78 N ATOM 548 CZ ARG A 623 17.199 18.050 6.538 1.00106.26 C ATOM 549 NH1 ARG A 623 16.952 17.823 7.823 1.00 95.14 N ATOM 550 NH2 ARG A 623 16.303 18.700 5.810 1.00 95.56 N ATOM 551 HA ARG A 623 21.842 16.143 8.136 1.00 0.00 H ATOM 552 HB2 ARG A 623 21.769 14.839 5.404 1.00 0.00 H ATOM 553 HB3 ARG A 623 20.494 14.574 6.617 1.00 0.00 H ATOM 554 HG2 ARG A 623 21.267 17.370 5.811 1.00 0.00 H ATOM 555 HG3 ARG A 623 20.178 16.404 4.787 1.00 0.00 H ATOM 556 HD2 ARG A 623 19.747 17.530 7.523 1.00 0.00 H ATOM 557 HD3 ARG A 623 18.958 15.989 7.112 1.00 0.00 H ATOM 558 HE ARG A 623 18.492 17.839 4.980 1.00 0.00 H ATOM 559 HH12 ARG A 623 16.061 18.151 8.247 1.00 0.00 H ATOM 560 HH11 ARG A 623 17.650 17.317 8.405 1.00 0.00 H ATOM 561 HH22 ARG A 623 15.415 19.023 6.245 1.00 0.00 H ATOM 562 HH21 ARG A 623 16.487 18.887 4.804 1.00 0.00 H ATOM 563 H ARG A 623 23.567 16.296 5.830 1.00 0.00 H ATOM 564 N ARG A 624 23.615 13.460 7.548 1.00 28.91 N ATOM 565 CA ARG A 624 24.067 12.196 8.088 1.00 28.36 C ATOM 566 C ARG A 624 24.609 12.391 9.505 1.00 31.21 C ATOM 567 O ARG A 624 24.268 11.620 10.409 1.00 27.18 O ATOM 568 CB ARG A 624 25.123 11.582 7.168 1.00 30.42 C ATOM 569 CG ARG A 624 25.477 10.157 7.572 1.00 32.26 C ATOM 570 CD ARG A 624 26.370 9.529 6.522 1.00 35.40 C ATOM 571 NE ARG A 624 26.813 8.205 6.944 1.00 34.07 N ATOM 572 CZ ARG A 624 27.750 7.507 6.314 1.00 48.57 C ATOM 573 NH1 ARG A 624 28.326 7.992 5.223 1.00 39.94 N ATOM 574 NH2 ARG A 624 28.124 6.319 6.777 1.00 38.78 N ATOM 575 HA ARG A 624 23.225 11.507 8.144 1.00 0.00 H ATOM 576 HB2 ARG A 624 24.739 11.573 6.148 1.00 0.00 H ATOM 577 HB3 ARG A 624 26.024 12.194 7.210 1.00 0.00 H ATOM 578 HG2 ARG A 624 25.999 10.172 8.529 1.00 0.00 H ATOM 579 HG3 ARG A 624 24.563 9.571 7.667 1.00 0.00 H ATOM 580 HD2 ARG A 624 27.241 10.165 6.367 1.00 0.00 H ATOM 581 HD3 ARG A 624 25.816 9.440 5.588 1.00 0.00 H ATOM 582 HE ARG A 624 26.370 7.784 7.786 1.00 0.00 H ATOM 583 HH12 ARG A 624 29.060 7.441 4.733 1.00 0.00 H ATOM 584 HH11 ARG A 624 28.044 8.924 4.857 1.00 0.00 H ATOM 585 HH22 ARG A 624 28.858 5.775 6.281 1.00 0.00 H ATOM 586 HH21 ARG A 624 27.682 5.933 7.636 1.00 0.00 H ATOM 587 H ARG A 624 24.102 13.843 6.713 1.00 0.00 H HETATM 588 N MSE A 625 25.424 13.443 9.702 1.00 30.44 N HETATM 589 CA MSE A 625 25.992 13.784 11.007 1.00 31.38 C HETATM 590 C MSE A 625 24.867 14.150 11.974 1.00 30.42 C HETATM 591 O MSE A 625 24.864 13.673 13.103 1.00 30.27 O HETATM 592 CB MSE A 625 27.003 14.945 10.852 1.00 35.63 C HETATM 593 CG MSE A 625 27.504 15.530 12.174 1.00 46.46 C HETATM 594 SE MSE A 625 28.349 14.245 13.391 1.00 59.79 S HETATM 595 CE MSE A 625 29.914 13.875 12.399 1.00 57.45 C HETATM 596 HE3 MSE A 625 30.525 13.154 12.942 1.00 0.00 H HETATM 597 HE2 MSE A 625 30.478 14.797 12.256 1.00 0.00 H HETATM 598 HE1 MSE A 625 29.638 13.461 11.429 1.00 0.00 H HETATM 599 HG2 MSE A 625 28.233 16.307 11.944 1.00 0.00 H HETATM 600 HG1 MSE A 625 26.653 15.974 12.690 1.00 0.00 H HETATM 601 HB2 MSE A 625 26.522 15.743 10.287 1.00 0.00 H HETATM 602 HB1 MSE A 625 27.864 14.575 10.295 1.00 0.00 H HETATM 603 HA MSE A 625 26.526 12.926 11.414 1.00 0.00 H HETATM 604 H MSE A 625 25.662 14.043 8.887 1.00 0.00 H ATOM 605 N GLU A 626 23.913 14.984 11.536 1.00 24.59 N ATOM 606 CA GLU A 626 22.775 15.397 12.357 1.00 24.92 C ATOM 607 C GLU A 626 21.956 14.189 12.823 1.00 26.20 C ATOM 608 O GLU A 626 21.489 14.181 13.960 1.00 24.92 O ATOM 609 CB GLU A 626 21.878 16.390 11.587 1.00 27.49 C ATOM 610 CG GLU A 626 22.622 17.703 11.331 1.00 37.56 C ATOM 611 CD GLU A 626 21.989 18.778 10.464 1.00 65.32 C ATOM 612 OE1 GLU A 626 21.229 18.448 9.525 1.00 58.23 O ATOM 613 OE2 GLU A 626 22.339 19.961 10.675 1.00 59.25 O ATOM 614 HA GLU A 626 23.170 15.897 13.241 1.00 0.00 H ATOM 615 HB2 GLU A 626 21.592 15.948 10.632 1.00 0.00 H ATOM 616 HB3 GLU A 626 20.983 16.594 12.174 1.00 0.00 H ATOM 617 HG2 GLU A 626 22.809 18.154 12.305 1.00 0.00 H ATOM 618 HG3 GLU A 626 23.572 17.441 10.865 1.00 0.00 H ATOM 619 H GLU A 626 23.985 15.355 10.567 1.00 0.00 H ATOM 620 N ASN A 627 21.791 13.177 11.975 1.00 22.06 N ATOM 621 CA ASN A 627 21.054 11.960 12.364 1.00 22.86 C ATOM 622 C ASN A 627 21.759 11.213 13.536 1.00 23.93 C ATOM 623 O ASN A 627 21.099 10.707 14.438 1.00 21.72 O ATOM 624 CB ASN A 627 20.898 11.014 11.154 1.00 25.94 C ATOM 625 CG ASN A 627 20.287 9.691 11.506 1.00 30.11 C ATOM 626 OD1 ASN A 627 20.894 8.608 11.374 1.00 25.91 O ATOM 627 ND2 ASN A 627 19.066 9.750 11.951 1.00 19.70 N ATOM 628 HA ASN A 627 20.067 12.270 12.707 1.00 0.00 H ATOM 629 HB2 ASN A 627 20.264 11.502 10.414 1.00 0.00 H ATOM 630 HB3 ASN A 627 21.884 10.836 10.725 1.00 0.00 H ATOM 631 HD22 ASN A 627 18.592 10.670 12.048 1.00 0.00 H ATOM 632 HD21 ASN A 627 18.564 8.877 12.210 1.00 0.00 H ATOM 633 H ASN A 627 22.190 13.246 11.017 1.00 0.00 H ATOM 634 N LEU A 628 23.072 11.070 13.470 1.00 23.76 N ATOM 635 CA LEU A 628 23.839 10.383 14.518 1.00 24.51 C ATOM 636 C LEU A 628 23.780 11.153 15.827 1.00 25.87 C ATOM 637 O LEU A 628 23.603 10.558 16.893 1.00 23.83 O ATOM 638 CB LEU A 628 25.302 10.243 14.082 1.00 25.85 C ATOM 639 CG LEU A 628 25.561 9.422 12.825 1.00 31.60 C ATOM 640 CD1 LEU A 628 27.032 9.552 12.402 1.00 31.98 C ATOM 641 CD2 LEU A 628 25.165 7.943 13.035 1.00 33.17 C ATOM 642 HA LEU A 628 23.400 9.397 14.670 1.00 0.00 H ATOM 643 HB2 LEU A 628 25.694 11.245 13.910 1.00 0.00 H ATOM 644 HB3 LEU A 628 25.849 9.776 14.901 1.00 0.00 H ATOM 645 HG LEU A 628 24.938 9.813 12.021 1.00 0.00 H ATOM 646 HD21 LEU A 628 25.751 7.524 13.853 1.00 0.00 H ATOM 647 HD22 LEU A 628 24.104 7.883 13.279 1.00 0.00 H ATOM 648 HD23 LEU A 628 25.361 7.382 12.121 1.00 0.00 H ATOM 649 HD11 LEU A 628 27.259 10.599 12.199 1.00 0.00 H ATOM 650 HD12 LEU A 628 27.673 9.189 13.205 1.00 0.00 H ATOM 651 HD13 LEU A 628 27.204 8.961 11.503 1.00 0.00 H ATOM 652 H LEU A 628 23.579 11.457 12.648 1.00 0.00 H ATOM 653 N VAL A 629 23.874 12.484 15.741 1.00 21.54 N ATOM 654 CA VAL A 629 23.806 13.347 16.922 1.00 20.59 C ATOM 655 C VAL A 629 22.387 13.241 17.535 1.00 22.62 C ATOM 656 O VAL A 629 22.247 13.203 18.760 1.00 20.61 O ATOM 657 CB VAL A 629 24.231 14.806 16.601 1.00 24.16 C ATOM 658 CG1 VAL A 629 24.000 15.733 17.808 1.00 24.63 C ATOM 659 CG2 VAL A 629 25.699 14.873 16.165 1.00 23.36 C ATOM 660 HA VAL A 629 24.525 13.007 17.667 1.00 0.00 H ATOM 661 HB VAL A 629 23.607 15.149 15.776 1.00 0.00 H ATOM 662 HG11 VAL A 629 22.942 15.729 18.071 1.00 0.00 H ATOM 663 HG12 VAL A 629 24.587 15.378 18.655 1.00 0.00 H ATOM 664 HG13 VAL A 629 24.308 16.746 17.550 1.00 0.00 H ATOM 665 HG21 VAL A 629 26.333 14.494 16.967 1.00 0.00 H ATOM 666 HG22 VAL A 629 25.839 14.265 15.271 1.00 0.00 H ATOM 667 HG23 VAL A 629 25.965 15.907 15.948 1.00 0.00 H ATOM 668 H VAL A 629 23.999 12.920 14.805 1.00 0.00 H ATOM 669 N ALA A 630 21.340 13.184 16.697 1.00 21.65 N ATOM 670 CA ALA A 630 19.957 13.054 17.183 1.00 21.53 C ATOM 671 C ALA A 630 19.785 11.768 18.000 1.00 23.64 C ATOM 672 O ALA A 630 19.150 11.781 19.061 1.00 23.43 O ATOM 673 CB ALA A 630 18.972 13.067 15.994 1.00 23.34 C ATOM 674 HA ALA A 630 19.740 13.903 17.832 1.00 0.00 H ATOM 675 HB1 ALA A 630 19.073 14.006 15.450 1.00 0.00 H ATOM 676 HB2 ALA A 630 19.197 12.234 15.328 1.00 0.00 H ATOM 677 HB3 ALA A 630 17.953 12.970 16.367 1.00 0.00 H ATOM 678 H ALA A 630 21.511 13.233 15.672 1.00 0.00 H ATOM 679 N TYR A 631 20.358 10.661 17.519 1.00 18.77 N ATOM 680 CA TYR A 631 20.254 9.370 18.213 1.00 19.43 C ATOM 681 C TYR A 631 21.082 9.412 19.503 1.00 21.77 C ATOM 682 O TYR A 631 20.593 9.007 20.547 1.00 22.52 O ATOM 683 CB TYR A 631 20.755 8.235 17.295 1.00 23.23 C ATOM 684 CG TYR A 631 20.471 6.820 17.785 1.00 27.15 C ATOM 685 CD1 TYR A 631 19.548 6.578 18.802 1.00 28.39 C ATOM 686 CD2 TYR A 631 21.060 5.723 17.172 1.00 29.57 C ATOM 687 CE1 TYR A 631 19.280 5.283 19.244 1.00 30.06 C ATOM 688 CE2 TYR A 631 20.780 4.423 17.588 1.00 31.31 C ATOM 689 CZ TYR A 631 19.900 4.208 18.632 1.00 37.06 C ATOM 690 OH TYR A 631 19.602 2.923 19.012 1.00 40.17 O ATOM 691 HA TYR A 631 19.211 9.180 18.465 1.00 0.00 H ATOM 692 HB3 TYR A 631 21.834 8.343 17.186 1.00 0.00 H ATOM 693 HB2 TYR A 631 20.279 8.355 16.322 1.00 0.00 H ATOM 694 HD2 TYR A 631 21.756 5.882 16.348 1.00 0.00 H ATOM 695 HE2 TYR A 631 21.254 3.577 17.091 1.00 0.00 H ATOM 696 HE1 TYR A 631 18.585 5.118 20.068 1.00 0.00 H ATOM 697 HD1 TYR A 631 19.026 7.418 19.260 1.00 0.00 H ATOM 698 HH TYR A 631 18.962 2.943 19.767 1.00 0.00 H ATOM 699 H TYR A 631 20.893 10.715 16.629 1.00 0.00 H ATOM 700 N ALA A 632 22.283 9.978 19.448 1.00 18.52 N ATOM 701 CA ALA A 632 23.152 10.095 20.634 1.00 19.35 C ATOM 702 C ALA A 632 22.492 10.943 21.726 1.00 22.34 C ATOM 703 O ALA A 632 22.565 10.586 22.907 1.00 22.01 O ATOM 704 CB ALA A 632 24.501 10.677 20.243 1.00 19.74 C ATOM 705 HA ALA A 632 23.307 9.096 21.040 1.00 0.00 H ATOM 706 HB1 ALA A 632 24.979 10.024 19.513 1.00 0.00 H ATOM 707 HB2 ALA A 632 24.356 11.666 19.808 1.00 0.00 H ATOM 708 HB3 ALA A 632 25.131 10.757 21.129 1.00 0.00 H ATOM 709 H ALA A 632 22.622 10.351 18.538 1.00 0.00 H ATOM 710 N LYS A 633 21.784 12.016 21.335 1.00 18.54 N ATOM 711 CA LYS A 633 21.052 12.879 22.266 1.00 18.46 C ATOM 712 C LYS A 633 19.957 12.114 22.996 1.00 22.52 C ATOM 713 O LYS A 633 19.745 12.376 24.171 1.00 22.57 O ATOM 714 CB LYS A 633 20.447 14.094 21.553 1.00 20.86 C ATOM 715 CG LYS A 633 21.477 15.180 21.310 1.00 23.07 C ATOM 716 CD LYS A 633 20.961 16.317 20.417 1.00 38.96 C ATOM 717 CE LYS A 633 20.028 17.283 21.120 1.00 59.96 C ATOM 718 NZ LYS A 633 20.732 18.117 22.142 1.00 72.99 N ATOM 719 HA LYS A 633 21.777 13.232 22.999 1.00 0.00 H ATOM 720 HB2 LYS A 633 20.040 13.773 20.594 1.00 0.00 H ATOM 721 HB3 LYS A 633 19.645 14.501 22.169 1.00 0.00 H ATOM 722 HG2 LYS A 633 21.770 15.601 22.272 1.00 0.00 H ATOM 723 HG3 LYS A 633 22.347 14.731 20.831 1.00 0.00 H ATOM 724 HD2 LYS A 633 21.819 16.878 20.047 1.00 0.00 H ATOM 725 HD3 LYS A 633 20.427 15.876 19.576 1.00 0.00 H ATOM 726 HE2 LYS A 633 19.242 16.713 21.615 1.00 0.00 H ATOM 727 HE3 LYS A 633 19.583 17.943 20.376 1.00 0.00 H ATOM 728 HZ1 LYS A 633 21.154 17.497 22.862 1.00 0.00 H ATOM 729 HZ2 LYS A 633 21.480 18.672 21.679 1.00 0.00 H ATOM 730 HZ3 LYS A 633 20.050 18.760 22.593 1.00 0.00 H ATOM 731 H LYS A 633 21.754 12.245 20.321 1.00 0.00 H ATOM 732 N LYS A 634 19.307 11.139 22.339 1.00 20.24 N ATOM 733 CA LYS A 634 18.266 10.317 22.989 1.00 20.69 C ATOM 734 C LYS A 634 18.868 9.392 24.002 1.00 26.61 C ATOM 735 O LYS A 634 18.284 9.202 25.064 1.00 24.90 O ATOM 736 CB LYS A 634 17.495 9.491 21.972 1.00 23.05 C ATOM 737 CG LYS A 634 16.665 10.339 21.043 1.00 23.84 C ATOM 738 CD LYS A 634 15.946 9.462 20.071 1.00 30.27 C ATOM 739 CE LYS A 634 15.173 10.323 19.095 1.00 27.49 C ATOM 740 NZ LYS A 634 14.533 9.461 18.088 1.00 30.70 N ATOM 741 HA LYS A 634 17.582 11.007 23.483 1.00 0.00 H ATOM 742 HB2 LYS A 634 18.206 8.916 21.378 1.00 0.00 H ATOM 743 HB3 LYS A 634 16.834 8.809 22.506 1.00 0.00 H ATOM 744 HG2 LYS A 634 15.939 10.909 21.623 1.00 0.00 H ATOM 745 HG3 LYS A 634 17.315 11.026 20.500 1.00 0.00 H ATOM 746 HD2 LYS A 634 16.668 8.853 19.527 1.00 0.00 H ATOM 747 HD3 LYS A 634 15.256 8.812 20.609 1.00 0.00 H ATOM 748 HE2 LYS A 634 15.854 11.016 18.602 1.00 0.00 H ATOM 749 HE3 LYS A 634 14.409 10.886 19.631 1.00 0.00 H ATOM 750 HZ1 LYS A 634 15.264 8.925 17.578 1.00 0.00 H ATOM 751 HZ2 LYS A 634 13.884 8.801 18.561 1.00 0.00 H ATOM 752 HZ3 LYS A 634 14.001 10.051 17.416 1.00 0.00 H ATOM 753 H LYS A 634 19.544 10.957 21.343 1.00 0.00 H ATOM 754 N VAL A 635 20.053 8.817 23.683 1.00 23.39 N ATOM 755 CA VAL A 635 20.779 7.908 24.578 1.00 22.76 C ATOM 756 C VAL A 635 21.256 8.699 25.809 1.00 23.93 C ATOM 757 O VAL A 635 21.043 8.260 26.934 1.00 21.08 O ATOM 758 CB VAL A 635 21.958 7.213 23.823 1.00 26.61 C ATOM 759 CG1 VAL A 635 22.833 6.400 24.774 1.00 26.30 C ATOM 760 CG2 VAL A 635 21.418 6.322 22.707 1.00 27.38 C ATOM 761 HA VAL A 635 20.119 7.110 24.918 1.00 0.00 H ATOM 762 HB VAL A 635 22.580 7.994 23.387 1.00 0.00 H ATOM 763 HG11 VAL A 635 23.252 7.060 25.534 1.00 0.00 H ATOM 764 HG12 VAL A 635 22.229 5.630 25.253 1.00 0.00 H ATOM 765 HG13 VAL A 635 23.641 5.932 24.212 1.00 0.00 H ATOM 766 HG21 VAL A 635 20.769 5.558 23.135 1.00 0.00 H ATOM 767 HG22 VAL A 635 20.851 6.929 22.002 1.00 0.00 H ATOM 768 HG23 VAL A 635 22.250 5.845 22.190 1.00 0.00 H ATOM 769 H VAL A 635 20.470 9.031 22.755 1.00 0.00 H ATOM 770 N GLU A 636 21.889 9.867 25.598 1.00 20.19 N ATOM 771 CA GLU A 636 22.368 10.667 26.731 1.00 19.59 C ATOM 772 C GLU A 636 21.184 11.160 27.578 1.00 22.67 C ATOM 773 O GLU A 636 21.297 11.200 28.795 1.00 23.22 O ATOM 774 CB GLU A 636 23.212 11.871 26.233 1.00 19.96 C ATOM 775 CG GLU A 636 23.801 12.731 27.375 1.00 26.26 C ATOM 776 CD GLU A 636 22.877 13.724 28.075 1.00 32.21 C ATOM 777 OE1 GLU A 636 21.810 14.056 27.514 1.00 27.31 O ATOM 778 OE2 GLU A 636 23.212 14.164 29.198 1.00 21.53 O ATOM 779 HA GLU A 636 23.002 10.035 27.352 1.00 0.00 H ATOM 780 HB2 GLU A 636 24.035 11.489 25.630 1.00 0.00 H ATOM 781 HB3 GLU A 636 22.576 12.506 25.616 1.00 0.00 H ATOM 782 HG2 GLU A 636 24.177 12.047 28.135 1.00 0.00 H ATOM 783 HG3 GLU A 636 24.632 13.300 26.957 1.00 0.00 H ATOM 784 H GLU A 636 22.040 10.205 24.626 1.00 0.00 H ATOM 785 N GLY A 637 20.103 11.577 26.916 1.00 21.76 N ATOM 786 CA GLY A 637 18.877 12.090 27.541 1.00 22.84 C ATOM 787 C GLY A 637 18.240 11.073 28.461 1.00 26.56 C ATOM 788 O GLY A 637 17.808 11.423 29.563 1.00 26.48 O ATOM 789 HA3 GLY A 637 18.165 12.351 26.758 1.00 0.00 H ATOM 790 HA2 GLY A 637 19.123 12.981 28.118 1.00 0.00 H ATOM 791 H GLY A 637 20.131 11.536 25.877 1.00 0.00 H ATOM 792 N ASP A 638 18.156 9.808 28.017 1.00 23.03 N ATOM 793 CA ASP A 638 17.619 8.721 28.849 1.00 23.74 C ATOM 794 C ASP A 638 18.479 8.496 30.106 1.00 27.26 C ATOM 795 O ASP A 638 17.924 8.271 31.188 1.00 25.94 O ATOM 796 CB ASP A 638 17.520 7.423 28.058 1.00 26.45 C ATOM 797 HA ASP A 638 16.619 9.023 29.162 1.00 0.00 H ATOM 798 HB2 ASP A 638 16.858 7.569 27.204 1.00 0.00 H ATOM 799 HB3 ASP A 638 18.511 7.137 27.706 1.00 0.00 H ATOM 800 H ASP A 638 18.481 9.590 27.053 1.00 0.00 H HETATM 801 N MSE A 639 19.821 8.578 29.994 1.00 22.96 N HETATM 802 CA MSE A 639 20.682 8.389 31.167 1.00 26.49 C HETATM 803 C MSE A 639 20.551 9.596 32.097 1.00 26.04 C HETATM 804 O MSE A 639 20.490 9.434 33.317 1.00 26.61 O HETATM 805 CB MSE A 639 22.147 8.188 30.727 1.00 31.67 C HETATM 806 CG MSE A 639 22.966 7.379 31.716 1.00 43.80 C HETATM 807 SE MSE A 639 22.545 5.483 31.582 1.00 57.80 S HETATM 808 CE MSE A 639 23.397 5.082 29.823 1.00 53.44 C HETATM 809 HE3 MSE A 639 23.253 4.029 29.583 1.00 0.00 H HETATM 810 HE2 MSE A 639 24.463 5.301 29.879 1.00 0.00 H HETATM 811 HE1 MSE A 639 22.938 5.698 29.050 1.00 0.00 H HETATM 812 HG2 MSE A 639 24.026 7.525 31.506 1.00 0.00 H HETATM 813 HG1 MSE A 639 22.747 7.723 32.727 1.00 0.00 H HETATM 814 HB2 MSE A 639 22.611 9.167 30.612 1.00 0.00 H HETATM 815 HB1 MSE A 639 22.152 7.670 29.768 1.00 0.00 H HETATM 816 HA MSE A 639 20.368 7.496 31.707 1.00 0.00 H HETATM 817 H MSE A 639 20.249 8.777 29.067 1.00 0.00 H ATOM 818 N TYR A 640 20.462 10.808 31.529 1.00 23.72 N ATOM 819 CA TYR A 640 20.338 12.032 32.347 1.00 24.97 C ATOM 820 C TYR A 640 19.069 11.962 33.221 1.00 28.84 C ATOM 821 O TYR A 640 19.112 12.348 34.379 1.00 28.14 O ATOM 822 CB TYR A 640 20.329 13.290 31.461 1.00 24.86 C ATOM 823 CG TYR A 640 20.299 14.621 32.191 1.00 25.90 C ATOM 824 CD1 TYR A 640 21.460 15.174 32.722 1.00 27.47 C ATOM 825 CD2 TYR A 640 19.122 15.362 32.284 1.00 28.21 C ATOM 826 CE1 TYR A 640 21.443 16.411 33.363 1.00 27.43 C ATOM 827 CE2 TYR A 640 19.094 16.601 32.926 1.00 28.30 C ATOM 828 CZ TYR A 640 20.266 17.139 33.423 1.00 33.41 C ATOM 829 OH TYR A 640 20.257 18.390 33.993 1.00 39.68 O ATOM 830 HA TYR A 640 21.206 12.098 33.003 1.00 0.00 H ATOM 831 HB3 TYR A 640 19.448 13.241 30.821 1.00 0.00 H ATOM 832 HB2 TYR A 640 21.227 13.269 30.843 1.00 0.00 H ATOM 833 HD2 TYR A 640 18.205 14.966 31.847 1.00 0.00 H ATOM 834 HE2 TYR A 640 18.153 17.141 33.035 1.00 0.00 H ATOM 835 HE1 TYR A 640 22.353 16.805 33.816 1.00 0.00 H ATOM 836 HD1 TYR A 640 22.400 14.629 32.635 1.00 0.00 H ATOM 837 HH TYR A 640 21.171 18.621 34.294 1.00 0.00 H ATOM 838 H TYR A 640 20.481 10.888 30.492 1.00 0.00 H ATOM 839 N GLU A 641 17.958 11.479 32.660 1.00 27.43 N ATOM 840 CA GLU A 641 16.676 11.347 33.375 1.00 29.89 C ATOM 841 C GLU A 641 16.675 10.219 34.379 1.00 35.49 C ATOM 842 O GLU A 641 16.050 10.349 35.430 1.00 37.06 O ATOM 843 CB GLU A 641 15.534 11.082 32.381 1.00 31.69 C ATOM 844 CG GLU A 641 15.169 12.269 31.504 1.00 47.21 C ATOM 845 CD GLU A 641 13.992 12.011 30.580 1.00 81.42 C ATOM 846 OE1 GLU A 641 12.878 11.748 31.089 1.00 85.48 O ATOM 847 OE2 GLU A 641 14.183 12.076 29.343 1.00 81.44 O ATOM 848 HA GLU A 641 16.533 12.289 33.905 1.00 0.00 H ATOM 849 HB2 GLU A 641 15.832 10.259 31.732 1.00 0.00 H ATOM 850 HB3 GLU A 641 14.649 10.794 32.949 1.00 0.00 H ATOM 851 HG2 GLU A 641 14.920 13.110 32.151 1.00 0.00 H ATOM 852 HG3 GLU A 641 16.035 12.525 30.894 1.00 0.00 H ATOM 853 H GLU A 641 17.999 11.180 31.665 1.00 0.00 H ATOM 854 N SER A 642 17.311 9.083 34.054 1.00 31.35 N ATOM 855 CA SER A 642 17.239 7.906 34.918 1.00 31.42 C ATOM 856 C SER A 642 18.335 7.795 35.999 1.00 34.27 C ATOM 857 O SER A 642 18.050 7.211 37.049 1.00 35.04 O ATOM 858 CB SER A 642 17.220 6.639 34.068 1.00 37.36 C ATOM 859 OG SER A 642 18.501 6.351 33.532 1.00 46.86 O ATOM 860 HA SER A 642 16.310 8.027 35.475 1.00 0.00 H ATOM 861 HB2 SER A 642 16.515 6.773 33.248 1.00 0.00 H ATOM 862 HB3 SER A 642 16.899 5.802 34.688 1.00 0.00 H ATOM 863 HG SER A 642 18.797 7.105 32.963 1.00 0.00 H ATOM 864 H SER A 642 17.864 9.039 33.174 1.00 0.00 H ATOM 865 N ALA A 643 19.572 8.308 35.775 1.00 27.04 N ATOM 866 CA ALA A 643 20.651 8.190 36.775 1.00 26.47 C ATOM 867 C ALA A 643 20.278 8.892 38.092 1.00 31.60 C ATOM 868 O ALA A 643 19.585 9.914 38.069 1.00 29.26 O ATOM 869 CB ALA A 643 21.950 8.792 36.224 1.00 26.32 C ATOM 870 HA ALA A 643 20.796 7.130 36.981 1.00 0.00 H ATOM 871 HB1 ALA A 643 22.241 8.259 35.319 1.00 0.00 H ATOM 872 HB2 ALA A 643 21.791 9.845 35.992 1.00 0.00 H ATOM 873 HB3 ALA A 643 22.738 8.699 36.971 1.00 0.00 H ATOM 874 H ALA A 643 19.764 8.796 34.877 1.00 0.00 H ATOM 875 N ASN A 644 20.760 8.365 39.220 1.00 30.67 N ATOM 876 CA ASN A 644 20.462 8.933 40.528 1.00 32.49 C ATOM 877 C ASN A 644 21.653 9.659 41.124 1.00 36.72 C ATOM 878 O ASN A 644 21.561 10.145 42.244 1.00 36.83 O ATOM 879 CB ASN A 644 19.938 7.845 41.478 1.00 36.35 C ATOM 880 CG ASN A 644 18.532 7.462 41.120 1.00 53.34 C ATOM 881 OD1 ASN A 644 17.659 8.317 40.894 1.00 47.55 O ATOM 882 ND2 ASN A 644 18.311 6.182 40.938 1.00 51.44 N ATOM 883 HA ASN A 644 19.680 9.680 40.391 1.00 0.00 H ATOM 884 HB2 ASN A 644 20.579 6.966 41.404 1.00 0.00 H ATOM 885 HB3 ASN A 644 19.957 8.222 42.500 1.00 0.00 H ATOM 886 HD22 ASN A 644 19.063 5.491 41.136 1.00 0.00 H ATOM 887 HD21 ASN A 644 17.384 5.858 40.595 1.00 0.00 H ATOM 888 H ASN A 644 21.367 7.523 39.163 1.00 0.00 H ATOM 889 N SER A 645 22.775 9.743 40.378 1.00 28.12 N ATOM 890 CA SER A 645 23.953 10.483 40.810 1.00 26.80 C ATOM 891 C SER A 645 24.768 10.887 39.608 1.00 28.45 C ATOM 892 O SER A 645 24.646 10.288 38.534 1.00 23.94 O ATOM 893 CB SER A 645 24.801 9.671 41.795 1.00 29.00 C ATOM 894 OG SER A 645 25.469 8.587 41.176 1.00 30.67 O ATOM 895 HA SER A 645 23.621 11.379 41.335 1.00 0.00 H ATOM 896 HB2 SER A 645 24.149 9.279 42.576 1.00 0.00 H ATOM 897 HB3 SER A 645 25.545 10.331 42.241 1.00 0.00 H ATOM 898 HG SER A 645 26.000 8.098 41.853 1.00 0.00 H ATOM 899 H SER A 645 22.799 9.260 39.457 1.00 0.00 H ATOM 900 N ARG A 646 25.635 11.877 39.793 1.00 25.06 N ATOM 901 CA ARG A 646 26.522 12.322 38.737 1.00 23.83 C ATOM 902 C ARG A 646 27.509 11.184 38.379 1.00 25.89 C ATOM 903 O ARG A 646 27.763 10.953 37.202 1.00 25.41 O ATOM 904 CB ARG A 646 27.242 13.566 39.220 1.00 28.21 C ATOM 905 CG ARG A 646 27.901 14.374 38.153 1.00 42.22 C ATOM 906 CD ARG A 646 28.558 15.579 38.788 1.00 57.28 C ATOM 907 NE ARG A 646 29.498 15.185 39.840 1.00 61.31 N ATOM 908 CZ ARG A 646 30.110 16.040 40.650 1.00 78.65 C ATOM 909 NH1 ARG A 646 29.907 17.345 40.526 1.00 58.22 N ATOM 910 NH2 ARG A 646 30.937 15.597 41.587 1.00 75.47 N ATOM 911 HA ARG A 646 25.967 12.568 37.832 1.00 0.00 H ATOM 912 HB2 ARG A 646 26.515 14.202 39.724 1.00 0.00 H ATOM 913 HB3 ARG A 646 28.008 13.258 39.931 1.00 0.00 H ATOM 914 HG2 ARG A 646 28.654 13.769 37.648 1.00 0.00 H ATOM 915 HG3 ARG A 646 27.155 14.702 37.429 1.00 0.00 H ATOM 916 HD2 ARG A 646 27.787 16.216 39.222 1.00 0.00 H ATOM 917 HD3 ARG A 646 29.097 16.135 38.021 1.00 0.00 H ATOM 918 HE ARG A 646 29.698 14.172 39.960 1.00 0.00 H ATOM 919 HH12 ARG A 646 30.390 18.009 41.164 1.00 0.00 H ATOM 920 HH11 ARG A 646 29.265 17.704 39.791 1.00 0.00 H ATOM 921 HH22 ARG A 646 31.415 16.270 42.220 1.00 0.00 H ATOM 922 HH21 ARG A 646 31.108 14.576 41.689 1.00 0.00 H ATOM 923 H ARG A 646 25.678 12.345 40.721 1.00 0.00 H ATOM 924 N ASP A 647 27.984 10.418 39.378 1.00 25.27 N ATOM 925 CA ASP A 647 28.873 9.259 39.124 1.00 24.01 C ATOM 926 C ASP A 647 28.205 8.205 38.302 1.00 26.59 C ATOM 927 O ASP A 647 28.815 7.690 37.375 1.00 26.60 O ATOM 928 CB ASP A 647 29.333 8.632 40.433 1.00 24.63 C ATOM 929 CG ASP A 647 30.294 9.506 41.196 1.00 37.40 C ATOM 930 OD1 ASP A 647 30.943 10.368 40.563 1.00 37.41 O ATOM 931 OD2 ASP A 647 30.512 9.231 42.395 1.00 47.09 O ATOM 932 HA ASP A 647 29.729 9.645 38.571 1.00 0.00 H ATOM 933 HB2 ASP A 647 28.459 8.449 41.057 1.00 0.00 H ATOM 934 HB3 ASP A 647 29.825 7.685 40.211 1.00 0.00 H ATOM 935 H ASP A 647 27.720 10.646 40.358 1.00 0.00 H ATOM 936 N GLU A 648 26.954 7.849 38.632 1.00 24.28 N ATOM 937 CA GLU A 648 26.232 6.821 37.862 1.00 24.64 C ATOM 938 C GLU A 648 26.002 7.337 36.437 1.00 25.74 C ATOM 939 O GLU A 648 26.197 6.588 35.489 1.00 24.87 O ATOM 940 CB GLU A 648 24.885 6.504 38.548 1.00 27.73 C ATOM 941 CG GLU A 648 24.083 5.401 37.914 1.00 40.37 C ATOM 942 CD GLU A 648 22.881 5.008 38.750 1.00 56.54 C ATOM 943 OE1 GLU A 648 22.899 3.892 39.314 1.00 65.13 O ATOM 944 OE2 GLU A 648 21.956 5.839 38.903 1.00 38.27 O ATOM 945 HA GLU A 648 26.820 5.904 37.821 1.00 0.00 H ATOM 946 HB2 GLU A 648 25.091 6.220 39.580 1.00 0.00 H ATOM 947 HB3 GLU A 648 24.280 7.410 38.536 1.00 0.00 H ATOM 948 HG2 GLU A 648 23.736 5.737 36.937 1.00 0.00 H ATOM 949 HG3 GLU A 648 24.724 4.528 37.790 1.00 0.00 H ATOM 950 H GLU A 648 26.488 8.305 39.442 1.00 0.00 H ATOM 951 N TYR A 649 25.568 8.604 36.284 1.00 20.43 N ATOM 952 CA TYR A 649 25.363 9.177 34.945 1.00 18.97 C ATOM 953 C TYR A 649 26.627 9.052 34.100 1.00 22.19 C ATOM 954 O TYR A 649 26.591 8.499 33.008 1.00 20.01 O ATOM 955 CB TYR A 649 24.984 10.653 35.078 1.00 20.86 C ATOM 956 CG TYR A 649 25.060 11.456 33.796 1.00 20.00 C ATOM 957 CD1 TYR A 649 24.128 11.273 32.780 1.00 19.69 C ATOM 958 CD2 TYR A 649 26.037 12.437 33.622 1.00 20.12 C ATOM 959 CE1 TYR A 649 24.163 12.051 31.624 1.00 19.16 C ATOM 960 CE2 TYR A 649 26.096 13.200 32.465 1.00 19.72 C ATOM 961 CZ TYR A 649 25.154 13.007 31.470 1.00 22.26 C ATOM 962 OH TYR A 649 25.209 13.774 30.339 1.00 23.40 O ATOM 963 HA TYR A 649 24.561 8.628 34.451 1.00 0.00 H ATOM 964 HB3 TYR A 649 25.657 11.110 35.803 1.00 0.00 H ATOM 965 HB2 TYR A 649 23.961 10.707 35.450 1.00 0.00 H ATOM 966 HD2 TYR A 649 26.769 12.607 34.412 1.00 0.00 H ATOM 967 HE2 TYR A 649 26.880 13.947 32.340 1.00 0.00 H ATOM 968 HE1 TYR A 649 23.414 11.908 30.845 1.00 0.00 H ATOM 969 HD1 TYR A 649 23.358 10.509 32.889 1.00 0.00 H ATOM 970 HH TYR A 649 24.472 13.515 29.730 1.00 0.00 H ATOM 971 H TYR A 649 25.375 9.185 37.125 1.00 0.00 H ATOM 972 N TYR A 650 27.746 9.566 34.612 1.00 20.70 N ATOM 973 CA TYR A 650 28.967 9.586 33.812 1.00 21.19 C ATOM 974 C TYR A 650 29.488 8.172 33.527 1.00 22.71 C ATOM 975 O TYR A 650 29.783 7.847 32.372 1.00 21.20 O ATOM 976 CB TYR A 650 30.061 10.436 34.522 1.00 23.91 C ATOM 977 CG TYR A 650 31.382 10.248 33.835 1.00 26.18 C ATOM 978 CD1 TYR A 650 31.603 10.763 32.563 1.00 27.19 C ATOM 979 CD2 TYR A 650 32.375 9.453 34.400 1.00 28.25 C ATOM 980 CE1 TYR A 650 32.767 10.472 31.860 1.00 29.78 C ATOM 981 CE2 TYR A 650 33.552 9.173 33.712 1.00 29.99 C ATOM 982 CZ TYR A 650 33.751 9.703 32.453 1.00 34.97 C ATOM 983 OH TYR A 650 34.893 9.411 31.768 1.00 41.88 O ATOM 984 HA TYR A 650 28.725 10.043 32.852 1.00 0.00 H ATOM 985 HB3 TYR A 650 30.146 10.120 35.562 1.00 0.00 H ATOM 986 HB2 TYR A 650 29.781 11.489 34.485 1.00 0.00 H ATOM 987 HD2 TYR A 650 32.228 9.042 35.399 1.00 0.00 H ATOM 988 HE2 TYR A 650 34.313 8.538 34.165 1.00 0.00 H ATOM 989 HE1 TYR A 650 32.903 10.848 30.846 1.00 0.00 H ATOM 990 HD1 TYR A 650 30.850 11.407 32.108 1.00 0.00 H ATOM 991 HH TYR A 650 34.876 9.868 30.890 1.00 0.00 H ATOM 992 H TYR A 650 27.749 9.951 35.578 1.00 0.00 H ATOM 993 N HIS A 651 29.673 7.353 34.594 1.00 19.95 N ATOM 994 CA HIS A 651 30.267 6.029 34.413 1.00 20.26 C ATOM 995 C HIS A 651 29.385 5.084 33.606 1.00 23.58 C ATOM 996 O HIS A 651 29.942 4.293 32.834 1.00 20.85 O ATOM 997 CB HIS A 651 30.673 5.396 35.760 1.00 20.82 C ATOM 998 CG HIS A 651 31.856 6.098 36.361 1.00 24.25 C ATOM 999 ND1 HIS A 651 31.745 6.850 37.522 1.00 27.26 N ATOM 1000 CD2 HIS A 651 33.125 6.190 35.900 1.00 24.70 C ATOM 1001 CE1 HIS A 651 32.959 7.332 37.758 1.00 26.73 C ATOM 1002 NE2 HIS A 651 33.812 6.989 36.788 1.00 27.43 N ATOM 1003 HA HIS A 651 31.172 6.186 33.827 1.00 0.00 H ATOM 1004 HB2 HIS A 651 29.832 5.462 36.451 1.00 0.00 H ATOM 1005 HB3 HIS A 651 30.927 4.348 35.598 1.00 0.00 H ATOM 1006 HD2 HIS A 651 33.526 5.723 35.001 1.00 0.00 H ATOM 1007 HE1 HIS A 651 33.226 7.930 38.630 1.00 0.00 H ATOM 1008 H HIS A 651 29.391 7.669 35.544 1.00 0.00 H ATOM 1009 N LEU A 652 28.036 5.186 33.711 1.00 21.95 N ATOM 1010 CA LEU A 652 27.192 4.312 32.879 1.00 23.36 C ATOM 1011 C LEU A 652 27.125 4.791 31.444 1.00 23.98 C ATOM 1012 O LEU A 652 27.037 3.964 30.536 1.00 23.35 O ATOM 1013 CB LEU A 652 25.784 4.111 33.442 1.00 26.27 C ATOM 1014 CG LEU A 652 25.741 3.418 34.847 1.00 34.50 C ATOM 1015 CD1 LEU A 652 24.326 3.023 35.203 1.00 36.93 C ATOM 1016 CD2 LEU A 652 26.644 2.181 34.905 1.00 38.47 C ATOM 1017 HA LEU A 652 27.682 3.338 32.897 1.00 0.00 H ATOM 1018 HB2 LEU A 652 25.309 5.088 33.529 1.00 0.00 H ATOM 1019 HB3 LEU A 652 25.221 3.495 32.741 1.00 0.00 H ATOM 1020 HG LEU A 652 26.112 4.145 35.570 1.00 0.00 H ATOM 1021 HD21 LEU A 652 26.316 1.458 34.158 1.00 0.00 H ATOM 1022 HD22 LEU A 652 27.674 2.475 34.701 1.00 0.00 H ATOM 1023 HD23 LEU A 652 26.582 1.734 35.897 1.00 0.00 H ATOM 1024 HD11 LEU A 652 23.697 3.913 35.228 1.00 0.00 H ATOM 1025 HD12 LEU A 652 23.945 2.328 34.454 1.00 0.00 H ATOM 1026 HD13 LEU A 652 24.319 2.544 36.182 1.00 0.00 H ATOM 1027 H LEU A 652 27.606 5.869 34.367 1.00 0.00 H ATOM 1028 N LEU A 653 27.222 6.109 31.209 1.00 18.10 N ATOM 1029 CA LEU A 653 27.299 6.546 29.826 1.00 18.16 C ATOM 1030 C LEU A 653 28.647 6.150 29.248 1.00 21.40 C ATOM 1031 O LEU A 653 28.719 5.683 28.104 1.00 21.66 O ATOM 1032 CB LEU A 653 27.100 8.053 29.732 1.00 19.40 C ATOM 1033 CG LEU A 653 25.731 8.513 29.328 1.00 26.36 C ATOM 1034 CD1 LEU A 653 25.734 10.009 29.170 1.00 27.05 C ATOM 1035 CD2 LEU A 653 25.248 7.812 27.984 1.00 24.40 C ATOM 1036 HA LEU A 653 26.507 6.064 29.252 1.00 0.00 H ATOM 1037 HB2 LEU A 653 27.320 8.480 30.710 1.00 0.00 H ATOM 1038 HB3 LEU A 653 27.811 8.438 29.001 1.00 0.00 H ATOM 1039 HG LEU A 653 25.028 8.229 30.111 1.00 0.00 H ATOM 1040 HD21 LEU A 653 25.943 8.053 27.180 1.00 0.00 H ATOM 1041 HD22 LEU A 653 25.219 6.732 28.129 1.00 0.00 H ATOM 1042 HD23 LEU A 653 24.252 8.172 27.726 1.00 0.00 H ATOM 1043 HD11 LEU A 653 26.010 10.473 30.117 1.00 0.00 H ATOM 1044 HD12 LEU A 653 26.455 10.291 28.402 1.00 0.00 H ATOM 1045 HD13 LEU A 653 24.739 10.344 28.876 1.00 0.00 H ATOM 1046 H LEU A 653 27.241 6.794 31.991 1.00 0.00 H ATOM 1047 N ALA A 654 29.737 6.300 30.039 1.00 20.07 N ATOM 1048 CA ALA A 654 31.075 5.877 29.567 1.00 21.06 C ATOM 1049 C ALA A 654 31.068 4.388 29.223 1.00 24.27 C ATOM 1050 O ALA A 654 31.620 3.989 28.201 1.00 23.65 O ATOM 1051 CB ALA A 654 32.141 6.181 30.622 1.00 22.11 C ATOM 1052 HA ALA A 654 31.319 6.441 28.666 1.00 0.00 H ATOM 1053 HB1 ALA A 654 32.159 7.253 30.820 1.00 0.00 H ATOM 1054 HB2 ALA A 654 31.905 5.644 31.541 1.00 0.00 H ATOM 1055 HB3 ALA A 654 33.116 5.862 30.254 1.00 0.00 H ATOM 1056 H ALA A 654 29.633 6.716 30.986 1.00 0.00 H ATOM 1057 N GLU A 655 30.384 3.571 30.026 1.00 22.34 N ATOM 1058 CA GLU A 655 30.287 2.132 29.760 1.00 22.41 C ATOM 1059 C GLU A 655 29.517 1.867 28.445 1.00 28.38 C ATOM 1060 O GLU A 655 29.944 1.018 27.631 1.00 27.49 O ATOM 1061 CB GLU A 655 29.638 1.444 30.965 1.00 25.79 C ATOM 1062 CG GLU A 655 29.075 0.047 30.736 1.00 41.23 C ATOM 1063 CD GLU A 655 29.997 -1.072 30.277 1.00 61.34 C ATOM 1064 OE1 GLU A 655 29.459 -2.119 29.844 1.00 52.59 O ATOM 1065 OE2 GLU A 655 31.239 -0.915 30.346 1.00 50.47 O ATOM 1066 HA GLU A 655 31.283 1.712 29.623 1.00 0.00 H ATOM 1067 HB2 GLU A 655 30.391 1.372 31.749 1.00 0.00 H ATOM 1068 HB3 GLU A 655 28.820 2.078 31.306 1.00 0.00 H ATOM 1069 HG2 GLU A 655 28.633 -0.274 31.679 1.00 0.00 H ATOM 1070 HG3 GLU A 655 28.293 0.141 29.983 1.00 0.00 H ATOM 1071 H GLU A 655 29.907 3.965 30.862 1.00 0.00 H ATOM 1072 N LYS A 656 28.430 2.617 28.190 1.00 25.03 N ATOM 1073 CA LYS A 656 27.702 2.471 26.915 1.00 26.44 C ATOM 1074 C LYS A 656 28.599 2.881 25.703 1.00 29.29 C ATOM 1075 O LYS A 656 28.609 2.207 24.661 1.00 30.09 O ATOM 1076 CB LYS A 656 26.422 3.328 26.943 1.00 30.50 C ATOM 1077 CG LYS A 656 25.557 3.214 25.663 1.00 44.57 C ATOM 1078 CD LYS A 656 24.388 2.232 25.782 1.00 59.06 C ATOM 1079 CE LYS A 656 23.225 2.784 26.584 1.00 74.84 C ATOM 1080 NZ LYS A 656 22.095 1.819 26.653 1.00 83.54 N ATOM 1081 HA LYS A 656 27.432 1.422 26.793 1.00 0.00 H ATOM 1082 HB2 LYS A 656 25.818 3.014 27.794 1.00 0.00 H ATOM 1083 HB3 LYS A 656 26.711 4.371 27.070 1.00 0.00 H ATOM 1084 HG2 LYS A 656 25.154 4.200 25.434 1.00 0.00 H ATOM 1085 HG3 LYS A 656 26.198 2.886 24.845 1.00 0.00 H ATOM 1086 HD2 LYS A 656 24.035 1.990 24.780 1.00 0.00 H ATOM 1087 HD3 LYS A 656 24.745 1.324 26.269 1.00 0.00 H ATOM 1088 HE2 LYS A 656 22.876 3.703 26.114 1.00 0.00 H ATOM 1089 HE3 LYS A 656 23.566 3.002 27.596 1.00 0.00 H ATOM 1090 HZ1 LYS A 656 21.760 1.611 25.691 1.00 0.00 H ATOM 1091 HZ2 LYS A 656 22.418 0.941 27.107 1.00 0.00 H ATOM 1092 HZ3 LYS A 656 21.320 2.233 27.209 1.00 0.00 H ATOM 1093 H LYS A 656 28.100 3.305 28.897 1.00 0.00 H ATOM 1094 N ILE A 657 29.338 3.986 25.839 1.00 23.16 N ATOM 1095 CA ILE A 657 30.253 4.489 24.801 1.00 23.43 C ATOM 1096 C ILE A 657 31.288 3.394 24.446 1.00 28.23 C ATOM 1097 O ILE A 657 31.502 3.124 23.268 1.00 28.27 O ATOM 1098 CB ILE A 657 30.932 5.819 25.233 1.00 25.21 C ATOM 1099 CG1 ILE A 657 29.915 6.979 25.237 1.00 22.15 C ATOM 1100 CG2 ILE A 657 32.175 6.164 24.347 1.00 28.13 C ATOM 1101 CD1 ILE A 657 30.227 8.155 26.197 1.00 24.58 C ATOM 1102 HA ILE A 657 29.677 4.719 23.904 1.00 0.00 H ATOM 1103 HB ILE A 657 31.297 5.678 26.250 1.00 0.00 H ATOM 1104 HG12 ILE A 657 29.862 7.380 24.225 1.00 0.00 H ATOM 1105 HG13 ILE A 657 28.944 6.570 25.515 1.00 0.00 H ATOM 1106 HD11 ILE A 657 30.268 7.785 27.221 1.00 0.00 H ATOM 1107 HD12 ILE A 657 31.188 8.596 25.930 1.00 0.00 H ATOM 1108 HD13 ILE A 657 29.444 8.909 26.113 1.00 0.00 H ATOM 1109 HG21 ILE A 657 32.912 5.365 24.430 1.00 0.00 H ATOM 1110 HG22 ILE A 657 31.862 6.265 23.308 1.00 0.00 H ATOM 1111 HG23 ILE A 657 32.614 7.101 24.688 1.00 0.00 H ATOM 1112 H ILE A 657 29.263 4.521 26.728 1.00 0.00 H ATOM 1113 N TYR A 658 31.897 2.761 25.450 1.00 25.83 N ATOM 1114 CA TYR A 658 32.901 1.712 25.231 1.00 27.74 C ATOM 1115 C TYR A 658 32.314 0.475 24.654 1.00 34.16 C ATOM 1116 O TYR A 658 32.975 -0.191 23.857 1.00 37.02 O ATOM 1117 CB TYR A 658 33.630 1.379 26.518 1.00 29.68 C ATOM 1118 CG TYR A 658 34.500 2.515 26.975 1.00 31.78 C ATOM 1119 CD1 TYR A 658 35.439 3.088 26.120 1.00 34.41 C ATOM 1120 CD2 TYR A 658 34.408 3.007 28.269 1.00 32.44 C ATOM 1121 CE1 TYR A 658 36.230 4.154 26.531 1.00 36.92 C ATOM 1122 CE2 TYR A 658 35.183 4.084 28.688 1.00 34.73 C ATOM 1123 CZ TYR A 658 36.105 4.643 27.821 1.00 43.81 C ATOM 1124 OH TYR A 658 36.883 5.688 28.243 1.00 49.76 O ATOM 1125 HA TYR A 658 33.611 2.113 24.507 1.00 0.00 H ATOM 1126 HB3 TYR A 658 34.254 0.500 26.354 1.00 0.00 H ATOM 1127 HB2 TYR A 658 32.896 1.162 27.294 1.00 0.00 H ATOM 1128 HD2 TYR A 658 33.716 2.541 28.970 1.00 0.00 H ATOM 1129 HE2 TYR A 658 35.064 4.485 29.694 1.00 0.00 H ATOM 1130 HE1 TYR A 658 36.945 4.603 25.842 1.00 0.00 H ATOM 1131 HD1 TYR A 658 35.555 2.693 25.111 1.00 0.00 H ATOM 1132 HH TYR A 658 37.484 5.968 27.508 1.00 0.00 H ATOM 1133 H TYR A 658 31.651 3.021 26.427 1.00 0.00 H ATOM 1134 N LYS A 659 31.085 0.153 25.039 1.00 32.15 N ATOM 1135 CA LYS A 659 30.370 -0.999 24.507 1.00 33.76 C ATOM 1136 C LYS A 659 30.151 -0.814 23.006 1.00 39.85 C ATOM 1137 O LYS A 659 30.430 -1.734 22.234 1.00 41.27 O ATOM 1138 CB LYS A 659 29.032 -1.150 25.228 1.00 37.11 C ATOM 1139 CG LYS A 659 28.374 -2.500 25.039 1.00 55.54 C ATOM 1140 CD LYS A 659 26.987 -2.522 25.650 1.00 67.22 C ATOM 1141 CE LYS A 659 26.966 -3.083 27.052 1.00 81.54 C ATOM 1142 NZ LYS A 659 25.572 -3.278 27.532 1.00 94.11 N ATOM 1143 HA LYS A 659 30.957 -1.903 24.668 1.00 0.00 H ATOM 1144 HB2 LYS A 659 29.199 -0.997 26.294 1.00 0.00 H ATOM 1145 HB3 LYS A 659 28.353 -0.383 24.854 1.00 0.00 H ATOM 1146 HG2 LYS A 659 28.297 -2.713 23.973 1.00 0.00 H ATOM 1147 HG3 LYS A 659 28.986 -3.265 25.517 1.00 0.00 H ATOM 1148 HD2 LYS A 659 26.604 -1.502 25.678 1.00 0.00 H ATOM 1149 HD3 LYS A 659 26.340 -3.134 25.021 1.00 0.00 H ATOM 1150 HE2 LYS A 659 27.479 -2.391 27.720 1.00 0.00 H ATOM 1151 HE3 LYS A 659 27.482 -4.043 27.059 1.00 0.00 H ATOM 1152 HZ1 LYS A 659 25.076 -2.364 27.532 1.00 0.00 H ATOM 1153 HZ2 LYS A 659 25.079 -3.942 26.901 1.00 0.00 H ATOM 1154 HZ3 LYS A 659 25.590 -3.664 28.497 1.00 0.00 H ATOM 1155 H LYS A 659 30.613 0.748 25.750 1.00 0.00 H ATOM 1156 N ILE A 660 29.689 0.391 22.591 1.00 33.74 N ATOM 1157 CA ILE A 660 29.440 0.753 21.195 1.00 32.95 C ATOM 1158 C ILE A 660 30.746 0.746 20.416 1.00 36.78 C ATOM 1159 O ILE A 660 30.771 0.251 19.288 1.00 39.91 O ATOM 1160 CB ILE A 660 28.725 2.125 21.058 1.00 35.72 C ATOM 1161 CG1 ILE A 660 27.292 2.060 21.611 1.00 37.33 C ATOM 1162 CG2 ILE A 660 28.729 2.629 19.596 1.00 36.32 C ATOM 1163 CD1 ILE A 660 26.699 3.466 21.856 1.00 42.17 C ATOM 1164 HA ILE A 660 28.767 0.005 20.776 1.00 0.00 H ATOM 1165 HB ILE A 660 29.287 2.844 21.654 1.00 0.00 H ATOM 1166 HG12 ILE A 660 26.662 1.532 20.895 1.00 0.00 H ATOM 1167 HG13 ILE A 660 27.303 1.514 22.554 1.00 0.00 H ATOM 1168 HD11 ILE A 660 27.318 3.999 22.577 1.00 0.00 H ATOM 1169 HD12 ILE A 660 26.676 4.018 20.916 1.00 0.00 H ATOM 1170 HD13 ILE A 660 25.686 3.369 22.246 1.00 0.00 H ATOM 1171 HG21 ILE A 660 29.758 2.742 19.255 1.00 0.00 H ATOM 1172 HG22 ILE A 660 28.212 1.908 18.963 1.00 0.00 H ATOM 1173 HG23 ILE A 660 28.219 3.591 19.543 1.00 0.00 H ATOM 1174 H ILE A 660 29.498 1.110 23.317 1.00 0.00 H ATOM 1175 N GLN A 661 31.806 1.324 20.985 1.00 30.57 N ATOM 1176 CA GLN A 661 33.131 1.392 20.367 1.00 32.98 C ATOM 1177 C GLN A 661 33.642 -0.024 20.040 1.00 42.30 C ATOM 1178 O GLN A 661 34.165 -0.248 18.949 1.00 44.33 O ATOM 1179 CB GLN A 661 34.109 2.122 21.301 1.00 34.23 C ATOM 1180 CG GLN A 661 35.436 2.492 20.665 1.00 49.59 C ATOM 1181 CD GLN A 661 36.360 3.062 21.703 1.00 75.13 C ATOM 1182 OE1 GLN A 661 36.206 4.204 22.153 1.00 71.91 O ATOM 1183 NE2 GLN A 661 37.312 2.257 22.142 1.00 73.85 N ATOM 1184 HA GLN A 661 33.059 1.952 19.434 1.00 0.00 H ATOM 1185 HB2 GLN A 661 33.630 3.038 21.646 1.00 0.00 H ATOM 1186 HB3 GLN A 661 34.310 1.475 22.155 1.00 0.00 H ATOM 1187 HG2 GLN A 661 35.888 1.602 20.228 1.00 0.00 H ATOM 1188 HG3 GLN A 661 35.268 3.233 19.884 1.00 0.00 H ATOM 1189 HE22 GLN A 661 37.412 1.303 21.741 1.00 0.00 H ATOM 1190 HE21 GLN A 661 37.961 2.578 22.889 1.00 0.00 H ATOM 1191 H GLN A 661 31.683 1.752 21.925 1.00 0.00 H ATOM 1192 N LYS A 662 33.431 -0.975 20.957 1.00 40.13 N ATOM 1193 CA LYS A 662 33.821 -2.380 20.791 1.00 41.81 C ATOM 1194 C LYS A 662 33.048 -3.016 19.628 1.00 49.08 C ATOM 1195 O LYS A 662 33.661 -3.597 18.727 1.00 49.64 O ATOM 1196 CB LYS A 662 33.591 -3.156 22.101 1.00 43.67 C ATOM 1197 HA LYS A 662 34.884 -2.425 20.553 1.00 0.00 H ATOM 1198 HB2 LYS A 662 34.190 -2.711 22.895 1.00 0.00 H ATOM 1199 HB3 LYS A 662 32.536 -3.108 22.370 1.00 0.00 H ATOM 1200 H LYS A 662 32.961 -0.701 21.843 1.00 0.00 H ATOM 1201 N GLU A 663 31.707 -2.861 19.632 1.00 45.93 N ATOM 1202 CA GLU A 663 30.797 -3.383 18.617 1.00 46.31 C ATOM 1203 C GLU A 663 31.080 -2.802 17.219 1.00 51.73 C ATOM 1204 O GLU A 663 30.954 -3.514 16.217 1.00 51.95 O ATOM 1205 CB GLU A 663 29.348 -3.079 19.015 1.00 47.23 C ATOM 1206 CG GLU A 663 28.838 -3.962 20.144 1.00 59.57 C ATOM 1207 CD GLU A 663 27.483 -3.596 20.721 1.00 84.04 C ATOM 1208 OE1 GLU A 663 26.830 -2.669 20.185 1.00 82.87 O ATOM 1209 OE2 GLU A 663 27.077 -4.235 21.719 1.00 73.78 O ATOM 1210 HA GLU A 663 30.956 -4.460 18.562 1.00 0.00 H ATOM 1211 HB2 GLU A 663 29.287 -2.039 19.334 1.00 0.00 H ATOM 1212 HB3 GLU A 663 28.711 -3.228 18.143 1.00 0.00 H ATOM 1213 HG2 GLU A 663 28.774 -4.982 19.766 1.00 0.00 H ATOM 1214 HG3 GLU A 663 29.567 -3.921 20.954 1.00 0.00 H ATOM 1215 H GLU A 663 31.289 -2.327 20.421 1.00 0.00 H ATOM 1216 N CYS A 664 31.482 -1.522 17.153 1.00 46.84 N ATOM 1217 CA CYS A 664 31.769 -0.853 15.891 1.00 46.85 C ATOM 1218 C CYS A 664 33.203 -1.099 15.366 1.00 49.85 C ATOM 1219 O CYS A 664 33.379 -1.138 14.145 1.00 50.93 O ATOM 1220 CB CYS A 664 31.448 0.631 15.994 1.00 46.70 C ATOM 1221 SG CYS A 664 29.679 0.966 16.205 1.00 51.16 S ATOM 1222 HA CYS A 664 31.116 -1.302 15.143 1.00 0.00 H ATOM 1223 HB2 CYS A 664 31.788 1.123 15.083 1.00 0.00 H ATOM 1224 HB3 CYS A 664 31.983 1.043 16.849 1.00 0.00 H ATOM 1225 HG CYS A 664 28.985 0.463 15.124 1.00 0.00 H ATOM 1226 H CYS A 664 31.593 -0.987 18.038 1.00 0.00 H ATOM 1227 N GLU A 665 34.202 -1.315 16.250 1.00 44.57 N ATOM 1228 CA GLU A 665 35.590 -1.573 15.843 1.00 64.95 C ATOM 1229 C GLU A 665 35.725 -2.944 15.175 1.00106.96 C ATOM 1230 O GLU A 665 36.140 -3.024 14.019 1.00 71.52 O ATOM 1231 CB GLU A 665 36.547 -1.477 17.037 1.00 65.62 C ATOM 1232 HA GLU A 665 35.862 -0.805 15.119 1.00 0.00 H ATOM 1233 HB2 GLU A 665 36.491 -0.477 17.466 1.00 0.00 H ATOM 1234 HB3 GLU A 665 36.263 -2.213 17.789 1.00 0.00 H ATOM 1235 H GLU A 665 33.978 -1.298 17.265 1.00 0.00 H TER 1236 GLU A 665 HETATM 1237 O2 KI A 1 25.266 -2.137 14.493 1.00 -0.40 O HETATM 1238 C3 KI A 1 25.938 -1.699 15.410 1.00 0.18 C HETATM 1239 C2 KI A 1 27.443 -1.834 15.384 1.00 0.05 C HETATM 1240 C1 KI A 1 28.473 -1.504 14.408 1.00 0.01 C HETATM 1241 S KI A 1 28.767 0.284 14.462 1.00 -0.18 S HETATM 1242 H5 KI A 1 29.072 0.545 15.386 1.00 0.10 H HETATM 1243 H3 KI A 1 28.137 -1.794 13.402 1.00 0.04 H HETATM 1244 H4 KI A 1 29.402 -2.040 14.653 1.00 0.04 H HETATM 1245 H1 KI A 1 27.598 -2.910 15.554 1.00 0.05 H HETATM 1246 H2 KI A 1 27.758 -1.272 16.276 1.00 0.05 H HETATM 1247 N KI A 1 25.377 -1.073 16.465 1.00 -0.27 N HETATM 1248 C6 KI A 1 23.943 -0.779 16.587 1.00 0.03 C HETATM 1249 C7 KI A 1 23.685 0.722 16.532 1.00 -0.03 C HETATM 1250 C8 KI A 1 24.443 1.456 17.647 1.00 0.07 C HETATM 1251 O1 KI A 1 23.839 1.101 18.893 1.00 -0.42 O HETATM 1252 H10 KI A 1 24.292 1.544 19.601 1.00 0.20 H HETATM 1253 C5 KI A 1 25.895 0.970 17.704 1.00 -0.03 C HETATM 1254 C4 KI A 1 26.124 -0.527 17.605 1.00 0.03 C HETATM 1255 H13 KI A 1 27.197 -0.723 17.465 1.00 0.05 H HETATM 1256 H14 KI A 1 25.780 -1.010 18.531 1.00 0.05 H HETATM 1257 H11 KI A 1 26.321 1.308 18.660 1.00 0.02 H HETATM 1258 H12 KI A 1 26.437 1.444 16.872 1.00 0.02 H HETATM 1259 C9 KI A 1 24.381 2.971 17.478 1.00 0.01 C HETATM 1260 C15 KI A 1 24.457 3.573 16.223 1.00 -0.01 C HETATM 1261 C14 KI A 1 24.422 4.952 16.090 1.00 0.01 C HETATM 1262 C13 KI A 1 24.327 5.754 17.222 1.00 0.10 C HETATM 1263 CL KI A 1 24.309 7.475 17.006 1.00 -0.02 CL HETATM 1264 C11 KI A 1 24.255 5.187 18.493 1.00 0.09 C HETATM 1265 C10 KI A 1 24.277 3.800 18.591 1.00 -0.00 C HETATM 1266 H17 KI A 1 24.210 3.346 19.573 1.00 0.11 H HETATM 1267 C12 KI A 1 24.213 6.020 19.737 1.00 0.38 C HETATM 1268 F1 KI A 1 23.132 6.787 19.798 1.00 -0.22 F HETATM 1269 F2 KI A 1 25.251 6.831 19.808 1.00 -0.22 F HETATM 1270 F3 KI A 1 24.141 5.301 20.838 1.00 -0.22 F HETATM 1271 H16 KI A 1 24.469 5.404 15.106 1.00 0.08 H HETATM 1272 H15 KI A 1 24.545 2.953 15.338 1.00 0.10 H HETATM 1273 H8 KI A 1 22.607 0.905 16.650 1.00 0.02 H HETATM 1274 H9 KI A 1 24.018 1.108 15.557 1.00 0.02 H HETATM 1275 H6 KI A 1 23.576 -1.172 17.547 1.00 0.05 H HETATM 1276 H7 KI A 1 23.404 -1.267 15.761 1.00 0.05 H HETATM 1277 O HOH 1 34.782 11.300 15.742 1.00 28.01 O HETATM 1278 O HOH 2 23.320 9.084 10.047 1.00 26.56 O HETATM 1279 O HOH 3 34.129 7.887 22.038 1.00 28.62 O HETATM 1280 O HOH 4 17.232 11.811 11.541 1.00 35.74 O HETATM 1281 O HOH 5 34.791 7.322 11.037 1.00 47.37 O HETATM 1282 O HOH 6 20.577 14.679 25.266 1.00 33.97 O HETATM 1283 O HOH 7 25.644 1.691 30.788 1.00 38.41 O HETATM 1284 O HOH 8 21.005 13.796 43.392 1.00 37.26 O HETATM 1285 O HOH 9 28.129 -6.474 27.847 1.00 64.13 O HETATM 1286 O HOH 10 34.440 9.027 28.704 1.00 55.49 O HETATM 1287 O HOH 11 25.992 19.420 18.869 1.00 47.52 O HETATM 1288 O HOH 12 20.730 5.842 27.773 1.00 35.54 O HETATM 1289 O HOH 13 29.540 6.935 43.915 1.00 49.36 O HETATM 1290 O HOH 14 26.678 6.267 42.501 1.00 46.36 O HETATM 1291 O HOH 15 17.272 13.588 19.504 1.00 26.40 O HETATM 1292 O HOH 16 21.094 20.398 31.322 1.00 48.56 O HETATM 1293 O HOH 17 28.958 18.740 8.101 1.00 43.70 O HETATM 1294 O HOH 18 19.812 16.983 17.402 1.00 51.92 O HETATM 1295 O HOH 19 28.001 11.265 42.290 1.00 35.68 O HETATM 1296 O HOH 20 26.252 22.078 21.366 1.00 82.87 O HETATM 1297 O HOH 21 29.548 16.197 8.599 1.00 50.25 O HETATM 1298 O HOH 22 34.329 14.001 21.366 1.00 81.84 O HETATM 1299 O HOH 23 16.473 14.263 22.029 1.00 54.63 O HETATM 1300 O HOH 24 16.077 12.988 24.576 1.00 61.76 O HETATM 1301 O HOH 25 20.487 3.735 35.750 1.00 57.80 O HETATM 1302 O HOH 26 22.290 17.093 25.210 1.00 48.42 O HETATM 1303 O HOH 27 21.077 16.692 15.242 1.00 48.51 O CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 588 566 589 604 CONECT 589 588 590 592 603 CONECT 590 589 591 605 CONECT 591 590 CONECT 592 589 593 601 602 CONECT 593 592 594 599 600 CONECT 594 593 595 CONECT 595 594 596 597 598 CONECT 596 595 CONECT 597 595 CONECT 598 595 CONECT 599 593 CONECT 600 593 CONECT 601 592 CONECT 602 592 CONECT 603 589 CONECT 604 588 CONECT 801 794 802 817 CONECT 802 801 803 805 816 CONECT 803 802 804 818 CONECT 804 803 CONECT 805 802 806 814 815 CONECT 806 805 807 812 813 CONECT 807 806 808 CONECT 808 807 809 810 811 CONECT 809 808 CONECT 810 808 CONECT 811 808 CONECT 812 806 CONECT 813 806 CONECT 814 805 CONECT 815 805 CONECT 816 802 CONECT 817 801 CONECT 1237 1238 CONECT 1238 1237 1239 1247 CONECT 1239 1238 1240 1245 1246 CONECT 1240 1239 1241 1243 1244 CONECT 1241 1240 1242 CONECT 1242 1241 CONECT 1243 1240 CONECT 1244 1240 CONECT 1245 1239 CONECT 1246 1239 CONECT 1247 1238 1248 1254 CONECT 1248 1247 1249 1275 1276 CONECT 1249 1248 1250 1273 1274 CONECT 1250 1249 1251 1253 1259 CONECT 1251 1250 1252 CONECT 1252 1251 CONECT 1253 1250 1254 1257 1258 CONECT 1254 1247 1253 1255 1256 CONECT 1255 1254 CONECT 1256 1254 CONECT 1257 1253 CONECT 1258 1253 CONECT 1259 1250 1260 1265 CONECT 1260 1259 1261 1272 CONECT 1261 1260 1262 1271 CONECT 1262 1261 1263 1264 CONECT 1263 1262 CONECT 1264 1262 1265 1267 CONECT 1265 1259 1264 1266 CONECT 1266 1265 CONECT 1267 1264 1268 1269 1270 CONECT 1268 1267 CONECT 1269 1267 CONECT 1270 1267 CONECT 1271 1261 CONECT 1272 1260 CONECT 1273 1249 CONECT 1274 1249 CONECT 1275 1248 CONECT 1276 1248 MASTER 0 0 0 0 0 0 0 0 1302 1 78 6 END
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Structure:
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Related entries of code: 4i9o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4i9o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CREB-binding protein
Ligand Name
KI1
EC.Number
E.C.2.3.1.48
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=1.9uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Am.Chem.Soc. Vol. 135: pp. 3363-3366
Ligand Properties
Formula
C
1
5
H
1
7
ClF
3
NO
2
S
Molecular Weight
367.814
Exact Mass
367.062
No. of atoms
40
No. of bonds
41
Polar Surface Area
79.34
LOGP Value
2.61 (
Computed with XLOGP3
)
3.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
SCCC(=O)N1CCC(CC1)(O)c1ccc(c(c1)C(F)(F)F)Cl
InChI String
InChI=1S/C15H17ClF3NO2S/c16-12-2-1-10(9-11(12)15(17,18)19)14(22)4-6-20(7-5-14)13(21)3-8-23/h1-2,9,22-23H,3-8H2
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P45481
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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