Browse entries in the PDBbind-CN Database
HEADER 2KDH_COMPLEX COMPND 2KDH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 72 MET GLY LYS SER GLU GLU GLU LEU SER ASP LEU PHE ARG SEQRES 2 A 72 MET PHE ASP LYS ASN ALA ASP GLY TYR ILE ASP LEU ASP SEQRES 3 A 72 GLU LEU LYS ILE MET LEU GLN ALA THR GLY GLU THR ILE SEQRES 4 A 72 THR GLU ASP ASP ILE GLU GLU LEU MET LYS ASP GLY ASP SEQRES 5 A 72 LYS ASN ASN ASP GLY ARG ILE ASP TYR ASP GLU PHE LEU SEQRES 6 A 72 GLU PHE MET LYS GLY VAL GLU HET CA A 1 1 HET CA A 2 1 HET KDH A 75 51 ATOM 1 N MET A 90 13.026 8.772 5.221 1.00 2.87 N ATOM 2 CA MET A 90 12.544 7.827 4.172 1.00 2.20 C ATOM 3 C MET A 90 11.014 7.808 4.140 1.00 1.76 C ATOM 4 O MET A 90 10.359 8.101 5.121 1.00 2.23 O ATOM 5 CB MET A 90 13.088 6.460 4.590 1.00 2.68 C ATOM 6 CG MET A 90 13.735 5.777 3.384 1.00 3.11 C ATOM 7 SD MET A 90 15.536 5.808 3.568 1.00 4.08 S ATOM 8 CE MET A 90 15.899 4.409 2.480 1.00 4.71 C ATOM 9 HA MET A 90 12.879 8.112 3.175 1.00 0.00 H ATOM 10 HB2 MET A 90 13.832 6.590 5.376 1.00 0.00 H ATOM 11 HB3 MET A 90 12.271 5.842 4.963 1.00 0.00 H ATOM 12 HG2 MET A 90 13.453 6.305 2.473 1.00 0.00 H ATOM 13 HG3 MET A 90 13.393 4.744 3.324 1.00 0.00 H ATOM 14 HE1 MET A 90 15.408 3.515 2.864 1.00 0.00 H ATOM 15 HE2 MET A 90 15.531 4.625 1.477 1.00 0.00 H ATOM 16 HE3 MET A 90 16.976 4.247 2.446 1.00 0.00 H ATOM 17 HN3 MET A 90 12.669 8.468 6.150 1.00 0.00 H ATOM 18 HN2 MET A 90 12.678 9.729 5.010 1.00 0.00 H ATOM 19 HN1 MET A 90 14.066 8.775 5.232 1.00 0.00 H ATOM 20 N GLY A 91 10.439 7.464 3.020 1.00 1.61 N ATOM 21 CA GLY A 91 8.952 7.425 2.926 1.00 1.31 C ATOM 22 C GLY A 91 8.518 6.147 2.207 1.00 1.37 C ATOM 23 O GLY A 91 8.910 5.890 1.086 1.00 1.61 O ATOM 24 HA3 GLY A 91 8.600 8.293 2.368 1.00 0.00 H ATOM 25 HA2 GLY A 91 8.524 7.441 3.928 1.00 0.00 H ATOM 26 H GLY A 91 11.019 7.217 2.193 1.00 0.00 H ATOM 27 N LYS A 92 7.711 5.342 2.842 1.00 1.27 N ATOM 28 CA LYS A 92 7.253 4.080 2.192 1.00 1.47 C ATOM 29 C LYS A 92 5.740 4.121 1.961 1.00 1.40 C ATOM 30 O LYS A 92 5.275 4.489 0.901 1.00 1.56 O ATOM 31 CB LYS A 92 7.617 2.971 3.179 1.00 1.61 C ATOM 32 CG LYS A 92 8.960 2.356 2.783 1.00 1.94 C ATOM 33 CD LYS A 92 8.769 0.874 2.454 1.00 2.31 C ATOM 34 CE LYS A 92 10.016 0.345 1.743 1.00 2.59 C ATOM 35 NZ LYS A 92 10.784 -0.372 2.799 1.00 3.20 N ATOM 36 HA LYS A 92 7.717 3.926 1.218 1.00 0.00 H ATOM 37 HB2 LYS A 92 7.690 3.388 4.183 1.00 0.00 H ATOM 38 HB3 LYS A 92 6.845 2.201 3.162 1.00 0.00 H ATOM 39 HG2 LYS A 92 9.353 2.874 1.908 1.00 0.00 H ATOM 40 HG3 LYS A 92 9.663 2.457 3.610 1.00 0.00 H ATOM 41 HD2 LYS A 92 8.611 0.314 3.376 1.00 0.00 H ATOM 42 HD3 LYS A 92 7.902 0.754 1.805 1.00 0.00 H ATOM 43 HE2 LYS A 92 10.602 1.168 1.334 1.00 0.00 H ATOM 44 HE3 LYS A 92 9.739 -0.337 0.939 1.00 0.00 H ATOM 45 HZ1 LYS A 92 11.028 0.293 3.561 1.00 0.00 H ATOM 46 HZ2 LYS A 92 10.204 -1.144 3.184 1.00 0.00 H ATOM 47 HZ3 LYS A 92 11.655 -0.764 2.387 1.00 0.00 H ATOM 48 H LYS A 92 7.387 5.580 3.801 1.00 0.00 H ATOM 49 N SER A 93 4.970 3.745 2.945 1.00 1.38 N ATOM 50 CA SER A 93 3.488 3.761 2.778 1.00 1.40 C ATOM 51 C SER A 93 2.885 4.973 3.496 1.00 1.20 C ATOM 52 O SER A 93 3.585 5.762 4.099 1.00 1.08 O ATOM 53 CB SER A 93 3.003 2.463 3.421 1.00 1.60 C ATOM 54 OG SER A 93 1.625 2.278 3.124 1.00 2.20 O ATOM 55 HA SER A 93 3.193 3.834 1.731 1.00 0.00 H ATOM 56 HB2 SER A 93 3.139 2.518 4.501 1.00 0.00 H ATOM 57 HB3 SER A 93 3.577 1.624 3.027 1.00 0.00 H ATOM 58 HG SER A 93 1.106 3.041 3.483 1.00 0.00 H ATOM 59 H SER A 93 5.389 3.435 3.845 1.00 0.00 H ATOM 60 N GLU A 94 1.590 5.123 3.436 1.00 1.26 N ATOM 61 CA GLU A 94 0.938 6.281 4.114 1.00 1.17 C ATOM 62 C GLU A 94 1.492 6.446 5.531 1.00 1.12 C ATOM 63 O GLU A 94 1.533 7.534 6.069 1.00 1.09 O ATOM 64 CB GLU A 94 -0.549 5.928 4.152 1.00 1.33 C ATOM 65 CG GLU A 94 -1.062 5.745 2.722 1.00 1.28 C ATOM 66 CD GLU A 94 -1.321 4.261 2.457 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.265 3.735 3.022 1.00 1.94 O ATOM 68 OE2 GLU A 94 -0.569 3.676 1.694 1.00 2.09 O ATOM 69 HA GLU A 94 1.120 7.222 3.595 1.00 0.00 H ATOM 70 HB2 GLU A 94 -0.690 5.003 4.711 1.00 0.00 H ATOM 71 HB3 GLU A 94 -1.102 6.732 4.638 1.00 0.00 H ATOM 72 HG2 GLU A 94 -1.989 6.304 2.594 1.00 0.00 H ATOM 73 HG3 GLU A 94 -0.316 6.115 2.018 1.00 0.00 H ATOM 74 H GLU A 94 1.011 4.434 2.915 1.00 0.00 H ATOM 75 N GLU A 95 1.923 5.374 6.138 1.00 1.19 N ATOM 76 CA GLU A 95 2.477 5.476 7.519 1.00 1.23 C ATOM 77 C GLU A 95 3.612 6.503 7.555 1.00 1.03 C ATOM 78 O GLU A 95 3.635 7.389 8.386 1.00 1.01 O ATOM 79 CB GLU A 95 3.010 4.078 7.837 1.00 1.45 C ATOM 80 CG GLU A 95 1.869 3.202 8.355 1.00 1.90 C ATOM 81 CD GLU A 95 1.185 2.507 7.177 1.00 2.12 C ATOM 82 OE1 GLU A 95 1.795 2.433 6.123 1.00 2.66 O ATOM 83 OE2 GLU A 95 0.062 2.063 7.347 1.00 2.49 O ATOM 84 HA GLU A 95 1.729 5.801 8.242 1.00 0.00 H ATOM 85 HB2 GLU A 95 3.428 3.634 6.933 1.00 0.00 H ATOM 86 HB3 GLU A 95 3.787 4.150 8.598 1.00 0.00 H ATOM 87 HG2 GLU A 95 2.268 2.452 9.038 1.00 0.00 H ATOM 88 HG3 GLU A 95 1.144 3.823 8.882 1.00 0.00 H ATOM 89 H GLU A 95 1.880 4.451 5.660 1.00 0.00 H ATOM 90 N GLU A 96 4.552 6.390 6.657 1.00 1.02 N ATOM 91 CA GLU A 96 5.686 7.359 6.637 1.00 0.94 C ATOM 92 C GLU A 96 5.410 8.476 5.626 1.00 0.79 C ATOM 93 O GLU A 96 5.860 9.593 5.782 1.00 0.82 O ATOM 94 CB GLU A 96 6.900 6.535 6.209 1.00 1.15 C ATOM 95 CG GLU A 96 8.027 6.717 7.227 1.00 1.62 C ATOM 96 CD GLU A 96 8.989 5.532 7.138 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.521 4.407 7.213 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.178 5.768 6.996 1.00 2.78 O ATOM 99 HA GLU A 96 5.838 7.838 7.604 1.00 0.00 H ATOM 100 HB2 GLU A 96 6.624 5.482 6.157 1.00 0.00 H ATOM 101 HB3 GLU A 96 7.239 6.869 5.228 1.00 0.00 H ATOM 102 HG2 GLU A 96 8.566 7.640 7.012 1.00 0.00 H ATOM 103 HG3 GLU A 96 7.606 6.769 8.231 1.00 0.00 H ATOM 104 H GLU A 96 4.511 5.624 5.955 1.00 0.00 H ATOM 105 N LEU A 97 4.672 8.182 4.590 1.00 0.77 N ATOM 106 CA LEU A 97 4.367 9.227 3.571 1.00 0.71 C ATOM 107 C LEU A 97 3.981 10.537 4.262 1.00 0.67 C ATOM 108 O LEU A 97 4.526 11.586 3.979 1.00 0.75 O ATOM 109 CB LEU A 97 3.180 8.673 2.780 1.00 0.80 C ATOM 110 CG LEU A 97 3.611 8.331 1.351 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.406 9.493 0.754 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.481 7.073 1.370 1.00 1.22 C ATOM 113 HA LEU A 97 5.222 9.442 2.930 1.00 0.00 H ATOM 114 HB2 LEU A 97 2.809 7.773 3.270 1.00 0.00 H ATOM 115 HB3 LEU A 97 2.387 9.421 2.748 1.00 0.00 H ATOM 116 HG LEU A 97 2.725 8.154 0.741 1.00 0.00 H ATOM 117 HD21 LEU A 97 5.364 7.252 1.984 1.00 0.00 H ATOM 118 HD22 LEU A 97 3.909 6.244 1.787 1.00 0.00 H ATOM 119 HD23 LEU A 97 4.788 6.830 0.353 1.00 0.00 H ATOM 120 HD11 LEU A 97 3.783 10.387 0.738 1.00 0.00 H ATOM 121 HD12 LEU A 97 5.291 9.676 1.363 1.00 0.00 H ATOM 122 HD13 LEU A 97 4.708 9.241 -0.262 1.00 0.00 H ATOM 123 H LEU A 97 4.297 7.219 4.475 1.00 0.00 H ATOM 124 N SER A 98 3.042 10.483 5.167 1.00 0.69 N ATOM 125 CA SER A 98 2.617 11.721 5.878 1.00 0.76 C ATOM 126 C SER A 98 3.843 12.499 6.364 1.00 0.72 C ATOM 127 O SER A 98 4.064 13.630 5.978 1.00 0.77 O ATOM 128 CB SER A 98 1.786 11.231 7.062 1.00 0.92 C ATOM 129 OG SER A 98 2.613 10.476 7.938 1.00 1.57 O ATOM 130 HA SER A 98 2.050 12.394 5.235 1.00 0.00 H ATOM 131 HB2 SER A 98 0.971 10.604 6.700 1.00 0.00 H ATOM 132 HB3 SER A 98 1.375 12.087 7.597 1.00 0.00 H ATOM 133 HG SER A 98 2.986 9.699 7.450 1.00 0.00 H ATOM 134 H SER A 98 2.590 9.574 5.392 1.00 0.00 H ATOM 135 N ASP A 99 4.642 11.903 7.207 1.00 0.80 N ATOM 136 CA ASP A 99 5.854 12.612 7.713 1.00 0.86 C ATOM 137 C ASP A 99 6.747 13.028 6.543 1.00 0.81 C ATOM 138 O ASP A 99 7.213 14.149 6.473 1.00 0.91 O ATOM 139 CB ASP A 99 6.571 11.592 8.598 1.00 1.02 C ATOM 140 CG ASP A 99 7.379 12.326 9.670 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.165 13.185 9.307 1.00 1.79 O ATOM 142 OD2 ASP A 99 7.197 12.016 10.837 1.00 1.83 O ATOM 143 HA ASP A 99 5.603 13.520 8.261 1.00 0.00 H ATOM 144 HB2 ASP A 99 5.836 10.945 9.076 1.00 0.00 H ATOM 145 HB3 ASP A 99 7.242 10.988 7.987 1.00 0.00 H ATOM 146 H ASP A 99 4.434 10.935 7.526 1.00 0.00 H ATOM 147 N LEU A 100 6.989 12.136 5.622 1.00 0.75 N ATOM 148 CA LEU A 100 7.850 12.485 4.458 1.00 0.76 C ATOM 149 C LEU A 100 7.232 13.649 3.679 1.00 0.68 C ATOM 150 O LEU A 100 7.922 14.416 3.038 1.00 0.79 O ATOM 151 CB LEU A 100 7.885 11.220 3.600 1.00 0.86 C ATOM 152 CG LEU A 100 8.618 11.510 2.290 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.085 11.101 2.424 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.967 10.713 1.158 1.00 1.41 C ATOM 155 HA LEU A 100 8.850 12.799 4.759 1.00 0.00 H ATOM 156 HB2 LEU A 100 8.405 10.429 4.140 1.00 0.00 H ATOM 157 HB3 LEU A 100 6.866 10.900 3.383 1.00 0.00 H ATOM 158 HG LEU A 100 8.559 12.575 2.067 1.00 0.00 H ATOM 159 HD21 LEU A 100 8.029 9.648 1.383 1.00 0.00 H ATOM 160 HD22 LEU A 100 6.921 11.006 1.064 1.00 0.00 H ATOM 161 HD23 LEU A 100 8.489 10.919 0.223 1.00 0.00 H ATOM 162 HD11 LEU A 100 10.547 11.668 3.232 1.00 0.00 H ATOM 163 HD12 LEU A 100 10.145 10.036 2.646 1.00 0.00 H ATOM 164 HD13 LEU A 100 10.606 11.309 1.489 1.00 0.00 H ATOM 165 H LEU A 100 6.581 11.183 5.701 1.00 0.00 H ATOM 166 N PHE A 101 5.935 13.786 3.732 1.00 0.60 N ATOM 167 CA PHE A 101 5.271 14.901 2.998 1.00 0.59 C ATOM 168 C PHE A 101 5.562 16.235 3.691 1.00 0.60 C ATOM 169 O PHE A 101 6.263 17.078 3.167 1.00 0.72 O ATOM 170 CB PHE A 101 3.777 14.582 3.054 1.00 0.61 C ATOM 171 CG PHE A 101 3.006 15.652 2.319 1.00 0.58 C ATOM 172 CD1 PHE A 101 3.067 15.725 0.922 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.229 16.571 3.034 1.00 0.68 C ATOM 174 CE1 PHE A 101 2.352 16.717 0.241 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.514 17.564 2.353 1.00 0.73 C ATOM 176 CZ PHE A 101 1.576 17.637 0.956 1.00 0.69 C ATOM 177 HA PHE A 101 5.628 14.990 1.972 1.00 0.00 H ATOM 178 HB2 PHE A 101 3.594 13.615 2.585 1.00 0.00 H ATOM 179 HB3 PHE A 101 3.451 14.548 4.094 1.00 0.00 H ATOM 180 HD2 PHE A 101 2.180 16.514 4.121 1.00 0.00 H ATOM 181 HE2 PHE A 101 0.909 18.280 2.910 1.00 0.00 H ATOM 182 HZ PHE A 101 1.020 18.410 0.425 1.00 0.00 H ATOM 183 HE1 PHE A 101 2.399 16.773 -0.847 1.00 0.00 H ATOM 184 HD1 PHE A 101 3.671 15.009 0.365 1.00 0.00 H ATOM 185 H PHE A 101 5.364 13.117 4.287 1.00 0.00 H ATOM 186 N ARG A 102 5.030 16.434 4.867 1.00 0.67 N ATOM 187 CA ARG A 102 5.280 17.715 5.589 1.00 0.76 C ATOM 188 C ARG A 102 6.785 17.986 5.667 1.00 0.68 C ATOM 189 O ARG A 102 7.217 19.108 5.850 1.00 0.78 O ATOM 190 CB ARG A 102 4.691 17.507 6.988 1.00 0.99 C ATOM 191 CG ARG A 102 5.636 16.642 7.827 1.00 1.30 C ATOM 192 CD ARG A 102 4.833 15.881 8.884 1.00 1.45 C ATOM 193 NE ARG A 102 4.089 16.931 9.635 1.00 2.12 N ATOM 194 CZ ARG A 102 4.719 17.708 10.476 1.00 2.71 C ATOM 195 NH1 ARG A 102 6.005 17.573 10.657 1.00 3.07 N ATOM 196 NH2 ARG A 102 4.062 18.623 11.135 1.00 3.37 N ATOM 197 HA ARG A 102 4.829 18.571 5.087 1.00 0.00 H ATOM 198 HB2 ARG A 102 4.560 18.474 7.473 1.00 0.00 H ATOM 199 HB3 ARG A 102 3.725 17.010 6.904 1.00 0.00 H ATOM 200 HG2 ARG A 102 6.149 15.931 7.179 1.00 0.00 H ATOM 201 HG3 ARG A 102 6.371 17.279 8.319 1.00 0.00 H ATOM 202 HD2 ARG A 102 5.499 15.333 9.550 1.00 0.00 H ATOM 203 HD3 ARG A 102 4.140 15.185 8.411 1.00 0.00 H ATOM 204 HE ARG A 102 3.066 17.046 9.490 1.00 0.00 H ATOM 205 HH12 ARG A 102 6.504 18.193 11.327 1.00 0.00 H ATOM 206 HH11 ARG A 102 6.531 16.846 10.131 1.00 0.00 H ATOM 207 HH22 ARG A 102 4.562 19.242 11.804 1.00 0.00 H ATOM 208 HH21 ARG A 102 3.038 18.733 10.991 1.00 0.00 H ATOM 209 H ARG A 102 4.433 15.700 5.299 1.00 0.00 H ATOM 210 N MET A 103 7.587 16.966 5.528 1.00 0.71 N ATOM 211 CA MET A 103 9.063 17.161 5.592 1.00 0.75 C ATOM 212 C MET A 103 9.567 17.810 4.301 1.00 0.68 C ATOM 213 O MET A 103 10.561 18.508 4.293 1.00 0.83 O ATOM 214 CB MET A 103 9.640 15.753 5.745 1.00 0.93 C ATOM 215 CG MET A 103 11.157 15.838 5.923 1.00 1.27 C ATOM 216 SD MET A 103 11.957 14.615 4.855 1.00 1.82 S ATOM 217 CE MET A 103 11.885 13.225 6.011 1.00 2.43 C ATOM 218 HA MET A 103 9.359 17.815 6.412 1.00 0.00 H ATOM 219 HB2 MET A 103 9.198 15.272 6.618 1.00 0.00 H ATOM 220 HB3 MET A 103 9.411 15.168 4.854 1.00 0.00 H ATOM 221 HG2 MET A 103 11.413 15.636 6.963 1.00 0.00 H ATOM 222 HG3 MET A 103 11.500 16.837 5.653 1.00 0.00 H ATOM 223 HE1 MET A 103 12.433 13.480 6.918 1.00 0.00 H ATOM 224 HE2 MET A 103 10.845 13.015 6.260 1.00 0.00 H ATOM 225 HE3 MET A 103 12.334 12.346 5.549 1.00 0.00 H ATOM 226 H MET A 103 7.195 16.015 5.372 1.00 0.00 H ATOM 227 N PHE A 104 8.891 17.583 3.208 1.00 0.68 N ATOM 228 CA PHE A 104 9.335 18.186 1.918 1.00 0.79 C ATOM 229 C PHE A 104 8.850 19.634 1.813 1.00 0.71 C ATOM 230 O PHE A 104 9.556 20.501 1.339 1.00 0.88 O ATOM 231 CB PHE A 104 8.689 17.320 0.836 1.00 0.94 C ATOM 232 CG PHE A 104 9.554 16.110 0.583 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.933 16.263 0.400 1.00 2.03 C ATOM 234 CD2 PHE A 104 8.979 14.835 0.532 1.00 1.26 C ATOM 235 CE1 PHE A 104 11.738 15.142 0.167 1.00 2.65 C ATOM 236 CE2 PHE A 104 9.783 13.713 0.299 1.00 1.86 C ATOM 237 CZ PHE A 104 11.163 13.867 0.116 1.00 2.56 C ATOM 238 HA PHE A 104 10.421 18.212 1.825 1.00 0.00 H ATOM 239 HB2 PHE A 104 7.701 16.999 1.168 1.00 0.00 H ATOM 240 HB3 PHE A 104 8.592 17.897 -0.083 1.00 0.00 H ATOM 241 HD2 PHE A 104 7.905 14.716 0.674 1.00 0.00 H ATOM 242 HE2 PHE A 104 9.335 12.720 0.260 1.00 0.00 H ATOM 243 HZ PHE A 104 11.789 12.994 -0.066 1.00 0.00 H ATOM 244 HE1 PHE A 104 12.812 15.262 0.025 1.00 0.00 H ATOM 245 HD1 PHE A 104 11.381 17.256 0.439 1.00 0.00 H ATOM 246 H PHE A 104 8.043 16.982 3.236 1.00 0.00 H ATOM 247 N ASP A 105 7.651 19.903 2.252 1.00 0.61 N ATOM 248 CA ASP A 105 7.126 21.296 2.175 1.00 0.60 C ATOM 249 C ASP A 105 8.109 22.268 2.832 1.00 0.56 C ATOM 250 O ASP A 105 8.100 22.461 4.031 1.00 0.63 O ATOM 251 CB ASP A 105 5.805 21.265 2.943 1.00 0.68 C ATOM 252 CG ASP A 105 5.123 22.630 2.842 1.00 0.86 C ATOM 253 OD1 ASP A 105 5.327 23.300 1.843 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.408 22.983 3.766 1.00 1.45 O ATOM 255 HA ASP A 105 6.990 21.630 1.147 1.00 0.00 H ATOM 256 HB2 ASP A 105 5.155 20.501 2.517 1.00 0.00 H ATOM 257 HB3 ASP A 105 5.999 21.032 3.990 1.00 0.00 H ATOM 258 H ASP A 105 7.062 19.146 2.655 1.00 0.00 H ATOM 259 N LYS A 106 8.959 22.881 2.053 1.00 0.59 N ATOM 260 CA LYS A 106 9.944 23.841 2.630 1.00 0.66 C ATOM 261 C LYS A 106 9.217 25.043 3.240 1.00 0.55 C ATOM 262 O LYS A 106 9.658 25.617 4.215 1.00 0.63 O ATOM 263 CB LYS A 106 10.806 24.281 1.446 1.00 0.87 C ATOM 264 CG LYS A 106 12.231 24.565 1.927 1.00 1.21 C ATOM 265 CD LYS A 106 13.115 23.346 1.655 1.00 1.61 C ATOM 266 CE LYS A 106 14.567 23.678 2.009 1.00 1.77 C ATOM 267 NZ LYS A 106 15.383 22.685 1.256 1.00 2.14 N ATOM 268 HA LYS A 106 10.540 23.394 3.426 1.00 0.00 H ATOM 269 HB2 LYS A 106 10.826 23.489 0.697 1.00 0.00 H ATOM 270 HB3 LYS A 106 10.384 25.185 1.006 1.00 0.00 H ATOM 271 HG2 LYS A 106 12.629 25.429 1.394 1.00 0.00 H ATOM 272 HG3 LYS A 106 12.219 24.774 2.997 1.00 0.00 H ATOM 273 HD2 LYS A 106 12.775 22.508 2.263 1.00 0.00 H ATOM 274 HD3 LYS A 106 13.050 23.078 0.600 1.00 0.00 H ATOM 275 HE2 LYS A 106 14.733 23.577 3.081 1.00 0.00 H ATOM 276 HE3 LYS A 106 14.815 24.693 1.698 1.00 0.00 H ATOM 277 HZ1 LYS A 106 15.123 21.724 1.558 1.00 0.00 H ATOM 278 HZ2 LYS A 106 15.202 22.790 0.237 1.00 0.00 H ATOM 279 HZ3 LYS A 106 16.392 22.850 1.449 1.00 0.00 H ATOM 280 H LYS A 106 8.949 22.700 1.029 1.00 0.00 H ATOM 281 N ASN A 107 8.106 25.427 2.672 1.00 0.48 N ATOM 282 CA ASN A 107 7.353 26.592 3.220 1.00 0.50 C ATOM 283 C ASN A 107 6.767 26.247 4.592 1.00 0.58 C ATOM 284 O ASN A 107 6.487 27.114 5.395 1.00 0.70 O ATOM 285 CB ASN A 107 6.236 26.851 2.208 1.00 0.54 C ATOM 286 CG ASN A 107 5.384 28.032 2.677 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.806 28.808 3.511 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.193 28.203 2.171 1.00 0.78 N ATOM 289 HA ASN A 107 7.988 27.467 3.359 1.00 0.00 H ATOM 290 HB2 ASN A 107 6.672 27.081 1.236 1.00 0.00 H ATOM 291 HB3 ASN A 107 5.610 25.963 2.123 1.00 0.00 H ATOM 292 HD22 ASN A 107 3.831 27.539 1.457 1.00 0.00 H ATOM 293 HD21 ASN A 107 3.606 29.003 2.482 1.00 0.00 H ATOM 294 H ASN A 107 7.746 24.921 1.838 1.00 0.00 H ATOM 295 N ALA A 108 6.581 24.984 4.866 1.00 0.65 N ATOM 296 CA ALA A 108 6.015 24.580 6.186 1.00 0.84 C ATOM 297 C ALA A 108 4.631 25.202 6.385 1.00 0.78 C ATOM 298 O ALA A 108 4.462 26.137 7.143 1.00 0.96 O ATOM 299 CB ALA A 108 7.000 25.123 7.222 1.00 1.03 C ATOM 300 HA ALA A 108 5.890 23.500 6.267 1.00 0.00 H ATOM 301 HB1 ALA A 108 7.983 24.682 7.053 1.00 0.00 H ATOM 302 HB2 ALA A 108 7.065 26.207 7.126 1.00 0.00 H ATOM 303 HB3 ALA A 108 6.652 24.865 8.222 1.00 0.00 H ATOM 304 H ALA A 108 6.828 24.258 4.163 1.00 0.00 H ATOM 305 N ASP A 109 3.639 24.690 5.710 1.00 0.73 N ATOM 306 CA ASP A 109 2.266 25.251 5.860 1.00 0.74 C ATOM 307 C ASP A 109 1.225 24.129 5.782 1.00 0.78 C ATOM 308 O ASP A 109 0.038 24.375 5.702 1.00 0.96 O ATOM 309 CB ASP A 109 2.104 26.219 4.688 1.00 0.72 C ATOM 310 CG ASP A 109 2.212 25.447 3.373 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.464 24.255 3.429 1.00 1.95 O ATOM 312 OD2 ASP A 109 2.042 26.061 2.332 1.00 1.66 O ATOM 313 HA ASP A 109 2.124 25.748 6.820 1.00 0.00 H ATOM 314 HB2 ASP A 109 1.129 26.702 4.747 1.00 0.00 H ATOM 315 HB3 ASP A 109 2.887 26.976 4.731 1.00 0.00 H ATOM 316 H ASP A 109 3.806 23.890 5.067 1.00 0.00 H ATOM 317 N GLY A 110 1.662 22.899 5.808 1.00 0.76 N ATOM 318 CA GLY A 110 0.699 21.763 5.739 1.00 0.85 C ATOM 319 C GLY A 110 0.522 21.323 4.284 1.00 0.70 C ATOM 320 O GLY A 110 0.204 20.184 4.006 1.00 0.73 O ATOM 321 HA3 GLY A 110 -0.263 22.079 6.142 1.00 0.00 H ATOM 322 HA2 GLY A 110 1.081 20.928 6.326 1.00 0.00 H ATOM 323 H GLY A 110 2.683 22.712 5.877 1.00 0.00 H ATOM 324 N TYR A 111 0.721 22.215 3.352 1.00 0.68 N ATOM 325 CA TYR A 111 0.559 21.841 1.917 1.00 0.60 C ATOM 326 C TYR A 111 1.817 22.206 1.125 1.00 0.58 C ATOM 327 O TYR A 111 2.753 22.774 1.652 1.00 0.83 O ATOM 328 CB TYR A 111 -0.639 22.657 1.432 1.00 0.68 C ATOM 329 CG TYR A 111 -1.861 22.276 2.232 1.00 0.68 C ATOM 330 CD1 TYR A 111 -1.964 22.656 3.576 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.890 21.541 1.632 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.095 22.302 4.319 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.022 21.186 2.376 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.125 21.567 3.720 1.00 0.80 C ATOM 335 OH TYR A 111 -5.241 21.218 4.453 1.00 0.90 O ATOM 336 HA TYR A 111 0.405 20.770 1.784 1.00 0.00 H ATOM 337 HB3 TYR A 111 -0.816 22.451 0.376 1.00 0.00 H ATOM 338 HB2 TYR A 111 -0.434 23.719 1.564 1.00 0.00 H ATOM 339 HD2 TYR A 111 -2.810 21.245 0.586 1.00 0.00 H ATOM 340 HE2 TYR A 111 -4.823 20.613 1.909 1.00 0.00 H ATOM 341 HE1 TYR A 111 -3.174 22.599 5.365 1.00 0.00 H ATOM 342 HD1 TYR A 111 -1.162 23.228 4.043 1.00 0.00 H ATOM 343 HH TYR A 111 -5.150 21.565 5.376 1.00 0.00 H ATOM 344 H TYR A 111 0.992 23.185 3.610 1.00 0.00 H ATOM 345 N ILE A 112 1.847 21.883 -0.139 1.00 0.50 N ATOM 346 CA ILE A 112 3.044 22.209 -0.967 1.00 0.50 C ATOM 347 C ILE A 112 2.621 22.949 -2.239 1.00 0.49 C ATOM 348 O ILE A 112 1.744 22.513 -2.958 1.00 0.66 O ATOM 349 CB ILE A 112 3.667 20.854 -1.313 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.444 20.328 -0.104 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.620 21.012 -2.500 1.00 0.58 C ATOM 352 CD1 ILE A 112 5.183 19.046 -0.492 1.00 0.66 C ATOM 353 HA ILE A 112 3.746 22.857 -0.443 1.00 0.00 H ATOM 354 HB ILE A 112 2.877 20.150 -1.575 1.00 0.00 H ATOM 355 HG12 ILE A 112 5.164 21.079 0.220 1.00 0.00 H ATOM 356 HG13 ILE A 112 3.751 20.116 0.710 1.00 0.00 H ATOM 357 HD11 ILE A 112 4.461 18.296 -0.816 1.00 0.00 H ATOM 358 HD12 ILE A 112 5.876 19.260 -1.306 1.00 0.00 H ATOM 359 HD13 ILE A 112 5.736 18.672 0.370 1.00 0.00 H ATOM 360 HG21 ILE A 112 4.067 21.386 -3.361 1.00 0.00 H ATOM 361 HG22 ILE A 112 5.409 21.717 -2.239 1.00 0.00 H ATOM 362 HG23 ILE A 112 5.060 20.045 -2.742 1.00 0.00 H ATOM 363 H ILE A 112 1.035 21.397 -0.570 1.00 0.00 H ATOM 364 N ASP A 113 3.240 24.062 -2.525 1.00 0.47 N ATOM 365 CA ASP A 113 2.874 24.824 -3.753 1.00 0.50 C ATOM 366 C ASP A 113 3.843 24.488 -4.889 1.00 0.50 C ATOM 367 O ASP A 113 4.804 23.769 -4.705 1.00 0.57 O ATOM 368 CB ASP A 113 2.996 26.297 -3.361 1.00 0.60 C ATOM 369 CG ASP A 113 1.910 26.646 -2.342 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.763 26.758 -2.742 1.00 1.85 O ATOM 371 OD2 ASP A 113 2.244 26.797 -1.178 1.00 1.77 O ATOM 372 HA ASP A 113 1.872 24.581 -4.106 1.00 0.00 H ATOM 373 HB2 ASP A 113 3.977 26.476 -2.922 1.00 0.00 H ATOM 374 HB3 ASP A 113 2.877 26.920 -4.247 1.00 0.00 H ATOM 375 H ASP A 113 3.988 24.417 -1.896 1.00 0.00 H ATOM 376 N LEU A 114 3.595 25.000 -6.063 1.00 0.52 N ATOM 377 CA LEU A 114 4.498 24.708 -7.213 1.00 0.57 C ATOM 378 C LEU A 114 5.881 25.323 -6.980 1.00 0.63 C ATOM 379 O LEU A 114 6.895 24.728 -7.288 1.00 0.80 O ATOM 380 CB LEU A 114 3.819 25.357 -8.419 1.00 0.62 C ATOM 381 CG LEU A 114 2.826 24.372 -9.037 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.400 24.777 -8.659 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.975 24.389 -10.560 1.00 0.81 C ATOM 384 HA LEU A 114 4.652 23.638 -7.354 1.00 0.00 H ATOM 385 HB2 LEU A 114 3.289 26.254 -8.099 1.00 0.00 H ATOM 386 HB3 LEU A 114 4.573 25.626 -9.159 1.00 0.00 H ATOM 387 HG LEU A 114 3.028 23.369 -8.662 1.00 0.00 H ATOM 388 HD21 LEU A 114 2.772 25.393 -10.932 1.00 0.00 H ATOM 389 HD22 LEU A 114 3.991 24.099 -10.828 1.00 0.00 H ATOM 390 HD23 LEU A 114 2.267 23.687 -11.001 1.00 0.00 H ATOM 391 HD11 LEU A 114 1.296 24.765 -7.574 1.00 0.00 H ATOM 392 HD12 LEU A 114 1.197 25.780 -9.034 1.00 0.00 H ATOM 393 HD13 LEU A 114 0.695 24.073 -9.101 1.00 0.00 H ATOM 394 H LEU A 114 2.766 25.613 -6.197 1.00 0.00 H ATOM 395 N ASP A 115 5.932 26.511 -6.442 1.00 0.61 N ATOM 396 CA ASP A 115 7.252 27.162 -6.197 1.00 0.71 C ATOM 397 C ASP A 115 8.110 26.305 -5.260 1.00 0.65 C ATOM 398 O ASP A 115 9.315 26.446 -5.208 1.00 0.89 O ATOM 399 CB ASP A 115 6.917 28.501 -5.539 1.00 0.80 C ATOM 400 CG ASP A 115 8.153 29.403 -5.559 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.250 28.872 -5.504 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.982 30.609 -5.630 1.00 1.76 O ATOM 403 HA ASP A 115 7.822 27.288 -7.117 1.00 0.00 H ATOM 404 HB2 ASP A 115 6.107 28.982 -6.086 1.00 0.00 H ATOM 405 HB3 ASP A 115 6.607 28.332 -4.508 1.00 0.00 H ATOM 406 H ASP A 115 5.053 27.004 -6.184 1.00 0.00 H ATOM 407 N GLU A 116 7.500 25.421 -4.519 1.00 0.51 N ATOM 408 CA GLU A 116 8.288 24.562 -3.587 1.00 0.48 C ATOM 409 C GLU A 116 8.587 23.208 -4.235 1.00 0.49 C ATOM 410 O GLU A 116 9.572 22.565 -3.927 1.00 0.63 O ATOM 411 CB GLU A 116 7.393 24.384 -2.361 1.00 0.48 C ATOM 412 CG GLU A 116 6.898 25.752 -1.891 1.00 0.57 C ATOM 413 CD GLU A 116 5.905 25.570 -0.741 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.867 24.485 -0.184 1.00 1.19 O ATOM 415 OE2 GLU A 116 5.199 26.518 -0.438 1.00 1.36 O ATOM 416 HA GLU A 116 9.249 25.007 -3.330 1.00 0.00 H ATOM 417 HB2 GLU A 116 6.540 23.758 -2.621 1.00 0.00 H ATOM 418 HB3 GLU A 116 7.961 23.908 -1.562 1.00 0.00 H ATOM 419 HG2 GLU A 116 7.745 26.347 -1.549 1.00 0.00 H ATOM 420 HG3 GLU A 116 6.406 26.264 -2.718 1.00 0.00 H ATOM 421 H GLU A 116 6.467 25.315 -4.578 1.00 0.00 H ATOM 422 N LEU A 117 7.747 22.768 -5.131 1.00 0.48 N ATOM 423 CA LEU A 117 7.987 21.454 -5.794 1.00 0.52 C ATOM 424 C LEU A 117 9.360 21.446 -6.473 1.00 0.58 C ATOM 425 O LEU A 117 10.196 20.611 -6.190 1.00 0.69 O ATOM 426 CB LEU A 117 6.874 21.324 -6.834 1.00 0.55 C ATOM 427 CG LEU A 117 5.535 21.117 -6.126 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.400 21.219 -7.145 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.512 19.733 -5.471 1.00 0.53 C ATOM 430 HA LEU A 117 7.979 20.627 -5.084 1.00 0.00 H ATOM 431 HB2 LEU A 117 6.831 22.232 -7.435 1.00 0.00 H ATOM 432 HB3 LEU A 117 7.079 20.471 -7.481 1.00 0.00 H ATOM 433 HG LEU A 117 5.406 21.882 -5.361 1.00 0.00 H ATOM 434 HD21 LEU A 117 5.641 18.968 -6.237 1.00 0.00 H ATOM 435 HD22 LEU A 117 6.322 19.662 -4.745 1.00 0.00 H ATOM 436 HD23 LEU A 117 4.557 19.587 -4.967 1.00 0.00 H ATOM 437 HD11 LEU A 117 4.418 22.205 -7.610 1.00 0.00 H ATOM 438 HD12 LEU A 117 4.530 20.453 -7.910 1.00 0.00 H ATOM 439 HD13 LEU A 117 3.446 21.071 -6.640 1.00 0.00 H ATOM 440 H LEU A 117 6.911 23.333 -5.383 1.00 0.00 H ATOM 441 N LYS A 118 9.598 22.365 -7.368 1.00 0.59 N ATOM 442 CA LYS A 118 10.918 22.402 -8.062 1.00 0.69 C ATOM 443 C LYS A 118 12.057 22.369 -7.039 1.00 0.64 C ATOM 444 O LYS A 118 13.138 21.889 -7.315 1.00 0.73 O ATOM 445 CB LYS A 118 10.926 23.722 -8.834 1.00 0.83 C ATOM 446 CG LYS A 118 10.715 24.884 -7.864 1.00 0.99 C ATOM 447 CD LYS A 118 10.187 26.098 -8.630 1.00 1.35 C ATOM 448 CE LYS A 118 11.051 27.320 -8.310 1.00 1.51 C ATOM 449 NZ LYS A 118 11.833 27.573 -9.552 1.00 1.99 N ATOM 450 HA LYS A 118 11.060 21.545 -8.721 1.00 0.00 H ATOM 451 HB2 LYS A 118 11.884 23.841 -9.340 1.00 0.00 H ATOM 452 HB3 LYS A 118 10.125 23.716 -9.573 1.00 0.00 H ATOM 453 HG2 LYS A 118 9.993 24.594 -7.100 1.00 0.00 H ATOM 454 HG3 LYS A 118 11.663 25.138 -7.389 1.00 0.00 H ATOM 455 HD2 LYS A 118 10.225 25.897 -9.701 1.00 0.00 H ATOM 456 HD3 LYS A 118 9.156 26.294 -8.334 1.00 0.00 H ATOM 457 HE2 LYS A 118 11.717 27.110 -7.473 1.00 0.00 H ATOM 458 HE3 LYS A 118 10.426 28.179 -8.069 1.00 0.00 H ATOM 459 HZ1 LYS A 118 12.413 26.738 -9.771 1.00 0.00 H ATOM 460 HZ2 LYS A 118 11.180 27.759 -10.340 1.00 0.00 H ATOM 461 HZ3 LYS A 118 12.450 28.398 -9.410 1.00 0.00 H ATOM 462 H LYS A 118 8.869 23.070 -7.597 1.00 0.00 H ATOM 463 N ILE A 119 11.822 22.873 -5.858 1.00 0.68 N ATOM 464 CA ILE A 119 12.892 22.866 -4.818 1.00 0.74 C ATOM 465 C ILE A 119 12.814 21.579 -3.992 1.00 0.75 C ATOM 466 O ILE A 119 13.786 21.146 -3.405 1.00 0.85 O ATOM 467 CB ILE A 119 12.602 24.086 -3.943 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.900 25.361 -4.735 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.489 24.045 -2.697 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.429 26.579 -3.937 1.00 1.06 C ATOM 471 HA ILE A 119 13.892 22.906 -5.251 1.00 0.00 H ATOM 472 HB ILE A 119 11.554 24.077 -3.644 1.00 0.00 H ATOM 473 HG12 ILE A 119 13.973 25.436 -4.914 1.00 0.00 H ATOM 474 HG13 ILE A 119 12.376 25.327 -5.690 1.00 0.00 H ATOM 475 HD11 ILE A 119 11.356 26.503 -3.760 1.00 0.00 H ATOM 476 HD12 ILE A 119 12.955 26.612 -2.983 1.00 0.00 H ATOM 477 HD13 ILE A 119 12.642 27.486 -4.502 1.00 0.00 H ATOM 478 HG21 ILE A 119 13.280 23.136 -2.133 1.00 0.00 H ATOM 479 HG22 ILE A 119 14.537 24.055 -2.998 1.00 0.00 H ATOM 480 HG23 ILE A 119 13.280 24.916 -2.075 1.00 0.00 H ATOM 481 H ILE A 119 10.889 23.279 -5.642 1.00 0.00 H ATOM 482 N MET A 120 11.665 20.963 -3.944 1.00 0.85 N ATOM 483 CA MET A 120 11.527 19.702 -3.160 1.00 1.01 C ATOM 484 C MET A 120 12.450 18.626 -3.739 1.00 0.95 C ATOM 485 O MET A 120 13.046 17.851 -3.018 1.00 1.11 O ATOM 486 CB MET A 120 10.059 19.299 -3.315 1.00 1.17 C ATOM 487 CG MET A 120 9.886 17.828 -2.934 1.00 1.52 C ATOM 488 SD MET A 120 8.132 17.388 -3.011 1.00 1.88 S ATOM 489 CE MET A 120 8.293 15.699 -2.380 1.00 1.43 C ATOM 490 HA MET A 120 11.802 19.827 -2.113 1.00 0.00 H ATOM 491 HB2 MET A 120 9.442 19.918 -2.663 1.00 0.00 H ATOM 492 HB3 MET A 120 9.750 19.444 -4.350 1.00 0.00 H ATOM 493 HG2 MET A 120 10.257 17.668 -1.922 1.00 0.00 H ATOM 494 HG3 MET A 120 10.448 17.204 -3.628 1.00 0.00 H ATOM 495 HE1 MET A 120 8.945 15.127 -3.040 1.00 0.00 H ATOM 496 HE2 MET A 120 8.721 15.726 -1.378 1.00 0.00 H ATOM 497 HE3 MET A 120 7.309 15.231 -2.343 1.00 0.00 H ATOM 498 H MET A 120 10.845 21.351 -4.453 1.00 0.00 H ATOM 499 N LEU A 121 12.575 18.578 -5.037 1.00 0.87 N ATOM 500 CA LEU A 121 13.462 17.558 -5.667 1.00 0.95 C ATOM 501 C LEU A 121 14.886 18.108 -5.792 1.00 0.87 C ATOM 502 O LEU A 121 15.816 17.390 -6.099 1.00 0.97 O ATOM 503 CB LEU A 121 12.858 17.312 -7.051 1.00 1.09 C ATOM 504 CG LEU A 121 11.990 16.053 -7.018 1.00 1.41 C ATOM 505 CD1 LEU A 121 12.885 14.815 -6.944 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.076 16.094 -5.791 1.00 1.80 C ATOM 507 HA LEU A 121 13.524 16.641 -5.081 1.00 0.00 H ATOM 508 HB2 LEU A 121 12.246 18.167 -7.337 1.00 0.00 H ATOM 509 HB3 LEU A 121 13.659 17.181 -7.778 1.00 0.00 H ATOM 510 HG LEU A 121 11.383 16.009 -7.923 1.00 0.00 H ATOM 511 HD21 LEU A 121 11.684 16.140 -4.888 1.00 0.00 H ATOM 512 HD22 LEU A 121 10.437 16.975 -5.845 1.00 0.00 H ATOM 513 HD23 LEU A 121 10.458 15.196 -5.769 1.00 0.00 H ATOM 514 HD11 LEU A 121 13.535 14.785 -7.819 1.00 0.00 H ATOM 515 HD12 LEU A 121 13.492 14.861 -6.040 1.00 0.00 H ATOM 516 HD13 LEU A 121 12.264 13.920 -6.921 1.00 0.00 H ATOM 517 H LEU A 121 12.055 19.253 -5.634 1.00 0.00 H ATOM 518 N GLN A 122 15.061 19.380 -5.555 1.00 0.82 N ATOM 519 CA GLN A 122 16.423 19.980 -5.660 1.00 0.95 C ATOM 520 C GLN A 122 17.428 19.156 -4.849 1.00 1.04 C ATOM 521 O GLN A 122 18.492 18.814 -5.326 1.00 1.19 O ATOM 522 CB GLN A 122 16.282 21.385 -5.075 1.00 1.14 C ATOM 523 CG GLN A 122 16.799 22.411 -6.085 1.00 1.42 C ATOM 524 CD GLN A 122 16.938 23.774 -5.404 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.592 23.894 -4.387 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.346 24.813 -5.925 1.00 2.28 N ATOM 527 HA GLN A 122 16.788 20.002 -6.687 1.00 0.00 H ATOM 528 HB2 GLN A 122 15.233 21.585 -4.858 1.00 0.00 H ATOM 529 HB3 GLN A 122 16.862 21.456 -4.155 1.00 0.00 H ATOM 530 HG2 GLN A 122 17.771 22.092 -6.462 1.00 0.00 H ATOM 531 HG3 GLN A 122 16.097 22.489 -6.915 1.00 0.00 H ATOM 532 HE22 GLN A 122 15.786 24.710 -6.795 1.00 0.00 H ATOM 533 HE21 GLN A 122 16.434 25.744 -5.470 1.00 0.00 H ATOM 534 H GLN A 122 14.250 19.976 -5.293 1.00 0.00 H ATOM 535 N ALA A 123 17.098 18.830 -3.629 1.00 1.09 N ATOM 536 CA ALA A 123 18.036 18.025 -2.794 1.00 1.33 C ATOM 537 C ALA A 123 18.507 16.795 -3.575 1.00 1.38 C ATOM 538 O ALA A 123 19.534 16.216 -3.283 1.00 1.62 O ATOM 539 CB ALA A 123 17.218 17.603 -1.573 1.00 1.45 C ATOM 540 HA ALA A 123 18.927 18.586 -2.512 1.00 0.00 H ATOM 541 HB1 ALA A 123 16.871 18.491 -1.045 1.00 0.00 H ATOM 542 HB2 ALA A 123 16.361 17.013 -1.898 1.00 0.00 H ATOM 543 HB3 ALA A 123 17.842 17.005 -0.909 1.00 0.00 H ATOM 544 H ALA A 123 16.182 19.131 -3.239 1.00 0.00 H ATOM 545 N THR A 124 17.759 16.393 -4.566 1.00 1.29 N ATOM 546 CA THR A 124 18.157 15.202 -5.369 1.00 1.47 C ATOM 547 C THR A 124 19.034 15.628 -6.550 1.00 1.44 C ATOM 548 O THR A 124 19.788 14.843 -7.091 1.00 1.72 O ATOM 549 CB THR A 124 16.837 14.611 -5.869 1.00 1.56 C ATOM 550 OG1 THR A 124 15.969 14.397 -4.766 1.00 2.16 O ATOM 551 CG2 THR A 124 17.102 13.282 -6.576 1.00 1.92 C ATOM 552 HA THR A 124 18.736 14.484 -4.788 1.00 0.00 H ATOM 553 HB THR A 124 16.373 15.304 -6.570 1.00 0.00 H ATOM 554 HG1 THR A 124 15.115 14.015 -5.089 1.00 0.00 H ATOM 555 HG23 THR A 124 17.768 13.449 -7.422 1.00 0.00 H ATOM 556 HG21 THR A 124 17.567 12.587 -5.877 1.00 0.00 H ATOM 557 HG22 THR A 124 16.159 12.866 -6.931 1.00 0.00 H ATOM 558 H THR A 124 16.883 16.905 -4.796 1.00 0.00 H ATOM 559 N GLY A 125 18.942 16.866 -6.953 1.00 1.26 N ATOM 560 CA GLY A 125 19.768 17.340 -8.100 1.00 1.32 C ATOM 561 C GLY A 125 18.900 17.415 -9.355 1.00 1.26 C ATOM 562 O GLY A 125 19.351 17.152 -10.452 1.00 1.63 O ATOM 563 HA3 GLY A 125 20.591 16.645 -8.268 1.00 0.00 H ATOM 564 HA2 GLY A 125 20.169 18.328 -7.876 1.00 0.00 H ATOM 565 H GLY A 125 18.292 17.522 -6.474 1.00 0.00 H ATOM 566 N GLU A 126 17.654 17.770 -9.203 1.00 1.02 N ATOM 567 CA GLU A 126 16.755 17.860 -10.388 1.00 1.08 C ATOM 568 C GLU A 126 17.090 19.101 -11.217 1.00 0.89 C ATOM 569 O GLU A 126 16.581 20.177 -10.975 1.00 0.87 O ATOM 570 CB GLU A 126 15.345 17.971 -9.806 1.00 1.34 C ATOM 571 CG GLU A 126 15.240 19.244 -8.962 1.00 1.45 C ATOM 572 CD GLU A 126 14.254 20.213 -9.617 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.343 19.743 -10.279 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.426 21.408 -9.445 1.00 2.16 O ATOM 575 HA GLU A 126 16.859 17.000 -11.050 1.00 0.00 H ATOM 576 HB2 GLU A 126 14.619 18.012 -10.618 1.00 0.00 H ATOM 577 HB3 GLU A 126 15.140 17.102 -9.181 1.00 0.00 H ATOM 578 HG2 GLU A 126 14.889 18.989 -7.962 1.00 0.00 H ATOM 579 HG3 GLU A 126 16.220 19.715 -8.892 1.00 0.00 H ATOM 580 H GLU A 126 17.288 17.990 -8.255 1.00 0.00 H ATOM 581 N THR A 127 17.937 18.961 -12.200 1.00 1.09 N ATOM 582 CA THR A 127 18.292 20.135 -13.046 1.00 1.21 C ATOM 583 C THR A 127 17.520 20.069 -14.365 1.00 1.29 C ATOM 584 O THR A 127 17.944 19.442 -15.315 1.00 1.60 O ATOM 585 CB THR A 127 19.796 20.005 -13.296 1.00 1.57 C ATOM 586 OG1 THR A 127 20.120 18.641 -13.528 1.00 1.91 O ATOM 587 CG2 THR A 127 20.565 20.515 -12.076 1.00 2.18 C ATOM 588 HA THR A 127 18.043 21.084 -12.572 1.00 0.00 H ATOM 589 HB THR A 127 20.072 20.597 -14.168 1.00 0.00 H ATOM 590 HG1 THR A 127 19.623 18.315 -14.320 1.00 0.00 H ATOM 591 HG23 THR A 127 20.314 21.561 -11.901 1.00 0.00 H ATOM 592 HG21 THR A 127 20.291 19.924 -11.202 1.00 0.00 H ATOM 593 HG22 THR A 127 21.636 20.422 -12.258 1.00 0.00 H ATOM 594 H THR A 127 18.363 18.032 -12.392 1.00 0.00 H ATOM 595 N ILE A 128 16.385 20.707 -14.427 1.00 1.08 N ATOM 596 CA ILE A 128 15.581 20.676 -15.680 1.00 1.20 C ATOM 597 C ILE A 128 15.030 22.069 -15.993 1.00 1.18 C ATOM 598 O ILE A 128 15.009 22.943 -15.150 1.00 1.15 O ATOM 599 CB ILE A 128 14.445 19.697 -15.387 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.441 20.354 -14.434 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.017 18.436 -14.738 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.490 19.292 -13.877 1.00 2.03 C ATOM 603 HA ILE A 128 16.170 20.373 -16.546 1.00 0.00 H ATOM 604 HB ILE A 128 13.942 19.431 -16.317 1.00 0.00 H ATOM 605 HG12 ILE A 128 13.977 20.828 -13.612 1.00 0.00 H ATOM 606 HG13 ILE A 128 12.867 21.107 -14.974 1.00 0.00 H ATOM 607 HD11 ILE A 128 11.953 18.819 -14.700 1.00 0.00 H ATOM 608 HD12 ILE A 128 13.064 18.540 -13.336 1.00 0.00 H ATOM 609 HD13 ILE A 128 11.778 19.763 -13.200 1.00 0.00 H ATOM 610 HG21 ILE A 128 15.733 17.972 -15.417 1.00 0.00 H ATOM 611 HG22 ILE A 128 15.518 18.703 -13.807 1.00 0.00 H ATOM 612 HG23 ILE A 128 14.207 17.737 -14.529 1.00 0.00 H ATOM 613 H ILE A 128 16.041 21.238 -13.601 1.00 0.00 H ATOM 614 N THR A 129 14.578 22.282 -17.199 1.00 1.34 N ATOM 615 CA THR A 129 14.025 23.618 -17.559 1.00 1.42 C ATOM 616 C THR A 129 12.776 23.912 -16.723 1.00 1.16 C ATOM 617 O THR A 129 12.317 23.082 -15.963 1.00 0.97 O ATOM 618 CB THR A 129 13.665 23.513 -19.042 1.00 1.64 C ATOM 619 OG1 THR A 129 12.703 22.484 -19.221 1.00 2.23 O ATOM 620 CG2 THR A 129 14.921 23.189 -19.852 1.00 2.28 C ATOM 621 HA THR A 129 14.734 24.424 -17.369 1.00 0.00 H ATOM 622 HB THR A 129 13.251 24.461 -19.385 1.00 0.00 H ATOM 623 HG1 THR A 129 12.469 22.415 -20.181 1.00 0.00 H ATOM 624 HG23 THR A 129 15.657 23.981 -19.712 1.00 0.00 H ATOM 625 HG21 THR A 129 15.337 22.241 -19.511 1.00 0.00 H ATOM 626 HG22 THR A 129 14.662 23.115 -20.908 1.00 0.00 H ATOM 627 H THR A 129 14.604 21.521 -17.907 1.00 0.00 H ATOM 628 N GLU A 130 12.223 25.086 -16.856 1.00 1.31 N ATOM 629 CA GLU A 130 11.005 25.429 -16.068 1.00 1.28 C ATOM 630 C GLU A 130 9.765 24.806 -16.717 1.00 1.16 C ATOM 631 O GLU A 130 8.745 24.627 -16.082 1.00 1.21 O ATOM 632 CB GLU A 130 10.922 26.955 -16.109 1.00 1.69 C ATOM 633 CG GLU A 130 9.526 27.404 -15.673 1.00 2.05 C ATOM 634 CD GLU A 130 9.418 28.926 -15.784 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.824 29.455 -16.806 1.00 2.70 O ATOM 636 OE2 GLU A 130 8.933 29.536 -14.846 1.00 3.03 O ATOM 637 HA GLU A 130 11.054 25.052 -15.046 1.00 0.00 H ATOM 638 HB2 GLU A 130 11.667 27.378 -15.434 1.00 0.00 H ATOM 639 HB3 GLU A 130 11.115 27.302 -17.124 1.00 0.00 H ATOM 640 HG2 GLU A 130 8.778 26.939 -16.315 1.00 0.00 H ATOM 641 HG3 GLU A 130 9.354 27.102 -14.640 1.00 0.00 H ATOM 642 H GLU A 130 12.632 25.782 -17.512 1.00 0.00 H ATOM 643 N ASP A 131 9.845 24.476 -17.977 1.00 1.18 N ATOM 644 CA ASP A 131 8.670 23.867 -18.664 1.00 1.19 C ATOM 645 C ASP A 131 8.518 22.400 -18.252 1.00 1.07 C ATOM 646 O ASP A 131 7.521 21.766 -18.535 1.00 1.14 O ATOM 647 CB ASP A 131 8.982 23.975 -20.158 1.00 1.44 C ATOM 648 CG ASP A 131 7.751 23.564 -20.968 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.729 23.292 -20.359 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.851 23.528 -22.183 1.00 2.07 O ATOM 651 HA ASP A 131 7.737 24.368 -18.406 1.00 0.00 H ATOM 652 HB2 ASP A 131 9.250 25.004 -20.400 1.00 0.00 H ATOM 653 HB3 ASP A 131 9.815 23.317 -20.404 1.00 0.00 H ATOM 654 H ASP A 131 10.728 24.638 -18.502 1.00 0.00 H ATOM 655 N ASP A 132 9.499 21.856 -17.585 1.00 1.00 N ATOM 656 CA ASP A 132 9.409 20.430 -17.156 1.00 1.03 C ATOM 657 C ASP A 132 8.841 20.342 -15.737 1.00 0.88 C ATOM 658 O ASP A 132 8.278 19.339 -15.345 1.00 1.03 O ATOM 659 CB ASP A 132 10.847 19.914 -17.193 1.00 1.13 C ATOM 660 CG ASP A 132 11.009 18.939 -18.361 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.010 18.381 -18.784 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.129 18.767 -18.812 1.00 1.79 O ATOM 663 HA ASP A 132 8.751 19.845 -17.798 1.00 0.00 H ATOM 664 HB2 ASP A 132 11.531 20.753 -17.322 1.00 0.00 H ATOM 665 HB3 ASP A 132 11.074 19.402 -16.258 1.00 0.00 H ATOM 666 H ASP A 132 10.344 22.417 -17.353 1.00 0.00 H ATOM 667 N ILE A 133 8.984 21.384 -14.964 1.00 0.75 N ATOM 668 CA ILE A 133 8.449 21.357 -13.572 1.00 0.77 C ATOM 669 C ILE A 133 6.961 20.999 -13.588 1.00 0.70 C ATOM 670 O ILE A 133 6.541 20.024 -12.996 1.00 0.82 O ATOM 671 CB ILE A 133 8.656 22.775 -13.040 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.155 23.070 -12.943 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.022 22.900 -11.654 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.789 22.153 -11.894 1.00 1.00 C ATOM 675 HA ILE A 133 8.948 20.614 -12.950 1.00 0.00 H ATOM 676 HB ILE A 133 8.188 23.488 -13.719 1.00 0.00 H ATOM 677 HG12 ILE A 133 10.624 22.894 -13.911 1.00 0.00 H ATOM 678 HG13 ILE A 133 10.303 24.110 -12.653 1.00 0.00 H ATOM 679 HD11 ILE A 133 10.320 22.331 -10.926 1.00 0.00 H ATOM 680 HD12 ILE A 133 10.641 21.113 -12.185 1.00 0.00 H ATOM 681 HD13 ILE A 133 11.856 22.364 -11.826 1.00 0.00 H ATOM 682 HG21 ILE A 133 6.955 22.691 -11.724 1.00 0.00 H ATOM 683 HG22 ILE A 133 8.490 22.186 -10.976 1.00 0.00 H ATOM 684 HG23 ILE A 133 8.171 23.912 -11.278 1.00 0.00 H ATOM 685 H ILE A 133 9.470 22.232 -15.318 1.00 0.00 H ATOM 686 N GLU A 134 6.159 21.776 -14.265 1.00 0.61 N ATOM 687 CA GLU A 134 4.700 21.474 -14.319 1.00 0.64 C ATOM 688 C GLU A 134 4.486 20.003 -14.686 1.00 0.64 C ATOM 689 O GLU A 134 3.459 19.422 -14.397 1.00 0.76 O ATOM 690 CB GLU A 134 4.146 22.386 -15.415 1.00 0.73 C ATOM 691 CG GLU A 134 3.808 23.754 -14.819 1.00 0.89 C ATOM 692 CD GLU A 134 2.512 24.277 -15.443 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.543 24.644 -16.606 1.00 1.86 O ATOM 694 OE2 GLU A 134 1.510 24.302 -14.746 1.00 1.87 O ATOM 695 HA GLU A 134 4.205 21.642 -13.363 1.00 0.00 H ATOM 696 HB2 GLU A 134 4.893 22.506 -16.200 1.00 0.00 H ATOM 697 HB3 GLU A 134 3.245 21.941 -15.837 1.00 0.00 H ATOM 698 HG2 GLU A 134 3.680 23.659 -13.741 1.00 0.00 H ATOM 699 HG3 GLU A 134 4.619 24.452 -15.027 1.00 0.00 H ATOM 700 H GLU A 134 6.538 22.605 -14.766 1.00 0.00 H ATOM 701 N GLU A 135 5.452 19.398 -15.321 1.00 0.59 N ATOM 702 CA GLU A 135 5.313 17.965 -15.710 1.00 0.67 C ATOM 703 C GLU A 135 5.191 17.086 -14.462 1.00 0.74 C ATOM 704 O GLU A 135 4.685 15.983 -14.515 1.00 0.91 O ATOM 705 CB GLU A 135 6.598 17.639 -16.471 1.00 0.72 C ATOM 706 CG GLU A 135 6.365 16.428 -17.376 1.00 1.16 C ATOM 707 CD GLU A 135 6.239 15.167 -16.519 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.777 15.163 -15.423 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.607 14.228 -16.973 1.00 2.03 O ATOM 710 HA GLU A 135 4.423 17.784 -16.312 1.00 0.00 H ATOM 711 HB2 GLU A 135 6.887 18.496 -17.079 1.00 0.00 H ATOM 712 HB3 GLU A 135 7.393 17.414 -15.761 1.00 0.00 H ATOM 713 HG2 GLU A 135 5.448 16.572 -17.948 1.00 0.00 H ATOM 714 HG3 GLU A 135 7.206 16.319 -18.061 1.00 0.00 H ATOM 715 H GLU A 135 6.322 19.917 -15.557 1.00 0.00 H ATOM 716 N LEU A 136 5.654 17.565 -13.340 1.00 0.73 N ATOM 717 CA LEU A 136 5.568 16.756 -12.090 1.00 0.87 C ATOM 718 C LEU A 136 4.290 17.101 -11.321 1.00 0.81 C ATOM 719 O LEU A 136 3.671 16.252 -10.711 1.00 1.00 O ATOM 720 CB LEU A 136 6.801 17.153 -11.278 1.00 0.99 C ATOM 721 CG LEU A 136 8.005 16.333 -11.739 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.171 17.271 -12.058 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.418 15.367 -10.625 1.00 1.75 C ATOM 724 HA LEU A 136 5.537 15.686 -12.293 1.00 0.00 H ATOM 725 HB2 LEU A 136 7.006 18.213 -11.425 1.00 0.00 H ATOM 726 HB3 LEU A 136 6.616 16.963 -10.221 1.00 0.00 H ATOM 727 HG LEU A 136 7.740 15.768 -12.633 1.00 0.00 H ATOM 728 HD21 LEU A 136 8.683 15.935 -9.733 1.00 0.00 H ATOM 729 HD22 LEU A 136 7.587 14.699 -10.398 1.00 0.00 H ATOM 730 HD23 LEU A 136 9.277 14.782 -10.953 1.00 0.00 H ATOM 731 HD11 LEU A 136 8.876 17.960 -12.850 1.00 0.00 H ATOM 732 HD12 LEU A 136 9.437 17.835 -11.164 1.00 0.00 H ATOM 733 HD13 LEU A 136 10.029 16.684 -12.387 1.00 0.00 H ATOM 734 H LEU A 136 6.083 18.512 -13.317 1.00 0.00 H ATOM 735 N MET A 137 3.895 18.344 -11.342 1.00 0.67 N ATOM 736 CA MET A 137 2.661 18.751 -10.608 1.00 0.71 C ATOM 737 C MET A 137 1.433 18.041 -11.186 1.00 0.68 C ATOM 738 O MET A 137 0.595 17.544 -10.461 1.00 0.70 O ATOM 739 CB MET A 137 2.558 20.261 -10.824 1.00 0.82 C ATOM 740 CG MET A 137 1.377 20.813 -10.023 1.00 0.99 C ATOM 741 SD MET A 137 1.700 20.610 -8.253 1.00 0.94 S ATOM 742 CE MET A 137 0.529 21.857 -7.663 1.00 0.53 C ATOM 743 HA MET A 137 2.705 18.488 -9.551 1.00 0.00 H ATOM 744 HB2 MET A 137 3.479 20.739 -10.490 1.00 0.00 H ATOM 745 HB3 MET A 137 2.406 20.467 -11.884 1.00 0.00 H ATOM 746 HG2 MET A 137 0.470 20.271 -10.292 1.00 0.00 H ATOM 747 HG3 MET A 137 1.247 21.871 -10.250 1.00 0.00 H ATOM 748 HE1 MET A 137 0.797 22.830 -8.075 1.00 0.00 H ATOM 749 HE2 MET A 137 -0.477 21.590 -7.985 1.00 0.00 H ATOM 750 HE3 MET A 137 0.564 21.900 -6.574 1.00 0.00 H ATOM 751 H MET A 137 4.441 19.053 -11.871 1.00 0.00 H ATOM 752 N LYS A 138 1.317 17.993 -12.484 1.00 0.76 N ATOM 753 CA LYS A 138 0.139 17.318 -13.101 1.00 0.82 C ATOM 754 C LYS A 138 -0.141 15.987 -12.399 1.00 0.72 C ATOM 755 O LYS A 138 -1.274 15.571 -12.267 1.00 0.84 O ATOM 756 CB LYS A 138 0.534 17.084 -14.560 1.00 0.99 C ATOM 757 CG LYS A 138 1.884 16.366 -14.618 1.00 1.57 C ATOM 758 CD LYS A 138 1.662 14.883 -14.918 1.00 2.09 C ATOM 759 CE LYS A 138 1.471 14.688 -16.424 1.00 2.74 C ATOM 760 NZ LYS A 138 1.270 13.223 -16.600 1.00 3.43 N ATOM 761 HA LYS A 138 -0.768 17.916 -13.016 1.00 0.00 H ATOM 762 HB2 LYS A 138 -0.224 16.471 -15.048 1.00 0.00 H ATOM 763 HB3 LYS A 138 0.610 18.042 -15.074 1.00 0.00 H ATOM 764 HG2 LYS A 138 2.497 16.808 -15.404 1.00 0.00 H ATOM 765 HG3 LYS A 138 2.393 16.471 -13.660 1.00 0.00 H ATOM 766 HD2 LYS A 138 2.528 14.311 -14.585 1.00 0.00 H ATOM 767 HD3 LYS A 138 0.774 14.535 -14.391 1.00 0.00 H ATOM 768 HE2 LYS A 138 2.354 15.022 -16.969 1.00 0.00 H ATOM 769 HE3 LYS A 138 0.599 15.240 -16.775 1.00 0.00 H ATOM 770 HZ1 LYS A 138 2.107 12.715 -16.250 1.00 0.00 H ATOM 771 HZ2 LYS A 138 0.431 12.923 -16.064 1.00 0.00 H ATOM 772 HZ3 LYS A 138 1.132 13.012 -17.609 1.00 0.00 H ATOM 773 H LYS A 138 2.045 18.425 -13.088 1.00 0.00 H ATOM 774 N ASP A 139 0.882 15.313 -11.948 1.00 0.75 N ATOM 775 CA ASP A 139 0.667 14.007 -11.258 1.00 0.78 C ATOM 776 C ASP A 139 0.377 14.230 -9.771 1.00 0.70 C ATOM 777 O ASP A 139 -0.394 13.512 -9.166 1.00 0.81 O ATOM 778 CB ASP A 139 1.979 13.243 -11.439 1.00 0.97 C ATOM 779 CG ASP A 139 1.771 12.104 -12.438 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.654 12.391 -13.618 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.731 10.964 -12.006 1.00 1.69 O ATOM 782 HA ASP A 139 -0.184 13.462 -11.667 1.00 0.00 H ATOM 783 HB2 ASP A 139 2.746 13.921 -11.814 1.00 0.00 H ATOM 784 HB3 ASP A 139 2.296 12.833 -10.480 1.00 0.00 H ATOM 785 H ASP A 139 1.845 15.685 -12.069 1.00 0.00 H ATOM 786 N GLY A 140 0.987 15.218 -9.178 1.00 0.64 N ATOM 787 CA GLY A 140 0.744 15.481 -7.731 1.00 0.62 C ATOM 788 C GLY A 140 -0.624 16.142 -7.553 1.00 0.57 C ATOM 789 O GLY A 140 -1.254 16.016 -6.522 1.00 0.65 O ATOM 790 HA3 GLY A 140 1.520 16.143 -7.347 1.00 0.00 H ATOM 791 HA2 GLY A 140 0.767 14.540 -7.182 1.00 0.00 H ATOM 792 H GLY A 140 1.642 15.822 -9.714 1.00 0.00 H ATOM 793 N ASP A 141 -1.089 16.846 -8.549 1.00 0.56 N ATOM 794 CA ASP A 141 -2.417 17.515 -8.431 1.00 0.56 C ATOM 795 C ASP A 141 -3.155 17.475 -9.772 1.00 0.58 C ATOM 796 O ASP A 141 -3.283 18.475 -10.450 1.00 0.64 O ATOM 797 CB ASP A 141 -2.100 18.958 -8.039 1.00 0.60 C ATOM 798 CG ASP A 141 -2.226 19.117 -6.523 1.00 0.75 C ATOM 799 OD1 ASP A 141 -2.275 18.105 -5.843 1.00 1.23 O ATOM 800 OD2 ASP A 141 -2.272 20.248 -6.068 1.00 1.14 O ATOM 801 HA ASP A 141 -3.061 17.024 -7.701 1.00 0.00 H ATOM 802 HB2 ASP A 141 -1.083 19.203 -8.347 1.00 0.00 H ATOM 803 HB3 ASP A 141 -2.800 19.631 -8.534 1.00 0.00 H ATOM 804 H ASP A 141 -0.534 16.940 -9.424 1.00 0.00 H ATOM 805 N LYS A 142 -3.645 16.329 -10.159 1.00 0.62 N ATOM 806 CA LYS A 142 -4.376 16.234 -11.455 1.00 0.70 C ATOM 807 C LYS A 142 -5.589 17.167 -11.440 1.00 0.79 C ATOM 808 O LYS A 142 -6.127 17.520 -12.470 1.00 0.92 O ATOM 809 CB LYS A 142 -4.821 14.774 -11.555 1.00 0.79 C ATOM 810 CG LYS A 142 -3.930 14.036 -12.556 1.00 0.88 C ATOM 811 CD LYS A 142 -4.727 13.728 -13.825 1.00 1.37 C ATOM 812 CE LYS A 142 -4.370 12.326 -14.324 1.00 1.79 C ATOM 813 NZ LYS A 142 -4.390 12.428 -15.810 1.00 2.44 N ATOM 814 HA LYS A 142 -3.757 16.527 -12.303 1.00 0.00 H ATOM 815 HB2 LYS A 142 -4.738 14.301 -10.577 1.00 0.00 H ATOM 816 HB3 LYS A 142 -5.857 14.732 -11.891 1.00 0.00 H ATOM 817 HG2 LYS A 142 -3.073 14.661 -12.808 1.00 0.00 H ATOM 818 HG3 LYS A 142 -3.580 13.104 -12.112 1.00 0.00 H ATOM 819 HD2 LYS A 142 -5.794 13.775 -13.605 1.00 0.00 H ATOM 820 HD3 LYS A 142 -4.483 14.461 -14.594 1.00 0.00 H ATOM 821 HE2 LYS A 142 -5.105 11.598 -13.980 1.00 0.00 H ATOM 822 HE3 LYS A 142 -3.380 12.035 -13.973 1.00 0.00 H ATOM 823 HZ1 LYS A 142 -5.338 12.717 -16.124 1.00 0.00 H ATOM 824 HZ2 LYS A 142 -3.691 13.134 -16.117 1.00 0.00 H ATOM 825 HZ3 LYS A 142 -4.154 11.503 -16.223 1.00 0.00 H ATOM 826 H LYS A 142 -3.526 15.484 -9.565 1.00 0.00 H ATOM 827 N ASN A 143 -6.022 17.569 -10.276 1.00 0.80 N ATOM 828 CA ASN A 143 -7.200 18.481 -10.190 1.00 0.95 C ATOM 829 C ASN A 143 -6.750 19.928 -10.403 1.00 0.92 C ATOM 830 O ASN A 143 -7.550 20.810 -10.645 1.00 1.08 O ATOM 831 CB ASN A 143 -7.762 18.306 -8.773 1.00 1.07 C ATOM 832 CG ASN A 143 -7.595 16.855 -8.310 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.092 15.942 -8.938 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.907 16.606 -7.229 1.00 1.70 N ATOM 835 HA ASN A 143 -7.948 18.251 -10.948 1.00 0.00 H ATOM 836 HB2 ASN A 143 -7.227 18.966 -8.090 1.00 0.00 H ATOM 837 HB3 ASN A 143 -8.821 18.565 -8.771 1.00 0.00 H ATOM 838 HD22 ASN A 143 -6.482 17.388 -6.692 1.00 0.00 H ATOM 839 HD21 ASN A 143 -6.784 15.625 -6.905 1.00 0.00 H ATOM 840 H ASN A 143 -5.545 17.253 -9.407 1.00 0.00 H ATOM 841 N ASN A 144 -5.472 20.178 -10.310 1.00 0.86 N ATOM 842 CA ASN A 144 -4.968 21.567 -10.502 1.00 0.93 C ATOM 843 C ASN A 144 -5.790 22.541 -9.655 1.00 1.03 C ATOM 844 O ASN A 144 -6.368 23.484 -10.157 1.00 1.71 O ATOM 845 CB ASN A 144 -5.152 21.853 -11.992 1.00 1.08 C ATOM 846 CG ASN A 144 -4.223 20.944 -12.801 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.260 20.420 -12.276 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.471 20.734 -14.065 1.00 1.97 N ATOM 849 HA ASN A 144 -3.928 21.680 -10.196 1.00 0.00 H ATOM 850 HB2 ASN A 144 -6.187 21.661 -12.275 1.00 0.00 H ATOM 851 HB3 ASN A 144 -4.909 22.896 -12.195 1.00 0.00 H ATOM 852 HD22 ASN A 144 -5.295 21.182 -14.515 1.00 0.00 H ATOM 853 HD21 ASN A 144 -3.845 20.119 -14.623 1.00 0.00 H ATOM 854 H ASN A 144 -4.805 19.407 -10.102 1.00 0.00 H ATOM 855 N ASP A 145 -5.844 22.316 -8.370 1.00 0.88 N ATOM 856 CA ASP A 145 -6.628 23.223 -7.483 1.00 0.92 C ATOM 857 C ASP A 145 -5.746 24.374 -6.993 1.00 0.91 C ATOM 858 O ASP A 145 -6.229 25.354 -6.461 1.00 1.07 O ATOM 859 CB ASP A 145 -7.066 22.345 -6.310 1.00 0.93 C ATOM 860 CG ASP A 145 -7.594 21.010 -6.838 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.033 20.977 -7.976 1.00 1.89 O ATOM 862 OD2 ASP A 145 -7.549 20.042 -6.096 1.00 2.06 O ATOM 863 HA ASP A 145 -7.478 23.672 -7.996 1.00 0.00 H ATOM 864 HB2 ASP A 145 -6.215 22.165 -5.654 1.00 0.00 H ATOM 865 HB3 ASP A 145 -7.853 22.851 -5.751 1.00 0.00 H ATOM 866 H ASP A 145 -5.339 21.502 -7.964 1.00 0.00 H ATOM 867 N GLY A 146 -4.457 24.265 -7.169 1.00 0.84 N ATOM 868 CA GLY A 146 -3.549 25.354 -6.713 1.00 0.92 C ATOM 869 C GLY A 146 -2.801 24.909 -5.455 1.00 0.66 C ATOM 870 O GLY A 146 -1.949 25.612 -4.949 1.00 0.74 O ATOM 871 HA3 GLY A 146 -4.135 26.245 -6.490 1.00 0.00 H ATOM 872 HA2 GLY A 146 -2.831 25.581 -7.501 1.00 0.00 H ATOM 873 H GLY A 146 -4.064 23.418 -7.627 1.00 0.00 H ATOM 874 N ARG A 147 -3.109 23.749 -4.945 1.00 0.56 N ATOM 875 CA ARG A 147 -2.408 23.271 -3.719 1.00 0.54 C ATOM 876 C ARG A 147 -2.353 21.741 -3.692 1.00 0.46 C ATOM 877 O ARG A 147 -3.268 21.066 -4.122 1.00 0.45 O ATOM 878 CB ARG A 147 -3.242 23.800 -2.553 1.00 0.77 C ATOM 879 CG ARG A 147 -2.400 24.775 -1.729 1.00 1.39 C ATOM 880 CD ARG A 147 -3.321 25.694 -0.923 1.00 1.79 C ATOM 881 NE ARG A 147 -2.408 26.665 -0.258 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.895 27.600 0.514 1.00 2.87 C ATOM 883 NH1 ARG A 147 -4.184 27.688 0.706 1.00 3.10 N ATOM 884 NH2 ARG A 147 -2.091 28.448 1.095 1.00 3.37 N ATOM 885 HA ARG A 147 -1.377 23.621 -3.675 1.00 0.00 H ATOM 886 HB2 ARG A 147 -4.122 24.315 -2.939 1.00 0.00 H ATOM 887 HB3 ARG A 147 -3.556 22.968 -1.923 1.00 0.00 H ATOM 888 HG2 ARG A 147 -1.759 24.215 -1.048 1.00 0.00 H ATOM 889 HG3 ARG A 147 -1.782 25.375 -2.397 1.00 0.00 H ATOM 890 HD2 ARG A 147 -3.880 25.123 -0.182 1.00 0.00 H ATOM 891 HD3 ARG A 147 -4.018 26.212 -1.582 1.00 0.00 H ATOM 892 HE ARG A 147 -1.381 26.599 -0.408 1.00 0.00 H ATOM 893 HH12 ARG A 147 -4.568 28.433 1.321 1.00 0.00 H ATOM 894 HH11 ARG A 147 -4.826 27.013 0.244 1.00 0.00 H ATOM 895 HH22 ARG A 147 -2.477 29.193 1.710 1.00 0.00 H ATOM 896 HH21 ARG A 147 -1.064 28.379 0.943 1.00 0.00 H ATOM 897 H ARG A 147 -3.840 23.160 -5.392 1.00 0.00 H ATOM 898 N ILE A 148 -1.281 21.191 -3.188 1.00 0.49 N ATOM 899 CA ILE A 148 -1.156 19.707 -3.127 1.00 0.44 C ATOM 900 C ILE A 148 -1.385 19.220 -1.693 1.00 0.46 C ATOM 901 O ILE A 148 -0.677 19.596 -0.780 1.00 0.63 O ATOM 902 CB ILE A 148 0.279 19.417 -3.571 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.602 20.238 -4.823 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.428 17.929 -3.887 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.956 19.801 -5.385 1.00 0.63 C ATOM 906 HA ILE A 148 -1.888 19.200 -3.756 1.00 0.00 H ATOM 907 HB ILE A 148 0.966 19.688 -2.770 1.00 0.00 H ATOM 908 HG12 ILE A 148 -0.172 20.077 -5.573 1.00 0.00 H ATOM 909 HG13 ILE A 148 0.640 21.296 -4.564 1.00 0.00 H ATOM 910 HD11 ILE A 148 2.729 19.963 -4.634 1.00 0.00 H ATOM 911 HD12 ILE A 148 1.916 18.743 -5.644 1.00 0.00 H ATOM 912 HD13 ILE A 148 2.184 20.386 -6.276 1.00 0.00 H ATOM 913 HG21 ILE A 148 0.199 17.345 -2.996 1.00 0.00 H ATOM 914 HG22 ILE A 148 -0.261 17.658 -4.687 1.00 0.00 H ATOM 915 HG23 ILE A 148 1.451 17.727 -4.203 1.00 0.00 H ATOM 916 H ILE A 148 -0.512 21.791 -2.828 1.00 0.00 H ATOM 917 N ASP A 149 -2.371 18.390 -1.485 1.00 0.48 N ATOM 918 CA ASP A 149 -2.643 17.887 -0.107 1.00 0.53 C ATOM 919 C ASP A 149 -2.192 16.429 0.029 1.00 0.53 C ATOM 920 O ASP A 149 -2.082 15.709 -0.943 1.00 0.63 O ATOM 921 CB ASP A 149 -4.158 17.997 0.065 1.00 0.58 C ATOM 922 CG ASP A 149 -4.579 17.286 1.352 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.564 17.926 2.391 1.00 1.84 O ATOM 924 OD2 ASP A 149 -4.908 16.114 1.278 1.00 1.65 O ATOM 925 HA ASP A 149 -2.104 18.456 0.650 1.00 0.00 H ATOM 926 HB2 ASP A 149 -4.442 19.048 0.121 1.00 0.00 H ATOM 927 HB3 ASP A 149 -4.655 17.532 -0.786 1.00 0.00 H ATOM 928 H ASP A 149 -2.966 18.080 -2.279 1.00 0.00 H ATOM 929 N TYR A 150 -1.932 15.991 1.230 1.00 0.58 N ATOM 930 CA TYR A 150 -1.489 14.581 1.433 1.00 0.60 C ATOM 931 C TYR A 150 -2.349 13.629 0.598 1.00 0.59 C ATOM 932 O TYR A 150 -1.847 12.744 -0.066 1.00 0.63 O ATOM 933 CB TYR A 150 -1.689 14.316 2.925 1.00 0.73 C ATOM 934 CG TYR A 150 -1.386 12.868 3.229 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.473 12.162 2.435 1.00 1.15 C ATOM 936 CD2 TYR A 150 -2.016 12.232 4.305 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.192 10.820 2.718 1.00 1.43 C ATOM 938 CE2 TYR A 150 -1.734 10.891 4.588 1.00 1.56 C ATOM 939 CZ TYR A 150 -0.822 10.185 3.794 1.00 1.48 C ATOM 940 OH TYR A 150 -0.545 8.862 4.073 1.00 1.96 O ATOM 941 HA TYR A 150 -0.455 14.424 1.125 1.00 0.00 H ATOM 942 HB3 TYR A 150 -2.721 14.536 3.197 1.00 0.00 H ATOM 943 HB2 TYR A 150 -1.019 14.955 3.500 1.00 0.00 H ATOM 944 HD2 TYR A 150 -2.726 12.781 4.923 1.00 0.00 H ATOM 945 HE2 TYR A 150 -2.224 10.396 5.426 1.00 0.00 H ATOM 946 HE1 TYR A 150 0.518 10.270 2.100 1.00 0.00 H ATOM 947 HD1 TYR A 150 0.018 12.657 1.597 1.00 0.00 H ATOM 948 HH TYR A 150 -0.173 8.790 4.988 1.00 0.00 H ATOM 949 H TYR A 150 -2.034 16.626 2.047 1.00 0.00 H ATOM 950 N ASP A 151 -3.642 13.803 0.626 1.00 0.64 N ATOM 951 CA ASP A 151 -4.531 12.906 -0.167 1.00 0.70 C ATOM 952 C ASP A 151 -4.037 12.815 -1.612 1.00 0.63 C ATOM 953 O ASP A 151 -4.059 11.764 -2.221 1.00 0.77 O ATOM 954 CB ASP A 151 -5.910 13.565 -0.113 1.00 0.79 C ATOM 955 CG ASP A 151 -6.954 12.532 0.312 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.854 11.401 -0.133 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.836 12.889 1.076 1.00 1.83 O ATOM 958 HA ASP A 151 -4.549 11.890 0.227 1.00 0.00 H ATOM 959 HB2 ASP A 151 -5.894 14.383 0.607 1.00 0.00 H ATOM 960 HB3 ASP A 151 -6.165 13.955 -1.098 1.00 0.00 H ATOM 961 H ASP A 151 -4.052 14.567 1.201 1.00 0.00 H ATOM 962 N GLU A 152 -3.591 13.909 -2.165 1.00 0.54 N ATOM 963 CA GLU A 152 -3.096 13.885 -3.571 1.00 0.56 C ATOM 964 C GLU A 152 -1.625 13.466 -3.610 1.00 0.52 C ATOM 965 O GLU A 152 -1.148 12.933 -4.592 1.00 0.65 O ATOM 966 CB GLU A 152 -3.259 15.321 -4.071 1.00 0.60 C ATOM 967 CG GLU A 152 -4.747 15.649 -4.204 1.00 0.77 C ATOM 968 CD GLU A 152 -4.935 17.167 -4.216 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.946 17.868 -4.076 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.065 17.604 -4.365 1.00 1.40 O ATOM 971 HA GLU A 152 -3.643 13.173 -4.189 1.00 0.00 H ATOM 972 HB2 GLU A 152 -2.797 16.008 -3.361 1.00 0.00 H ATOM 973 HB3 GLU A 152 -2.776 15.425 -5.042 1.00 0.00 H ATOM 974 HG2 GLU A 152 -5.131 15.228 -5.133 1.00 0.00 H ATOM 975 HG3 GLU A 152 -5.290 15.222 -3.361 1.00 0.00 H ATOM 976 H GLU A 152 -3.581 14.798 -1.625 1.00 0.00 H ATOM 977 N PHE A 153 -0.901 13.700 -2.549 1.00 0.46 N ATOM 978 CA PHE A 153 0.538 13.311 -2.532 1.00 0.46 C ATOM 979 C PHE A 153 0.693 11.849 -2.961 1.00 0.50 C ATOM 980 O PHE A 153 1.699 11.459 -3.520 1.00 0.64 O ATOM 981 CB PHE A 153 0.984 13.494 -1.081 1.00 0.49 C ATOM 982 CG PHE A 153 2.492 13.515 -1.020 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.215 14.358 -1.872 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.168 12.690 -0.112 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.614 14.378 -1.816 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.567 12.710 -0.056 1.00 0.61 C ATOM 987 CZ PHE A 153 5.290 13.554 -0.908 1.00 0.68 C ATOM 988 HA PHE A 153 1.136 13.910 -3.219 1.00 0.00 H ATOM 989 HB2 PHE A 153 0.591 14.434 -0.695 1.00 0.00 H ATOM 990 HB3 PHE A 153 0.607 12.669 -0.477 1.00 0.00 H ATOM 991 HD2 PHE A 153 2.605 12.033 0.551 1.00 0.00 H ATOM 992 HE2 PHE A 153 5.093 12.069 0.651 1.00 0.00 H ATOM 993 HZ PHE A 153 6.379 13.569 -0.864 1.00 0.00 H ATOM 994 HE1 PHE A 153 5.177 15.035 -2.479 1.00 0.00 H ATOM 995 HD1 PHE A 153 2.689 14.999 -2.579 1.00 0.00 H ATOM 996 H PHE A 153 -1.327 14.157 -1.718 1.00 0.00 H ATOM 997 N LEU A 154 -0.298 11.039 -2.706 1.00 0.53 N ATOM 998 CA LEU A 154 -0.210 9.604 -3.102 1.00 0.62 C ATOM 999 C LEU A 154 -0.170 9.479 -4.627 1.00 0.65 C ATOM 1000 O LEU A 154 0.691 8.827 -5.184 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.480 8.961 -2.543 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.109 7.995 -1.417 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.243 8.719 -0.386 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -2.385 7.486 -0.742 1.00 1.20 C ATOM 1005 HA LEU A 154 0.691 9.124 -2.721 1.00 0.00 H ATOM 1006 HB2 LEU A 154 -2.140 9.737 -2.154 1.00 0.00 H ATOM 1007 HB3 LEU A 154 -1.991 8.416 -3.336 1.00 0.00 H ATOM 1008 HG LEU A 154 -0.554 7.153 -1.830 1.00 0.00 H ATOM 1009 HD21 LEU A 154 -2.938 8.330 -0.330 1.00 0.00 H ATOM 1010 HD22 LEU A 154 -3.002 6.969 -1.477 1.00 0.00 H ATOM 1011 HD23 LEU A 154 -2.120 6.798 0.060 1.00 0.00 H ATOM 1012 HD11 LEU A 154 0.665 9.082 -0.867 1.00 0.00 H ATOM 1013 HD12 LEU A 154 -0.799 9.561 0.026 1.00 0.00 H ATOM 1014 HD13 LEU A 154 0.020 8.028 0.415 1.00 0.00 H ATOM 1015 H LEU A 154 -1.150 11.394 -2.226 1.00 0.00 H ATOM 1016 N GLU A 155 -1.095 10.100 -5.307 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.107 10.018 -6.796 1.00 0.81 C ATOM 1018 C GLU A 155 0.294 10.293 -7.351 1.00 0.76 C ATOM 1019 O GLU A 155 0.630 9.886 -8.445 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.086 11.104 -7.243 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.665 10.740 -8.612 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.016 10.047 -8.427 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.784 10.501 -7.595 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.260 9.074 -9.121 1.00 2.77 O ATOM 1025 HA GLU A 155 -1.402 9.032 -7.155 1.00 0.00 H ATOM 1026 HB2 GLU A 155 -2.895 11.185 -6.517 1.00 0.00 H ATOM 1027 HB3 GLU A 155 -1.564 12.058 -7.312 1.00 0.00 H ATOM 1028 HG2 GLU A 155 -2.799 11.646 -9.203 1.00 0.00 H ATOM 1029 HG3 GLU A 155 -1.980 10.069 -9.130 1.00 0.00 H ATOM 1030 H GLU A 155 -1.823 10.652 -4.811 1.00 0.00 H ATOM 1031 N PHE A 156 1.113 10.980 -6.603 1.00 0.66 N ATOM 1032 CA PHE A 156 2.492 11.280 -7.086 1.00 0.77 C ATOM 1033 C PHE A 156 3.435 10.125 -6.736 1.00 0.71 C ATOM 1034 O PHE A 156 4.225 9.688 -7.548 1.00 0.88 O ATOM 1035 CB PHE A 156 2.901 12.553 -6.345 1.00 0.84 C ATOM 1036 CG PHE A 156 4.236 13.034 -6.863 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.377 13.389 -8.210 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.332 13.124 -5.997 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.614 13.835 -8.691 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.569 13.570 -6.478 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.710 13.925 -7.825 1.00 1.53 C ATOM 1042 HA PHE A 156 2.535 11.408 -8.168 1.00 0.00 H ATOM 1043 HB2 PHE A 156 2.149 13.325 -6.507 1.00 0.00 H ATOM 1044 HB3 PHE A 156 2.980 12.343 -5.278 1.00 0.00 H ATOM 1045 HD2 PHE A 156 5.223 12.847 -4.948 1.00 0.00 H ATOM 1046 HE2 PHE A 156 7.422 13.641 -5.804 1.00 0.00 H ATOM 1047 HZ PHE A 156 7.673 14.271 -8.199 1.00 0.00 H ATOM 1048 HE1 PHE A 156 5.723 14.112 -9.740 1.00 0.00 H ATOM 1049 HD1 PHE A 156 3.524 13.318 -8.884 1.00 0.00 H ATOM 1050 H PHE A 156 0.804 11.319 -5.669 1.00 0.00 H ATOM 1051 N MET A 157 3.356 9.628 -5.532 1.00 0.61 N ATOM 1052 CA MET A 157 4.246 8.501 -5.130 1.00 0.69 C ATOM 1053 C MET A 157 3.619 7.164 -5.535 1.00 0.83 C ATOM 1054 O MET A 157 4.225 6.366 -6.221 1.00 1.17 O ATOM 1055 CB MET A 157 4.352 8.605 -3.608 1.00 0.84 C ATOM 1056 CG MET A 157 4.639 10.056 -3.214 1.00 0.92 C ATOM 1057 SD MET A 157 6.148 10.617 -4.040 1.00 1.56 S ATOM 1058 CE MET A 157 7.244 10.512 -2.604 1.00 0.90 C ATOM 1059 HA MET A 157 5.223 8.552 -5.611 1.00 0.00 H ATOM 1060 HB2 MET A 157 3.414 8.284 -3.155 1.00 0.00 H ATOM 1061 HB3 MET A 157 5.161 7.966 -3.255 1.00 0.00 H ATOM 1062 HG2 MET A 157 4.770 10.121 -2.134 1.00 0.00 H ATOM 1063 HG3 MET A 157 3.803 10.687 -3.516 1.00 0.00 H ATOM 1064 HE1 MET A 157 6.873 11.169 -1.817 1.00 0.00 H ATOM 1065 HE2 MET A 157 7.267 9.485 -2.241 1.00 0.00 H ATOM 1066 HE3 MET A 157 8.249 10.820 -2.892 1.00 0.00 H ATOM 1067 H MET A 157 2.672 10.018 -4.853 1.00 0.00 H ATOM 1068 N LYS A 158 2.408 6.915 -5.116 1.00 0.86 N ATOM 1069 CA LYS A 158 1.743 5.631 -5.478 1.00 1.07 C ATOM 1070 C LYS A 158 2.723 4.465 -5.324 1.00 1.36 C ATOM 1071 O LYS A 158 2.631 3.469 -6.014 1.00 1.73 O ATOM 1072 CB LYS A 158 1.330 5.797 -6.941 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.022 5.118 -7.173 1.00 1.66 C ATOM 1074 CD LYS A 158 0.053 4.248 -8.428 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.909 4.793 -9.486 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.045 5.532 -10.448 1.00 3.52 N ATOM 1077 HA LYS A 158 0.889 5.413 -4.836 1.00 0.00 H ATOM 1078 HB2 LYS A 158 1.249 6.858 -7.177 1.00 0.00 H ATOM 1079 HB3 LYS A 158 2.081 5.339 -7.585 1.00 0.00 H ATOM 1080 HG2 LYS A 158 -0.268 4.495 -6.313 1.00 0.00 H ATOM 1081 HG3 LYS A 158 -0.793 5.878 -7.303 1.00 0.00 H ATOM 1082 HD2 LYS A 158 1.070 4.262 -8.820 1.00 0.00 H ATOM 1083 HD3 LYS A 158 -0.224 3.224 -8.178 1.00 0.00 H ATOM 1084 HE2 LYS A 158 -1.638 5.464 -9.032 1.00 0.00 H ATOM 1085 HE3 LYS A 158 -1.430 3.977 -9.987 1.00 0.00 H ATOM 1086 HZ1 LYS A 158 0.451 6.298 -9.949 1.00 0.00 H ATOM 1087 HZ2 LYS A 158 0.650 4.878 -10.861 1.00 0.00 H ATOM 1088 HZ3 LYS A 158 -0.635 5.935 -11.204 1.00 0.00 H ATOM 1089 H LYS A 158 1.907 7.613 -4.529 1.00 0.00 H ATOM 1090 N GLY A 159 3.661 4.581 -4.424 1.00 1.73 N ATOM 1091 CA GLY A 159 4.645 3.479 -4.226 1.00 2.35 C ATOM 1092 C GLY A 159 5.675 3.500 -5.357 1.00 2.13 C ATOM 1093 O GLY A 159 5.715 2.616 -6.189 1.00 2.59 O ATOM 1094 HA3 GLY A 159 4.123 2.522 -4.228 1.00 0.00 H ATOM 1095 HA2 GLY A 159 5.152 3.613 -3.271 1.00 0.00 H ATOM 1096 H GLY A 159 3.722 5.443 -3.845 1.00 0.00 H ATOM 1097 N VAL A 160 6.509 4.503 -5.393 1.00 1.87 N ATOM 1098 CA VAL A 160 7.537 4.579 -6.471 1.00 1.87 C ATOM 1099 C VAL A 160 8.943 4.531 -5.866 1.00 2.39 C ATOM 1100 O VAL A 160 9.112 4.548 -4.663 1.00 3.11 O ATOM 1101 CB VAL A 160 7.293 5.924 -7.156 1.00 1.68 C ATOM 1102 CG1 VAL A 160 7.606 7.059 -6.180 1.00 1.89 C ATOM 1103 CG2 VAL A 160 8.200 6.042 -8.382 1.00 1.76 C ATOM 1104 HA VAL A 160 7.465 3.746 -7.171 1.00 0.00 H ATOM 1105 HB VAL A 160 6.250 5.990 -7.466 1.00 0.00 H ATOM 1106 HG11 VAL A 160 6.960 6.974 -5.306 1.00 0.00 H ATOM 1107 HG12 VAL A 160 8.649 6.993 -5.870 1.00 0.00 H ATOM 1108 HG13 VAL A 160 7.431 8.017 -6.670 1.00 0.00 H ATOM 1109 HG21 VAL A 160 9.242 5.976 -8.069 1.00 0.00 H ATOM 1110 HG22 VAL A 160 7.976 5.233 -9.077 1.00 0.00 H ATOM 1111 HG23 VAL A 160 8.026 7.001 -8.870 1.00 0.00 H ATOM 1112 H VAL A 160 6.457 5.249 -4.670 1.00 0.00 H ATOM 1113 N GLU A 161 9.952 4.470 -6.692 1.00 2.52 N ATOM 1114 CA GLU A 161 11.345 4.422 -6.164 1.00 3.28 C ATOM 1115 C GLU A 161 12.351 4.494 -7.316 1.00 3.90 C ATOM 1116 O GLU A 161 12.036 3.994 -8.383 1.00 4.34 O ATOM 1117 CB GLU A 161 11.450 3.077 -5.444 1.00 3.49 C ATOM 1118 CG GLU A 161 12.152 3.271 -4.099 1.00 4.11 C ATOM 1119 CD GLU A 161 12.442 1.907 -3.471 1.00 4.29 C ATOM 1120 OE1 GLU A 161 12.238 0.911 -4.145 1.00 4.56 O ATOM 1121 OE2 GLU A 161 12.862 1.882 -2.325 1.00 4.60 O ATOM 1122 HA GLU A 161 11.563 5.258 -5.500 1.00 0.00 H ATOM 1123 OXT GLU A 161 13.418 5.047 -7.110 1.00 4.37 O ATOM 1124 HB2 GLU A 161 10.451 2.675 -5.278 1.00 0.00 H ATOM 1125 HB3 GLU A 161 12.023 2.381 -6.056 1.00 0.00 H ATOM 1126 HG2 GLU A 161 13.089 3.807 -4.252 1.00 0.00 H ATOM 1127 HG3 GLU A 161 11.509 3.848 -3.434 1.00 0.00 H ATOM 1128 H GLU A 161 9.784 4.455 -7.718 1.00 0.00 H TER 1129 GLU A 161 HETATM 1130 CA CA A 1 3.584 25.020 0.699 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.915 19.439 -5.725 1.00 0.75 CA HETATM 1132 O1 KDH A 3 9.729 8.020 -10.452 1.00 -0.34 O HETATM 1133 C3 KDH A 3 8.999 8.949 -9.774 1.00 0.10 C HETATM 1134 C6 KDH A 3 7.912 9.610 -10.446 1.00 0.14 C HETATM 1135 O7 KDH A 3 7.629 9.295 -11.747 1.00 -0.35 O HETATM 1136 H KDH A 3 6.883 9.819 -12.047 1.00 0.24 H HETATM 1137 C9 KDH A 3 7.112 10.605 -9.764 1.00 0.10 C HETATM 1138 O10 KDH A 3 6.091 11.210 -10.436 1.00 -0.34 O HETATM 1139 H KDH A 3 5.657 11.840 -9.856 1.00 0.24 H HETATM 1140 C12 KDH A 3 7.407 10.940 -8.390 1.00 -0.05 C HETATM 1141 C14 KDH A 3 8.491 10.269 -7.706 1.00 -0.03 C HETATM 1142 C15 KDH A 3 8.719 10.612 -6.366 1.00 0.14 C HETATM 1143 C33 KDH A 3 9.439 11.981 -6.199 1.00 0.13 C HETATM 1144 C01 KDH A 3 9.629 12.273 -4.676 1.00 0.01 C HETATM 1145 C31 KDH A 3 10.167 11.192 -3.898 1.00 0.01 C HETATM 1146 C20 KDH A 3 9.945 9.810 -4.326 1.00 0.08 C HETATM 1147 C21 KDH A 3 10.313 8.717 -3.459 1.00 -0.02 C HETATM 1148 C24 KDH A 3 11.025 8.988 -2.241 1.00 0.06 C HETATM 1149 C26 KDH A 3 11.317 10.337 -1.839 1.00 -0.02 C HETATM 1150 C29 KDH A 3 10.914 11.440 -2.687 1.00 0.07 C HETATM 1151 O03 KDH A 3 11.242 12.715 -2.336 1.00 -0.34 O HETATM 1152 H KDH A 3 11.734 12.702 -1.512 1.00 0.25 H HETATM 1153 H KDH A 3 11.839 10.529 -0.901 1.00 0.04 H HETATM 1154 O02 KDH A 3 11.431 7.951 -1.450 1.00 -0.34 O HETATM 1155 H KDH A 3 11.164 7.121 -1.851 1.00 0.25 H HETATM 1156 H KDH A 3 10.053 7.693 -3.726 1.00 0.04 H HETATM 1157 O01 KDH A 3 9.389 9.543 -5.573 1.00 -0.31 O HETATM 1158 H KDH A 3 10.346 13.091 -4.605 1.00 0.04 H HETATM 1159 H KDH A 3 8.637 12.479 -4.275 1.00 0.04 H HETATM 1160 O35 KDH A 3 10.710 12.011 -6.896 1.00 -0.27 O HETATM 1161 C36 KDH A 3 10.685 12.527 -8.165 1.00 0.25 C HETATM 1162 C38 KDH A 3 11.728 12.110 -8.989 1.00 0.03 C HETATM 1163 C39 KDH A 3 12.201 12.995 -10.038 1.00 -0.03 C HETATM 1164 C49 KDH A 3 13.270 12.566 -10.903 1.00 0.11 C HETATM 1165 C46 KDH A 3 13.856 11.252 -10.719 1.00 0.15 C HETATM 1166 C43 KDH A 3 13.389 10.379 -9.669 1.00 0.11 C HETATM 1167 C41 KDH A 3 12.327 10.812 -8.797 1.00 -0.03 C HETATM 1168 H KDH A 3 11.978 10.161 -7.995 1.00 0.05 H HETATM 1169 O44 KDH A 3 13.974 9.149 -9.527 1.00 -0.34 O HETATM 1170 H KDH A 3 14.656 9.041 -10.194 1.00 0.24 H HETATM 1171 O47 KDH A 3 14.857 10.843 -11.549 1.00 -0.34 O HETATM 1172 H KDH A 3 15.046 11.536 -12.186 1.00 0.24 H HETATM 1173 O50 KDH A 3 13.752 13.369 -11.898 1.00 -0.34 O HETATM 1174 H KDH A 3 13.271 14.200 -11.898 1.00 0.24 H HETATM 1175 H KDH A 3 11.750 13.978 -10.170 1.00 0.05 H HETATM 1176 O37 KDH A 3 9.822 13.307 -8.588 1.00 -0.36 O HETATM 1177 H KDH A 3 8.820 12.759 -6.646 1.00 0.07 H HETATM 1178 H KDH A 3 7.720 10.721 -5.944 1.00 0.08 H HETATM 1179 C4 KDH A 3 9.299 9.278 -8.401 1.00 -0.05 C HETATM 1180 H KDH A 3 10.126 8.787 -7.888 1.00 0.04 H HETATM 1181 H KDH A 3 6.816 11.695 -7.871 1.00 0.04 H HETATM 1182 H KDH A 3 10.413 7.670 -9.877 1.00 0.24 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 253 252 1130 CONECT 312 310 1130 CONECT 327 326 1130 CONECT 414 413 1130 CONECT 862 860 1131 CONECT 969 968 1131 CONECT 970 968 1131 CONECT 1130 253 312 327 414 CONECT 1131 862 969 970 CONECT 1132 1133 1182 CONECT 1133 1132 1134 1179 CONECT 1134 1133 1135 1137 CONECT 1135 1134 1136 CONECT 1136 1135 CONECT 1137 1134 1138 1140 CONECT 1138 1137 1139 CONECT 1139 1138 CONECT 1140 1137 1141 1181 CONECT 1141 1140 1142 1179 CONECT 1142 1141 1143 1157 1178 CONECT 1143 1142 1144 1160 1177 CONECT 1144 1143 1145 1158 1159 CONECT 1145 1144 1146 1150 CONECT 1146 1145 1147 1157 CONECT 1147 1146 1148 1156 CONECT 1148 1147 1149 1154 CONECT 1149 1148 1150 1153 CONECT 1150 1145 1149 1151 CONECT 1151 1150 1152 CONECT 1152 1151 CONECT 1153 1149 CONECT 1154 1148 1155 CONECT 1155 1154 CONECT 1156 1147 CONECT 1157 1142 1146 CONECT 1158 1144 CONECT 1159 1144 CONECT 1160 1143 1161 CONECT 1161 1160 1162 1176 CONECT 1162 1161 1163 1167 CONECT 1163 1162 1164 1175 CONECT 1164 1163 1165 1173 CONECT 1165 1164 1166 1171 CONECT 1166 1165 1167 1169 CONECT 1167 1162 1166 1168 CONECT 1168 1167 CONECT 1169 1166 1170 CONECT 1170 1169 CONECT 1171 1165 1172 CONECT 1172 1171 CONECT 1173 1164 1174 CONECT 1174 1173 CONECT 1175 1163 CONECT 1176 1161 CONECT 1177 1143 CONECT 1178 1142 CONECT 1179 1133 1141 1180 CONECT 1180 1179 CONECT 1181 1140 CONECT 1182 1132 MASTER 0 0 0 0 0 0 0 0 1181 1 64 6 END
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Structure:
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Related entries of code: 2kdh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ih0
RCSB PDB
PDBbind
71aa, >1IH0_1|Chain... at 100%
2l98
RCSB PDB
PDBbind
72aa, >2L98_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3oob
RCSB PDB
PDBbind
KDH
4awm
RCSB PDB
PDBbind
KDH
Entry Information
PDB ID
2kdh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Cardiac Troponin C
Ligand Name
KDH
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.1mM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Biol.Chem. Vol. 284: pp. 23012-23023
Ligand Properties
Formula
C
2
2
H
1
8
O
1
1
Molecular Weight
458.372
Exact Mass
458.085
No. of atoms
51
No. of bonds
54
Polar Surface Area
197.37
LOGP Value
2.23 (
Computed with XLOGP3
)
2.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O
InChI String
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P63316
Entrez Gene ID
NCBI Entrez Gene ID:
7134
ASD
Information of known allosteric effects of PDB entries
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