Browse entries in the PDBbind-CN Database
HEADER 3KIV_COMPLEX COMPND 3KIV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 79 GLN CYS TYR HIS GLY ASN GLY GLN SER TYR ARG GLY THR SEQRES 2 A 79 PHE SER THR THR VAL THR GLY ARG THR CYS GLN SER TRP SEQRES 3 A 79 SER SER MET THR PRO HIS ARG HIS GLN ARG THR PRO GLU SEQRES 4 A 79 ASN TYR PRO ASN ASP GLY LEU THR MET ASN TYR CYS ARG SEQRES 5 A 79 ASN PRO ASP ALA ASP THR GLY PRO TRP CYS PHE THR THR SEQRES 6 A 79 ASP PRO SER ILE ARG TRP GLU TYR CYS ASN LEU THR ARG SEQRES 7 A 79 CYS HET ACA A 188 22 SSBOND 1 CYS A 22 CYS A 63 SSBOND 2 CYS A 51 CYS A 75 SSBOND 3 CYS A 1 CYS A 80 ATOM 1 N GLN A 0 8.483 18.248 28.642 1.00 22.60 N ATOM 2 CA GLN A 0 8.557 19.232 27.521 1.00 23.39 C ATOM 3 C GLN A 0 9.879 19.122 26.748 1.00 21.94 C ATOM 4 O GLN A 0 10.115 19.953 25.823 1.00 20.16 O ATOM 5 CB GLN A 0 8.332 20.656 28.066 1.00 23.44 C ATOM 6 CG GLN A 0 7.266 20.708 29.140 1.00 27.13 C ATOM 7 CD GLN A 0 7.411 21.608 30.322 1.00 28.33 C ATOM 8 OE1 GLN A 0 6.516 21.798 31.156 1.00 31.50 O ATOM 9 NE2 GLN A 0 8.566 22.215 30.582 1.00 32.39 N ATOM 10 HA GLN A 0 7.766 19.002 26.807 1.00 0.00 H ATOM 11 HB2 GLN A 0 9.269 21.021 28.486 1.00 0.00 H ATOM 12 HB3 GLN A 0 8.029 21.302 27.242 1.00 0.00 H ATOM 13 HG2 GLN A 0 6.339 20.994 28.644 1.00 0.00 H ATOM 14 HG3 GLN A 0 7.169 19.695 29.531 1.00 0.00 H ATOM 15 HE22 GLN A 0 9.369 22.106 29.930 1.00 0.00 H ATOM 16 HE21 GLN A 0 8.666 22.798 31.437 1.00 0.00 H ATOM 17 HN3 GLN A 0 9.264 18.421 29.306 1.00 0.00 H ATOM 18 HN2 GLN A 0 8.558 17.283 28.261 1.00 0.00 H ATOM 19 HN1 GLN A 0 7.575 18.356 29.137 1.00 0.00 H ATOM 20 N CYS A 1 10.738 18.157 27.135 1.00 20.46 N ATOM 21 CA CYS A 1 12.020 18.038 26.409 1.00 20.10 C ATOM 22 C CYS A 1 12.266 16.578 25.983 1.00 18.56 C ATOM 23 O CYS A 1 11.863 15.646 26.707 1.00 17.62 O ATOM 24 CB CYS A 1 13.194 18.618 27.176 1.00 21.04 C ATOM 25 SG CYS A 1 13.642 17.773 28.736 1.00 26.59 S ATOM 26 HA CYS A 1 11.937 18.645 25.508 1.00 0.00 H ATOM 27 HB2 CYS A 1 12.955 19.654 27.416 1.00 0.00 H ATOM 28 HB3 CYS A 1 14.065 18.590 26.521 1.00 0.00 H ATOM 29 H CYS A 1 10.505 17.516 27.920 1.00 0.00 H ATOM 30 N TYR A 2 13.022 16.494 24.915 1.00 16.47 N ATOM 31 CA TYR A 2 13.474 15.270 24.209 1.00 16.51 C ATOM 32 C TYR A 2 14.964 15.048 24.413 1.00 17.94 C ATOM 33 O TYR A 2 15.744 16.020 24.593 1.00 20.83 O ATOM 34 CB TYR A 2 13.052 15.406 22.760 1.00 13.85 C ATOM 35 CG TYR A 2 13.808 16.304 21.831 1.00 16.64 C ATOM 36 CD1 TYR A 2 15.117 15.971 21.400 1.00 19.03 C ATOM 37 CD2 TYR A 2 13.298 17.511 21.342 1.00 15.94 C ATOM 38 CE1 TYR A 2 15.890 16.832 20.620 1.00 14.66 C ATOM 39 CE2 TYR A 2 13.996 18.310 20.479 1.00 17.16 C ATOM 40 CZ TYR A 2 15.319 17.972 20.133 1.00 17.01 C ATOM 41 OH TYR A 2 15.950 18.756 19.214 1.00 17.74 O ATOM 42 HA TYR A 2 13.010 14.371 24.614 1.00 0.00 H ATOM 43 HB3 TYR A 2 12.021 15.759 22.766 1.00 0.00 H ATOM 44 HB2 TYR A 2 13.090 14.406 22.328 1.00 0.00 H ATOM 45 HD2 TYR A 2 12.305 17.827 21.661 1.00 0.00 H ATOM 46 HE2 TYR A 2 13.531 19.203 20.061 1.00 0.00 H ATOM 47 HE1 TYR A 2 16.932 16.598 20.403 1.00 0.00 H ATOM 48 HD1 TYR A 2 15.535 15.007 21.689 1.00 0.00 H ATOM 49 HH TYR A 2 16.866 18.412 19.062 1.00 0.00 H ATOM 50 H TYR A 2 13.345 17.397 24.513 1.00 0.00 H ATOM 51 N HIS A 3 15.434 13.814 24.486 1.00 17.25 N ATOM 52 CA HIS A 3 16.873 13.581 24.665 1.00 17.53 C ATOM 53 C HIS A 3 17.483 13.188 23.319 1.00 17.45 C ATOM 54 O HIS A 3 16.812 12.770 22.373 1.00 15.86 O ATOM 55 CB HIS A 3 17.273 12.531 25.719 1.00 20.06 C ATOM 56 CG HIS A 3 16.497 12.652 26.990 1.00 21.45 C ATOM 57 ND1 HIS A 3 17.056 13.111 28.128 1.00 22.03 N ATOM 58 CD2 HIS A 3 15.173 12.461 27.237 1.00 20.34 C ATOM 59 CE1 HIS A 3 16.103 13.139 29.080 1.00 24.46 C ATOM 60 NE2 HIS A 3 14.989 12.713 28.574 1.00 22.68 N ATOM 61 HA HIS A 3 17.261 14.524 25.049 1.00 0.00 H ATOM 62 HB2 HIS A 3 17.104 11.538 25.302 1.00 0.00 H ATOM 63 HB3 HIS A 3 18.332 12.653 25.946 1.00 0.00 H ATOM 64 HD2 HIS A 3 14.410 12.166 26.517 1.00 0.00 H ATOM 65 HE1 HIS A 3 16.246 13.467 30.110 1.00 0.00 H ATOM 66 H HIS A 3 14.783 13.006 24.416 1.00 0.00 H ATOM 67 N GLY A 4 18.790 13.481 23.260 1.00 18.46 N ATOM 68 CA GLY A 4 19.572 13.253 22.019 1.00 15.87 C ATOM 69 C GLY A 4 18.926 13.963 20.836 1.00 14.85 C ATOM 70 O GLY A 4 18.705 15.164 20.809 1.00 15.14 O ATOM 71 HA3 GLY A 4 19.615 12.183 21.814 1.00 0.00 H ATOM 72 HA2 GLY A 4 20.583 13.636 22.158 1.00 0.00 H ATOM 73 H GLY A 4 19.264 13.875 24.098 1.00 0.00 H ATOM 74 N ASN A 5 18.568 13.134 19.851 1.00 13.02 N ATOM 75 CA ASN A 5 17.930 13.477 18.616 1.00 12.61 C ATOM 76 C ASN A 5 16.397 13.322 18.649 1.00 9.63 C ATOM 77 O ASN A 5 15.857 13.535 17.604 1.00 11.70 O ATOM 78 CB ASN A 5 18.548 12.807 17.409 1.00 13.70 C ATOM 79 CG ASN A 5 18.386 11.361 17.131 1.00 8.34 C ATOM 80 OD1 ASN A 5 18.728 10.983 15.988 1.00 13.95 O ATOM 81 ND2 ASN A 5 17.715 10.600 17.980 1.00 10.19 N ATOM 82 HA ASN A 5 18.121 14.544 18.499 1.00 0.00 H ATOM 83 HB2 ASN A 5 18.153 13.329 16.537 1.00 0.00 H ATOM 84 HB3 ASN A 5 19.621 12.983 17.481 1.00 0.00 H ATOM 85 HD22 ASN A 5 17.458 10.969 18.918 1.00 0.00 H ATOM 86 HD21 ASN A 5 17.445 9.633 17.710 1.00 0.00 H ATOM 87 H ASN A 5 18.776 12.126 19.998 1.00 0.00 H ATOM 88 N GLY A 6 15.787 13.016 19.734 1.00 13.59 N ATOM 89 CA GLY A 6 14.301 12.829 19.828 1.00 14.85 C ATOM 90 C GLY A 6 13.814 11.484 19.294 1.00 13.42 C ATOM 91 O GLY A 6 12.595 11.267 19.093 1.00 12.93 O ATOM 92 HA3 GLY A 6 13.818 13.621 19.256 1.00 0.00 H ATOM 93 HA2 GLY A 6 14.010 12.909 20.875 1.00 0.00 H ATOM 94 H GLY A 6 16.353 12.890 20.597 1.00 0.00 H ATOM 95 N GLN A 7 14.759 10.608 19.005 1.00 12.18 N ATOM 96 CA GLN A 7 14.412 9.273 18.449 1.00 13.02 C ATOM 97 C GLN A 7 13.616 8.415 19.378 1.00 10.62 C ATOM 98 O GLN A 7 12.710 7.714 18.933 1.00 10.91 O ATOM 99 CB GLN A 7 15.702 8.610 17.957 1.00 14.30 C ATOM 100 CG GLN A 7 15.713 8.670 16.405 1.00 20.98 C ATOM 101 CD GLN A 7 15.557 7.223 15.926 1.00 22.84 C ATOM 102 OE1 GLN A 7 14.931 6.404 16.571 1.00 23.44 O ATOM 103 NE2 GLN A 7 16.332 6.903 14.893 1.00 25.33 N ATOM 104 HA GLN A 7 13.734 9.410 17.607 1.00 0.00 H ATOM 105 HB2 GLN A 7 16.566 9.143 18.354 1.00 0.00 H ATOM 106 HB3 GLN A 7 15.734 7.572 18.287 1.00 0.00 H ATOM 107 HG2 GLN A 7 14.886 9.280 16.043 1.00 0.00 H ATOM 108 HG3 GLN A 7 16.654 9.088 16.048 1.00 0.00 H ATOM 109 HE22 GLN A 7 16.845 7.647 14.378 1.00 0.00 H ATOM 110 HE21 GLN A 7 16.425 5.909 14.601 1.00 0.00 H ATOM 111 H GLN A 7 15.756 10.854 19.168 1.00 0.00 H ATOM 112 N SER A 8 13.834 8.514 20.662 1.00 12.51 N ATOM 113 CA SER A 8 13.205 7.851 21.778 1.00 14.40 C ATOM 114 C SER A 8 12.040 8.607 22.390 1.00 11.49 C ATOM 115 O SER A 8 11.453 8.174 23.382 1.00 12.71 O ATOM 116 CB SER A 8 14.243 7.563 22.903 1.00 14.41 C ATOM 117 OG SER A 8 15.534 7.504 22.289 1.00 25.71 O ATOM 118 HA SER A 8 12.805 6.928 21.358 1.00 0.00 H ATOM 119 HB2 SER A 8 14.016 6.612 23.386 1.00 0.00 H ATOM 120 HB3 SER A 8 14.219 8.361 23.645 1.00 0.00 H ATOM 121 HG SER A 8 15.729 8.370 21.850 1.00 0.00 H ATOM 122 H SER A 8 14.587 9.182 20.923 1.00 0.00 H ATOM 123 N TYR A 9 11.739 9.774 21.878 1.00 12.43 N ATOM 124 CA TYR A 9 10.684 10.609 22.512 1.00 11.91 C ATOM 125 C TYR A 9 9.330 9.928 22.307 1.00 11.77 C ATOM 126 O TYR A 9 9.007 9.584 21.166 1.00 12.84 O ATOM 127 CB TYR A 9 10.660 12.018 21.916 1.00 12.99 C ATOM 128 CG TYR A 9 9.449 12.804 22.371 1.00 9.84 C ATOM 129 CD1 TYR A 9 9.365 13.229 23.672 1.00 11.30 C ATOM 130 CD2 TYR A 9 8.420 13.143 21.491 1.00 13.78 C ATOM 131 CE1 TYR A 9 8.378 14.149 24.100 1.00 12.06 C ATOM 132 CE2 TYR A 9 7.327 13.923 21.955 1.00 12.25 C ATOM 133 CZ TYR A 9 7.306 14.397 23.236 1.00 12.16 C ATOM 134 OH TYR A 9 6.233 15.171 23.678 1.00 14.03 O ATOM 135 HA TYR A 9 10.899 10.705 23.576 1.00 0.00 H ATOM 136 HB3 TYR A 9 10.642 11.941 20.829 1.00 0.00 H ATOM 137 HB2 TYR A 9 11.561 12.547 22.226 1.00 0.00 H ATOM 138 HD2 TYR A 9 8.455 12.811 20.453 1.00 0.00 H ATOM 139 HE2 TYR A 9 6.498 14.145 21.283 1.00 0.00 H ATOM 140 HE1 TYR A 9 8.451 14.646 25.067 1.00 0.00 H ATOM 141 HD1 TYR A 9 10.081 12.846 24.400 1.00 0.00 H ATOM 142 HH TYR A 9 6.380 15.428 24.623 1.00 0.00 H ATOM 143 H TYR A 9 12.236 10.116 21.031 1.00 0.00 H ATOM 144 N ARG A 10 8.592 9.824 23.412 1.00 14.86 N ATOM 145 CA ARG A 10 7.274 9.136 23.342 1.00 16.31 C ATOM 146 C ARG A 10 6.246 9.901 24.171 1.00 17.88 C ATOM 147 O ARG A 10 5.451 9.302 24.929 1.00 16.86 O ATOM 148 CB ARG A 10 7.389 7.703 23.794 1.00 15.92 C ATOM 149 CG ARG A 10 8.163 6.735 22.919 1.00 16.98 C ATOM 150 CD ARG A 10 7.549 6.568 21.527 1.00 18.82 C ATOM 151 NE ARG A 10 8.278 5.510 20.800 1.00 15.31 N ATOM 152 CZ ARG A 10 9.393 5.882 20.143 1.00 15.60 C ATOM 153 NH1 ARG A 10 9.818 7.135 20.133 1.00 15.38 N ATOM 154 NH2 ARG A 10 9.971 4.998 19.405 1.00 16.76 N ATOM 155 HA ARG A 10 6.938 9.121 22.305 1.00 0.00 H ATOM 156 HB2 ARG A 10 7.870 7.710 24.772 1.00 0.00 H ATOM 157 HB3 ARG A 10 6.376 7.312 23.891 1.00 0.00 H ATOM 158 HG2 ARG A 10 9.182 7.105 22.808 1.00 0.00 H ATOM 159 HG3 ARG A 10 8.183 5.762 23.410 1.00 0.00 H ATOM 160 HD2 ARG A 10 7.626 7.507 20.979 1.00 0.00 H ATOM 161 HD3 ARG A 10 6.500 6.289 21.622 1.00 0.00 H ATOM 162 HE ARG A 10 7.946 4.524 20.795 1.00 0.00 H ATOM 163 HH12 ARG A 10 10.684 7.386 19.615 1.00 0.00 H ATOM 164 HH11 ARG A 10 9.286 7.869 20.643 1.00 0.00 H ATOM 165 HH22 ARG A 10 10.835 5.243 18.880 1.00 0.00 H ATOM 166 HH21 ARG A 10 9.574 4.039 19.334 1.00 0.00 H ATOM 167 H ARG A 10 8.933 10.219 24.312 1.00 0.00 H ATOM 168 N GLY A 11 6.394 11.225 24.045 1.00 17.61 N ATOM 169 CA GLY A 11 5.532 12.197 24.702 1.00 14.69 C ATOM 170 C GLY A 11 4.268 12.410 23.858 1.00 13.71 C ATOM 171 O GLY A 11 4.083 11.954 22.741 1.00 12.98 O ATOM 172 HA3 GLY A 11 6.064 13.143 24.807 1.00 0.00 H ATOM 173 HA2 GLY A 11 5.253 11.828 25.689 1.00 0.00 H ATOM 174 H GLY A 11 7.167 11.579 23.445 1.00 0.00 H ATOM 175 N THR A 12 3.363 13.166 24.476 1.00 14.15 N ATOM 176 CA THR A 12 2.070 13.484 23.861 1.00 14.00 C ATOM 177 C THR A 12 1.950 14.859 23.244 1.00 14.24 C ATOM 178 O THR A 12 0.814 15.219 22.871 1.00 12.54 O ATOM 179 CB THR A 12 0.898 13.227 24.889 1.00 11.06 C ATOM 180 OG1 THR A 12 1.281 13.852 26.158 1.00 17.12 O ATOM 181 CG2 THR A 12 0.690 11.726 24.999 1.00 15.91 C ATOM 182 HA THR A 12 1.993 12.804 23.012 1.00 0.00 H ATOM 183 HB THR A 12 -0.050 13.663 24.574 1.00 0.00 H ATOM 184 HG1 THR A 12 2.123 13.446 26.484 1.00 0.00 H ATOM 185 HG23 THR A 12 0.408 11.327 24.024 1.00 0.00 H ATOM 186 HG21 THR A 12 1.615 11.256 25.332 1.00 0.00 H ATOM 187 HG22 THR A 12 -0.102 11.522 25.719 1.00 0.00 H ATOM 188 H THR A 12 3.579 13.542 25.421 1.00 0.00 H ATOM 189 N PHE A 13 3.055 15.534 22.973 1.00 12.68 N ATOM 190 CA PHE A 13 3.050 16.822 22.292 1.00 13.46 C ATOM 191 C PHE A 13 2.715 16.583 20.824 1.00 12.83 C ATOM 192 O PHE A 13 3.146 15.519 20.326 1.00 12.87 O ATOM 193 CB PHE A 13 4.425 17.524 22.426 1.00 13.36 C ATOM 194 CG PHE A 13 4.265 19.021 22.458 1.00 10.70 C ATOM 195 CD1 PHE A 13 3.749 19.596 23.588 1.00 10.32 C ATOM 196 CD2 PHE A 13 4.627 19.784 21.352 1.00 7.88 C ATOM 197 CE1 PHE A 13 3.439 20.966 23.605 1.00 11.56 C ATOM 198 CE2 PHE A 13 4.424 21.184 21.401 1.00 14.98 C ATOM 199 CZ PHE A 13 3.822 21.768 22.545 1.00 13.55 C ATOM 200 HA PHE A 13 2.305 17.475 22.746 1.00 0.00 H ATOM 201 HB2 PHE A 13 4.905 17.197 23.348 1.00 0.00 H ATOM 202 HB3 PHE A 13 5.050 17.250 21.576 1.00 0.00 H ATOM 203 HD2 PHE A 13 5.057 19.314 20.468 1.00 0.00 H ATOM 204 HE2 PHE A 13 4.729 21.811 20.563 1.00 0.00 H ATOM 205 HZ PHE A 13 3.662 22.845 22.589 1.00 0.00 H ATOM 206 HE1 PHE A 13 2.899 21.395 24.449 1.00 0.00 H ATOM 207 HD1 PHE A 13 3.578 18.989 24.477 1.00 0.00 H ATOM 208 H PHE A 13 3.968 15.127 23.259 1.00 0.00 H ATOM 209 N SER A 14 1.901 17.457 20.270 1.00 10.58 N ATOM 210 CA SER A 14 1.472 17.402 18.909 1.00 10.89 C ATOM 211 C SER A 14 1.407 18.762 18.240 1.00 11.76 C ATOM 212 O SER A 14 0.614 18.980 17.294 1.00 13.67 O ATOM 213 CB SER A 14 0.111 16.702 18.759 1.00 11.51 C ATOM 214 OG SER A 14 -0.861 17.149 19.696 1.00 9.69 O ATOM 215 HA SER A 14 2.239 16.816 18.403 1.00 0.00 H ATOM 216 HB2 SER A 14 0.256 15.630 18.896 1.00 0.00 H ATOM 217 HB3 SER A 14 -0.266 16.890 17.754 1.00 0.00 H ATOM 218 HG SER A 14 -1.011 18.120 19.576 1.00 0.00 H ATOM 219 H SER A 14 1.548 18.237 20.861 1.00 0.00 H ATOM 220 N THR A 15 2.281 19.658 18.610 1.00 11.94 N ATOM 221 CA THR A 15 2.269 21.013 18.027 1.00 11.43 C ATOM 222 C THR A 15 3.628 21.397 17.455 1.00 12.20 C ATOM 223 O THR A 15 4.708 21.135 18.007 1.00 16.15 O ATOM 224 CB THR A 15 1.837 22.065 19.063 1.00 8.88 C ATOM 225 OG1 THR A 15 0.551 21.551 19.524 1.00 18.20 O ATOM 226 CG2 THR A 15 1.776 23.506 18.538 1.00 9.86 C ATOM 227 HA THR A 15 1.543 20.993 17.214 1.00 0.00 H ATOM 228 HB THR A 15 2.569 22.176 19.863 1.00 0.00 H ATOM 229 HG1 THR A 15 0.679 20.653 19.920 1.00 0.00 H ATOM 230 HG23 THR A 15 2.770 23.816 18.214 1.00 0.00 H ATOM 231 HG21 THR A 15 1.086 23.555 17.695 1.00 0.00 H ATOM 232 HG22 THR A 15 1.429 24.166 19.333 1.00 0.00 H ATOM 233 H THR A 15 2.995 19.413 19.325 1.00 0.00 H ATOM 234 N THR A 16 3.506 22.019 16.330 1.00 9.46 N ATOM 235 CA THR A 16 4.652 22.463 15.512 1.00 10.60 C ATOM 236 C THR A 16 5.235 23.721 16.106 1.00 11.99 C ATOM 237 O THR A 16 4.625 24.450 16.936 1.00 11.61 O ATOM 238 CB THR A 16 4.004 22.571 14.088 1.00 10.74 C ATOM 239 OG1 THR A 16 4.391 21.434 13.258 1.00 17.26 O ATOM 240 CG2 THR A 16 4.131 23.893 13.374 1.00 11.09 C ATOM 241 HA THR A 16 5.523 21.810 15.469 1.00 0.00 H ATOM 242 HB THR A 16 2.931 22.530 14.277 1.00 0.00 H ATOM 243 HG1 THR A 16 3.972 21.521 12.365 1.00 0.00 H ATOM 244 HG23 THR A 16 3.829 24.697 14.045 1.00 0.00 H ATOM 245 HG21 THR A 16 5.167 24.042 13.070 1.00 0.00 H ATOM 246 HG22 THR A 16 3.489 23.892 12.493 1.00 0.00 H ATOM 247 H THR A 16 2.547 22.218 15.981 1.00 0.00 H ATOM 248 N VAL A 17 6.465 24.013 15.678 1.00 11.86 N ATOM 249 CA VAL A 17 7.197 25.185 16.187 1.00 14.57 C ATOM 250 C VAL A 17 6.465 26.506 15.887 1.00 12.74 C ATOM 251 O VAL A 17 6.537 27.431 16.726 1.00 16.69 O ATOM 252 CB VAL A 17 8.681 25.235 15.673 1.00 11.83 C ATOM 253 CG1 VAL A 17 8.820 25.493 14.203 1.00 16.17 C ATOM 254 CG2 VAL A 17 9.417 26.332 16.454 1.00 16.57 C ATOM 255 HA VAL A 17 7.232 25.068 17.270 1.00 0.00 H ATOM 256 HB VAL A 17 9.111 24.247 15.840 1.00 0.00 H ATOM 257 HG11 VAL A 17 8.317 24.701 13.647 1.00 0.00 H ATOM 258 HG12 VAL A 17 8.366 26.454 13.960 1.00 0.00 H ATOM 259 HG13 VAL A 17 9.877 25.511 13.937 1.00 0.00 H ATOM 260 HG21 VAL A 17 8.926 27.290 16.282 1.00 0.00 H ATOM 261 HG22 VAL A 17 9.394 26.096 17.518 1.00 0.00 H ATOM 262 HG23 VAL A 17 10.451 26.386 16.114 1.00 0.00 H ATOM 263 H VAL A 17 6.916 23.400 14.970 1.00 0.00 H ATOM 264 N THR A 18 5.849 26.546 14.781 1.00 12.75 N ATOM 265 CA THR A 18 5.037 27.593 14.141 1.00 15.22 C ATOM 266 C THR A 18 3.655 27.725 14.748 1.00 15.37 C ATOM 267 O THR A 18 2.888 28.761 14.649 1.00 16.43 O ATOM 268 CB THR A 18 4.988 27.218 12.598 1.00 13.11 C ATOM 269 OG1 THR A 18 4.789 28.470 11.860 1.00 27.82 O ATOM 270 CG2 THR A 18 4.000 26.186 12.173 1.00 14.49 C ATOM 271 HA THR A 18 5.483 28.575 14.296 1.00 0.00 H ATOM 272 HB THR A 18 5.935 26.728 12.372 1.00 0.00 H ATOM 273 HG1 THR A 18 5.541 29.086 12.048 1.00 0.00 H ATOM 274 HG23 THR A 18 4.170 25.268 12.736 1.00 0.00 H ATOM 275 HG21 THR A 18 2.991 26.550 12.366 1.00 0.00 H ATOM 276 HG22 THR A 18 4.119 25.988 11.108 1.00 0.00 H ATOM 277 H THR A 18 5.933 25.675 14.219 1.00 0.00 H ATOM 278 N GLY A 19 3.292 26.724 15.490 1.00 13.94 N ATOM 279 CA GLY A 19 2.077 26.488 16.193 1.00 13.39 C ATOM 280 C GLY A 19 1.087 25.680 15.356 1.00 10.64 C ATOM 281 O GLY A 19 -0.151 25.832 15.648 1.00 11.73 O ATOM 282 HA3 GLY A 19 1.624 27.446 16.448 1.00 0.00 H ATOM 283 HA2 GLY A 19 2.299 25.937 17.107 1.00 0.00 H ATOM 284 H GLY A 19 4.004 25.972 15.587 1.00 0.00 H ATOM 285 N ARG A 20 1.516 25.071 14.296 1.00 8.89 N ATOM 286 CA ARG A 20 0.612 24.181 13.488 1.00 11.70 C ATOM 287 C ARG A 20 0.225 22.887 14.227 1.00 12.95 C ATOM 288 O ARG A 20 0.772 22.439 15.243 1.00 13.65 O ATOM 289 CB ARG A 20 1.217 23.846 12.178 1.00 11.78 C ATOM 290 CG ARG A 20 0.526 23.772 10.874 1.00 17.66 C ATOM 291 CD ARG A 20 1.384 24.385 9.790 1.00 20.42 C ATOM 292 NE ARG A 20 1.681 25.758 10.203 1.00 22.66 N ATOM 293 CZ ARG A 20 2.434 26.541 9.414 1.00 25.67 C ATOM 294 NH1 ARG A 20 2.840 26.141 8.217 1.00 27.51 N ATOM 295 NH2 ARG A 20 3.163 27.510 10.016 1.00 26.58 N ATOM 296 HA ARG A 20 -0.302 24.753 13.328 1.00 0.00 H ATOM 297 HB2 ARG A 20 2.007 24.583 12.036 1.00 0.00 H ATOM 298 HB3 ARG A 20 1.662 22.861 12.317 1.00 0.00 H ATOM 299 HG2 ARG A 20 0.329 22.728 10.630 1.00 0.00 H ATOM 300 HG3 ARG A 20 -0.418 24.314 10.936 1.00 0.00 H ATOM 301 HD2 ARG A 20 0.845 24.387 8.842 1.00 0.00 H ATOM 302 HD3 ARG A 20 2.309 23.819 9.679 1.00 0.00 H ATOM 303 HE ARG A 20 1.311 26.125 11.103 1.00 0.00 H ATOM 304 HH12 ARG A 20 3.423 26.770 7.628 1.00 0.00 H ATOM 305 HH11 ARG A 20 2.576 25.198 7.867 1.00 0.00 H ATOM 306 HH22 ARG A 20 3.761 28.141 9.445 1.00 0.00 H ATOM 307 HH21 ARG A 20 3.125 27.624 11.049 1.00 0.00 H ATOM 308 H ARG A 20 2.504 25.200 13.998 1.00 0.00 H ATOM 309 N THR A 21 -0.797 22.158 13.729 1.00 12.46 N ATOM 310 CA THR A 21 -1.160 20.921 14.466 1.00 12.32 C ATOM 311 C THR A 21 -0.602 19.752 13.626 1.00 12.33 C ATOM 312 O THR A 21 -0.526 19.959 12.434 1.00 12.50 O ATOM 313 CB THR A 21 -2.683 20.703 14.758 1.00 14.86 C ATOM 314 OG1 THR A 21 -3.113 21.761 15.660 1.00 11.04 O ATOM 315 CG2 THR A 21 -2.948 19.337 15.488 1.00 13.47 C ATOM 316 HA THR A 21 -0.731 20.995 15.465 1.00 0.00 H ATOM 317 HB THR A 21 -3.220 20.706 13.810 1.00 0.00 H ATOM 318 HG1 THR A 21 -2.589 21.711 16.499 1.00 0.00 H ATOM 319 HG23 THR A 21 -2.638 18.515 14.842 1.00 0.00 H ATOM 320 HG21 THR A 21 -2.378 19.306 16.417 1.00 0.00 H ATOM 321 HG22 THR A 21 -4.011 19.245 15.710 1.00 0.00 H ATOM 322 H THR A 21 -1.306 22.449 12.870 1.00 0.00 H ATOM 323 N CYS A 22 -0.166 18.698 14.296 1.00 12.68 N ATOM 324 CA CYS A 22 0.451 17.549 13.604 1.00 11.81 C ATOM 325 C CYS A 22 -0.644 16.738 12.944 1.00 12.22 C ATOM 326 O CYS A 22 -1.806 16.671 13.400 1.00 13.30 O ATOM 327 CB CYS A 22 1.226 16.698 14.630 1.00 12.16 C ATOM 328 SG CYS A 22 2.715 17.425 15.373 1.00 11.11 S ATOM 329 HA CYS A 22 1.150 17.888 12.839 1.00 0.00 H ATOM 330 HB2 CYS A 22 1.527 15.778 14.129 1.00 0.00 H ATOM 331 HB3 CYS A 22 0.539 16.460 15.442 1.00 0.00 H ATOM 332 H CYS A 22 -0.260 18.678 15.332 1.00 0.00 H ATOM 333 N GLN A 23 -0.285 16.216 11.783 1.00 12.59 N ATOM 334 CA GLN A 23 -1.258 15.294 11.110 1.00 12.88 C ATOM 335 C GLN A 23 -0.975 13.947 11.774 1.00 11.32 C ATOM 336 O GLN A 23 0.176 13.664 12.191 1.00 11.24 O ATOM 337 CB GLN A 23 -1.156 15.312 9.613 1.00 12.14 C ATOM 338 CG GLN A 23 -1.701 14.130 8.799 1.00 9.76 C ATOM 339 CD GLN A 23 -1.143 14.208 7.403 1.00 11.56 C ATOM 340 OE1 GLN A 23 -0.913 15.295 6.839 1.00 13.66 O ATOM 341 NE2 GLN A 23 -0.837 13.046 6.831 1.00 11.55 N ATOM 342 HA GLN A 23 -2.299 15.588 11.242 1.00 0.00 H ATOM 343 HB2 GLN A 23 -1.684 16.202 9.271 1.00 0.00 H ATOM 344 HB3 GLN A 23 -0.098 15.403 9.369 1.00 0.00 H ATOM 345 HG2 GLN A 23 -1.397 13.192 9.264 1.00 0.00 H ATOM 346 HG3 GLN A 23 -2.789 14.180 8.763 1.00 0.00 H ATOM 347 HE22 GLN A 23 -1.040 12.154 7.325 1.00 0.00 H ATOM 348 HE21 GLN A 23 -0.394 13.030 5.890 1.00 0.00 H ATOM 349 H GLN A 23 0.636 16.436 11.353 1.00 0.00 H ATOM 350 N SER A 24 -2.004 13.121 11.894 1.00 10.39 N ATOM 351 CA SER A 24 -1.864 11.751 12.403 1.00 7.86 C ATOM 352 C SER A 24 -1.071 10.913 11.401 1.00 7.07 C ATOM 353 O SER A 24 -1.206 10.994 10.181 1.00 7.97 O ATOM 354 CB SER A 24 -3.279 11.181 12.520 1.00 12.08 C ATOM 355 OG SER A 24 -3.738 11.729 13.713 1.00 13.57 O ATOM 356 HA SER A 24 -1.345 11.738 13.361 1.00 0.00 H ATOM 357 HB2 SER A 24 -3.261 10.092 12.570 1.00 0.00 H ATOM 358 HB3 SER A 24 -3.899 11.495 11.680 1.00 0.00 H ATOM 359 HG SER A 24 -4.662 11.417 13.884 1.00 0.00 H ATOM 360 H SER A 24 -2.949 13.456 11.617 1.00 0.00 H ATOM 361 N TRP A 25 -0.117 10.129 11.987 1.00 7.79 N ATOM 362 CA TRP A 25 0.724 9.274 11.083 1.00 8.67 C ATOM 363 C TRP A 25 -0.042 8.289 10.233 1.00 10.34 C ATOM 364 O TRP A 25 0.351 7.972 9.117 1.00 11.77 O ATOM 365 CB TRP A 25 1.621 8.521 12.083 1.00 10.62 C ATOM 366 CG TRP A 25 2.454 9.470 12.875 1.00 7.83 C ATOM 367 CD1 TRP A 25 2.231 9.858 14.149 1.00 8.85 C ATOM 368 CD2 TRP A 25 3.640 10.134 12.396 1.00 10.53 C ATOM 369 NE1 TRP A 25 3.293 10.675 14.539 1.00 13.04 N ATOM 370 CE2 TRP A 25 4.120 10.879 13.470 1.00 8.79 C ATOM 371 CE3 TRP A 25 4.287 10.190 11.157 1.00 10.25 C ATOM 372 CZ2 TRP A 25 5.210 11.731 13.352 1.00 10.58 C ATOM 373 CZ3 TRP A 25 5.437 11.007 11.075 1.00 13.07 C ATOM 374 CH2 TRP A 25 5.850 11.815 12.137 1.00 6.57 C ATOM 375 HA TRP A 25 1.243 9.887 10.346 1.00 0.00 H ATOM 376 HB2 TRP A 25 0.992 7.946 12.763 1.00 0.00 H ATOM 377 HB3 TRP A 25 2.276 7.844 11.535 1.00 0.00 H ATOM 378 HE1 TRP A 25 3.433 11.067 15.492 1.00 0.00 H ATOM 379 HD1 TRP A 25 1.374 9.582 14.763 1.00 0.00 H ATOM 380 HZ2 TRP A 25 5.551 12.320 14.203 1.00 0.00 H ATOM 381 HH2 TRP A 25 6.678 12.511 12.003 1.00 0.00 H ATOM 382 HZ3 TRP A 25 6.020 11.007 10.154 1.00 0.00 H ATOM 383 HE3 TRP A 25 3.922 9.630 10.296 1.00 0.00 H ATOM 384 H TRP A 25 0.021 10.125 13.018 1.00 0.00 H ATOM 385 N SER A 26 -1.158 7.730 10.786 1.00 9.83 N ATOM 386 CA SER A 26 -2.024 6.826 10.024 1.00 12.71 C ATOM 387 C SER A 26 -2.793 7.550 8.942 1.00 13.73 C ATOM 388 O SER A 26 -3.188 6.882 7.948 1.00 13.14 O ATOM 389 CB SER A 26 -2.954 5.988 10.908 1.00 12.46 C ATOM 390 OG SER A 26 -3.787 6.831 11.642 1.00 13.31 O ATOM 391 HA SER A 26 -1.351 6.122 9.535 1.00 0.00 H ATOM 392 HB2 SER A 26 -2.358 5.383 11.591 1.00 0.00 H ATOM 393 HB3 SER A 26 -3.560 5.335 10.280 1.00 0.00 H ATOM 394 HG SER A 26 -4.329 7.380 11.021 1.00 0.00 H ATOM 395 H SER A 26 -1.400 7.951 11.773 1.00 0.00 H ATOM 396 N SER A 27 -2.926 8.885 9.063 1.00 15.00 N ATOM 397 CA SER A 27 -3.585 9.684 8.028 1.00 13.94 C ATOM 398 C SER A 27 -2.703 10.048 6.827 1.00 16.12 C ATOM 399 O SER A 27 -1.527 10.444 6.876 1.00 16.89 O ATOM 400 CB SER A 27 -4.160 11.004 8.569 1.00 12.96 C ATOM 401 OG SER A 27 -5.087 11.553 7.649 1.00 11.70 O ATOM 402 HA SER A 27 -4.377 9.015 7.693 1.00 0.00 H ATOM 403 HB2 SER A 27 -3.347 11.713 8.726 1.00 0.00 H ATOM 404 HB3 SER A 27 -4.664 10.815 9.517 1.00 0.00 H ATOM 405 HG SER A 27 -5.447 12.401 8.012 1.00 0.00 H ATOM 406 H SER A 27 -2.552 9.359 9.910 1.00 0.00 H ATOM 407 N MET A 28 -3.369 9.950 5.663 1.00 16.09 N ATOM 408 CA MET A 28 -2.900 10.260 4.335 1.00 15.42 C ATOM 409 C MET A 28 -3.370 11.675 3.980 1.00 14.51 C ATOM 410 O MET A 28 -3.131 12.100 2.856 1.00 16.55 O ATOM 411 CB MET A 28 -3.337 9.273 3.230 1.00 15.74 C ATOM 412 CG MET A 28 -2.642 7.944 3.321 1.00 15.59 C ATOM 413 SD MET A 28 -0.810 8.095 3.200 1.00 12.99 S ATOM 414 CE MET A 28 -0.274 7.855 4.843 1.00 7.82 C ATOM 415 HA MET A 28 -1.814 10.178 4.366 1.00 0.00 H ATOM 416 HB2 MET A 28 -4.411 9.110 3.315 1.00 0.00 H ATOM 417 HB3 MET A 28 -3.113 9.716 2.260 1.00 0.00 H ATOM 418 HG2 MET A 28 -2.995 7.308 2.509 1.00 0.00 H ATOM 419 HG3 MET A 28 -2.893 7.483 4.276 1.00 0.00 H ATOM 420 HE1 MET A 28 -0.713 8.621 5.483 1.00 0.00 H ATOM 421 HE2 MET A 28 -0.588 6.869 5.186 1.00 0.00 H ATOM 422 HE3 MET A 28 0.813 7.926 4.883 1.00 0.00 H ATOM 423 H MET A 28 -4.348 9.606 5.729 1.00 0.00 H ATOM 424 N THR A 29 -4.059 12.340 4.851 1.00 14.02 N ATOM 425 CA THR A 29 -4.532 13.729 4.612 1.00 17.13 C ATOM 426 C THR A 29 -4.185 14.748 5.686 1.00 15.11 C ATOM 427 O THR A 29 -4.318 14.594 6.911 1.00 16.35 O ATOM 428 CB THR A 29 -6.105 13.796 4.351 1.00 18.32 C ATOM 429 OG1 THR A 29 -6.546 12.479 3.953 1.00 19.11 O ATOM 430 CG2 THR A 29 -6.429 14.885 3.322 1.00 18.53 C ATOM 431 HA THR A 29 -3.974 14.011 3.719 1.00 0.00 H ATOM 432 HB THR A 29 -6.646 14.076 5.255 1.00 0.00 H ATOM 433 HG1 THR A 29 -7.522 12.496 3.785 1.00 0.00 H ATOM 434 HG23 THR A 29 -6.069 15.847 3.687 1.00 0.00 H ATOM 435 HG21 THR A 29 -5.940 14.648 2.377 1.00 0.00 H ATOM 436 HG22 THR A 29 -7.508 14.932 3.172 1.00 0.00 H ATOM 437 H THR A 29 -4.291 11.883 5.756 1.00 0.00 H ATOM 438 N PRO A 30 -3.779 15.957 5.280 1.00 16.07 N ATOM 439 CA PRO A 30 -3.664 16.448 3.947 1.00 14.62 C ATOM 440 C PRO A 30 -2.450 15.980 3.176 1.00 15.13 C ATOM 441 O PRO A 30 -2.492 16.117 1.944 1.00 16.11 O ATOM 442 CB PRO A 30 -3.609 17.987 4.108 1.00 16.77 C ATOM 443 CG PRO A 30 -3.200 18.262 5.522 1.00 16.69 C ATOM 444 CD PRO A 30 -3.523 16.991 6.308 1.00 16.23 C ATOM 445 HA PRO A 30 -4.502 16.072 3.361 1.00 0.00 H ATOM 446 HD3 PRO A 30 -2.680 16.705 6.937 1.00 0.00 H ATOM 447 HD2 PRO A 30 -4.406 17.139 6.930 1.00 0.00 H ATOM 448 HG3 PRO A 30 -3.760 19.107 5.921 1.00 0.00 H ATOM 449 HG2 PRO A 30 -2.133 18.478 5.573 1.00 0.00 H ATOM 450 HB2 PRO A 30 -2.880 18.411 3.417 1.00 0.00 H ATOM 451 HB3 PRO A 30 -4.589 18.420 3.910 1.00 0.00 H ATOM 452 N HIS A 31 -1.436 15.498 3.932 1.00 12.99 N ATOM 453 CA HIS A 31 -0.248 15.054 3.208 1.00 12.89 C ATOM 454 C HIS A 31 -0.223 13.544 3.174 1.00 12.12 C ATOM 455 O HIS A 31 -0.274 12.871 4.239 1.00 13.30 O ATOM 456 CB HIS A 31 1.062 15.674 3.833 1.00 14.34 C ATOM 457 CG HIS A 31 0.937 17.160 4.088 1.00 16.10 C ATOM 458 ND1 HIS A 31 0.720 17.743 5.331 1.00 16.74 N ATOM 459 CD2 HIS A 31 1.112 18.197 3.220 1.00 15.93 C ATOM 460 CE1 HIS A 31 0.743 19.064 5.233 1.00 15.85 C ATOM 461 NE2 HIS A 31 0.930 19.361 3.958 1.00 16.95 N ATOM 462 HA HIS A 31 -0.287 15.412 2.179 1.00 0.00 H ATOM 463 HB2 HIS A 31 1.269 15.173 4.779 1.00 0.00 H ATOM 464 HB3 HIS A 31 1.891 15.506 3.145 1.00 0.00 H ATOM 465 HD2 HIS A 31 1.348 18.127 2.158 1.00 0.00 H ATOM 466 HE1 HIS A 31 0.629 19.774 6.052 1.00 0.00 H ATOM 467 H HIS A 31 -1.499 15.447 4.969 1.00 0.00 H ATOM 468 N ARG A 32 0.046 13.001 2.007 1.00 12.12 N ATOM 469 CA ARG A 32 0.237 11.545 1.736 1.00 13.10 C ATOM 470 C ARG A 32 1.782 11.235 1.951 1.00 14.47 C ATOM 471 O ARG A 32 2.635 12.009 1.494 1.00 11.63 O ATOM 472 CB ARG A 32 -0.238 11.131 0.423 1.00 12.65 C ATOM 473 CG ARG A 32 0.162 9.917 -0.380 1.00 11.33 C ATOM 474 CD ARG A 32 -0.069 10.158 -1.810 1.00 12.87 C ATOM 475 NE ARG A 32 0.760 9.607 -2.856 1.00 10.27 N ATOM 476 CZ ARG A 32 1.156 10.284 -3.933 1.00 10.03 C ATOM 477 NH1 ARG A 32 0.922 11.593 -4.096 1.00 12.30 N ATOM 478 NH2 ARG A 32 1.713 9.713 -4.996 1.00 13.17 N ATOM 479 HA ARG A 32 -0.373 10.961 2.425 1.00 0.00 H ATOM 480 HB2 ARG A 32 -1.318 11.039 0.539 1.00 0.00 H ATOM 481 HB3 ARG A 32 -0.014 11.976 -0.228 1.00 0.00 H ATOM 482 HG2 ARG A 32 1.219 9.708 -0.216 1.00 0.00 H ATOM 483 HG3 ARG A 32 -0.431 9.061 -0.058 1.00 0.00 H ATOM 484 HD2 ARG A 32 -0.032 11.240 -1.940 1.00 0.00 H ATOM 485 HD3 ARG A 32 -1.079 9.803 -2.013 1.00 0.00 H ATOM 486 HE ARG A 32 1.068 8.618 -2.763 1.00 0.00 H ATOM 487 HH12 ARG A 32 1.252 12.077 -4.955 1.00 0.00 H ATOM 488 HH11 ARG A 32 0.411 12.125 -3.363 1.00 0.00 H ATOM 489 HH22 ARG A 32 2.002 10.296 -5.808 1.00 0.00 H ATOM 490 HH21 ARG A 32 1.860 8.684 -5.016 1.00 0.00 H ATOM 491 H ARG A 32 0.134 13.646 1.196 1.00 0.00 H ATOM 492 N HIS A 33 1.996 10.099 2.583 1.00 15.52 N ATOM 493 CA HIS A 33 3.356 9.663 3.008 1.00 15.23 C ATOM 494 C HIS A 33 3.434 8.200 3.364 1.00 16.48 C ATOM 495 O HIS A 33 2.386 7.513 3.543 1.00 14.96 O ATOM 496 CB HIS A 33 3.800 10.474 4.267 1.00 11.77 C ATOM 497 CG HIS A 33 3.071 10.031 5.479 1.00 11.21 C ATOM 498 ND1 HIS A 33 1.919 10.592 5.928 1.00 13.73 N ATOM 499 CD2 HIS A 33 3.442 9.152 6.420 1.00 7.39 C ATOM 500 CE1 HIS A 33 1.571 10.005 7.075 1.00 12.09 C ATOM 501 NE2 HIS A 33 2.479 9.071 7.371 1.00 12.64 N ATOM 502 HA HIS A 33 4.008 9.842 2.153 1.00 0.00 H ATOM 503 HB2 HIS A 33 4.869 10.330 4.423 1.00 0.00 H ATOM 504 HB3 HIS A 33 3.598 11.532 4.098 1.00 0.00 H ATOM 505 HD2 HIS A 33 4.375 8.588 6.421 1.00 0.00 H ATOM 506 HE1 HIS A 33 0.692 10.248 7.671 1.00 0.00 H ATOM 507 H HIS A 33 1.185 9.483 2.793 1.00 0.00 H ATOM 508 N GLN A 34 4.674 7.788 3.640 1.00 16.79 N ATOM 509 CA GLN A 34 4.928 6.348 3.984 1.00 17.59 C ATOM 510 C GLN A 34 5.431 6.128 5.382 1.00 16.34 C ATOM 511 O GLN A 34 5.895 5.021 5.743 1.00 17.47 O ATOM 512 CB GLN A 34 5.855 5.667 2.951 1.00 19.96 C ATOM 513 CG GLN A 34 5.201 5.077 1.737 1.00 24.40 C ATOM 514 CD GLN A 34 3.885 4.376 1.902 1.00 30.35 C ATOM 515 OE1 GLN A 34 3.755 3.140 1.727 1.00 32.45 O ATOM 516 NE2 GLN A 34 2.767 5.082 2.151 1.00 30.35 N ATOM 517 HA GLN A 34 3.948 5.872 3.941 1.00 0.00 H ATOM 518 HB2 GLN A 34 6.572 6.413 2.609 1.00 0.00 H ATOM 519 HB3 GLN A 34 6.385 4.864 3.463 1.00 0.00 H ATOM 520 HG2 GLN A 34 5.046 5.890 1.028 1.00 0.00 H ATOM 521 HG3 GLN A 34 5.899 4.355 1.314 1.00 0.00 H ATOM 522 HE22 GLN A 34 2.824 6.109 2.303 1.00 0.00 H ATOM 523 HE21 GLN A 34 1.846 4.600 2.192 1.00 0.00 H ATOM 524 H GLN A 34 5.464 8.464 3.617 1.00 0.00 H ATOM 525 N ARG A 35 5.353 7.119 6.269 1.00 17.63 N ATOM 526 CA ARG A 35 5.827 6.891 7.639 1.00 16.71 C ATOM 527 C ARG A 35 4.577 6.558 8.482 1.00 14.69 C ATOM 528 O ARG A 35 4.233 7.401 9.326 1.00 14.12 O ATOM 529 CB ARG A 35 6.637 8.006 8.321 1.00 15.83 C ATOM 530 CG ARG A 35 7.474 8.773 7.357 1.00 17.91 C ATOM 531 CD ARG A 35 8.402 7.970 6.558 1.00 21.51 C ATOM 532 NE ARG A 35 9.176 8.752 5.593 1.00 22.43 N ATOM 533 CZ ARG A 35 9.998 9.746 5.976 1.00 24.77 C ATOM 534 NH1 ARG A 35 10.167 10.143 7.232 1.00 23.48 N ATOM 535 NH2 ARG A 35 10.741 10.337 5.032 1.00 24.05 N ATOM 536 HA ARG A 35 6.560 6.087 7.571 1.00 0.00 H ATOM 537 HB2 ARG A 35 5.945 8.693 8.808 1.00 0.00 H ATOM 538 HB3 ARG A 35 7.289 7.557 9.070 1.00 0.00 H ATOM 539 HG2 ARG A 35 6.806 9.297 6.673 1.00 0.00 H ATOM 540 HG3 ARG A 35 8.057 9.500 7.921 1.00 0.00 H ATOM 541 HD2 ARG A 35 7.828 7.221 6.013 1.00 0.00 H ATOM 542 HD3 ARG A 35 9.097 7.472 7.234 1.00 0.00 H ATOM 543 HE ARG A 35 9.088 8.533 4.580 1.00 0.00 H ATOM 544 HH12 ARG A 35 10.823 10.921 7.448 1.00 0.00 H ATOM 545 HH11 ARG A 35 9.644 9.676 8.000 1.00 0.00 H ATOM 546 HH22 ARG A 35 11.389 11.109 5.288 1.00 0.00 H ATOM 547 HH21 ARG A 35 10.670 10.024 4.043 1.00 0.00 H ATOM 548 H ARG A 35 4.961 8.042 5.994 1.00 0.00 H ATOM 549 N THR A 37 4.070 5.363 8.160 1.00 13.60 N ATOM 550 CA THR A 37 2.861 4.913 8.908 1.00 13.07 C ATOM 551 C THR A 37 3.220 3.958 10.028 1.00 11.02 C ATOM 552 O THR A 37 4.188 3.139 9.906 1.00 9.82 O ATOM 553 CB THR A 37 1.805 4.401 7.863 1.00 9.57 C ATOM 554 OG1 THR A 37 2.404 3.438 6.981 1.00 14.82 O ATOM 555 CG2 THR A 37 1.203 5.486 6.941 1.00 12.98 C ATOM 556 HA THR A 37 2.389 5.736 9.445 1.00 0.00 H ATOM 557 HB THR A 37 1.008 3.994 8.485 1.00 0.00 H ATOM 558 HG1 THR A 37 1.728 3.124 6.329 1.00 0.00 H ATOM 559 HG23 THR A 37 0.728 6.255 7.550 1.00 0.00 H ATOM 560 HG21 THR A 37 1.996 5.933 6.342 1.00 0.00 H ATOM 561 HG22 THR A 37 0.462 5.032 6.284 1.00 0.00 H ATOM 562 H THR A 37 4.500 4.773 7.420 1.00 0.00 H ATOM 563 N PRO A 38 2.413 3.897 11.078 1.00 10.62 N ATOM 564 CA PRO A 38 2.593 2.915 12.114 1.00 11.07 C ATOM 565 C PRO A 38 2.645 1.536 11.431 1.00 12.47 C ATOM 566 O PRO A 38 3.314 0.625 11.982 1.00 16.05 O ATOM 567 CB PRO A 38 1.437 3.019 13.066 1.00 9.59 C ATOM 568 CG PRO A 38 0.451 3.869 12.362 1.00 10.26 C ATOM 569 CD PRO A 38 1.179 4.695 11.336 1.00 9.12 C ATOM 570 HA PRO A 38 3.512 3.068 12.679 1.00 0.00 H ATOM 571 HD3 PRO A 38 0.586 4.805 10.428 1.00 0.00 H ATOM 572 HD2 PRO A 38 1.425 5.681 11.729 1.00 0.00 H ATOM 573 HG3 PRO A 38 -0.046 4.525 13.077 1.00 0.00 H ATOM 574 HG2 PRO A 38 -0.291 3.241 11.869 1.00 0.00 H ATOM 575 HB2 PRO A 38 1.019 2.034 13.273 1.00 0.00 H ATOM 576 HB3 PRO A 38 1.749 3.484 14.001 1.00 0.00 H ATOM 577 N GLU A 39 2.016 1.495 10.264 1.00 13.81 N ATOM 578 CA GLU A 39 1.974 0.243 9.483 1.00 14.52 C ATOM 579 C GLU A 39 3.365 -0.151 9.010 1.00 14.56 C ATOM 580 O GLU A 39 3.767 -1.323 9.033 1.00 13.30 O ATOM 581 CB GLU A 39 0.966 0.362 8.342 1.00 16.99 C ATOM 582 CG GLU A 39 -0.475 0.519 8.829 1.00 25.68 C ATOM 583 CD GLU A 39 -1.276 1.734 8.621 1.00 29.60 C ATOM 584 OE1 GLU A 39 -0.868 2.888 8.525 1.00 34.98 O ATOM 585 OE2 GLU A 39 -2.553 1.506 8.692 1.00 35.97 O ATOM 586 HA GLU A 39 1.630 -0.567 10.126 1.00 0.00 H ATOM 587 HB2 GLU A 39 1.225 1.232 7.739 1.00 0.00 H ATOM 588 HB3 GLU A 39 1.029 -0.536 7.728 1.00 0.00 H ATOM 589 HG2 GLU A 39 -1.036 -0.291 8.363 1.00 0.00 H ATOM 590 HG3 GLU A 39 -0.443 0.364 9.908 1.00 0.00 H ATOM 591 H GLU A 39 1.550 2.349 9.897 1.00 0.00 H ATOM 592 N ASN A 40 4.134 0.829 8.553 1.00 13.93 N ATOM 593 CA ASN A 40 5.466 0.530 8.009 1.00 14.88 C ATOM 594 C ASN A 40 6.568 0.619 9.064 1.00 15.10 C ATOM 595 O ASN A 40 7.641 0.081 8.854 1.00 14.05 O ATOM 596 CB ASN A 40 5.766 1.361 6.789 1.00 17.07 C ATOM 597 CG ASN A 40 4.802 1.348 5.640 1.00 17.60 C ATOM 598 OD1 ASN A 40 4.363 0.274 5.212 1.00 14.07 O ATOM 599 ND2 ASN A 40 4.664 2.554 5.038 1.00 14.87 N ATOM 600 HA ASN A 40 5.448 -0.512 7.688 1.00 0.00 H ATOM 601 HB2 ASN A 40 5.852 2.396 7.121 1.00 0.00 H ATOM 602 HB3 ASN A 40 6.728 1.024 6.402 1.00 0.00 H ATOM 603 HD22 ASN A 40 5.070 3.404 5.478 1.00 0.00 H ATOM 604 HD21 ASN A 40 4.152 2.629 4.136 1.00 0.00 H ATOM 605 H ASN A 40 3.793 1.811 8.580 1.00 0.00 H ATOM 606 N TYR A 41 6.354 1.306 10.142 1.00 15.89 N ATOM 607 CA TYR A 41 7.263 1.536 11.269 1.00 13.56 C ATOM 608 C TYR A 41 6.526 1.235 12.570 1.00 13.83 C ATOM 609 O TYR A 41 6.265 2.158 13.320 1.00 13.20 O ATOM 610 CB TYR A 41 7.679 2.993 11.313 1.00 12.87 C ATOM 611 CG TYR A 41 8.344 3.544 10.103 1.00 14.34 C ATOM 612 CD1 TYR A 41 7.678 3.965 8.971 1.00 14.06 C ATOM 613 CD2 TYR A 41 9.747 3.610 10.137 1.00 20.40 C ATOM 614 CE1 TYR A 41 8.342 4.426 7.847 1.00 21.49 C ATOM 615 CE2 TYR A 41 10.449 4.100 9.028 1.00 22.34 C ATOM 616 CZ TYR A 41 9.734 4.476 7.899 1.00 22.29 C ATOM 617 OH TYR A 41 10.498 4.915 6.844 1.00 29.15 O ATOM 618 HA TYR A 41 8.137 0.896 11.150 1.00 0.00 H ATOM 619 HB3 TYR A 41 8.367 3.113 12.150 1.00 0.00 H ATOM 620 HB2 TYR A 41 6.782 3.586 11.494 1.00 0.00 H ATOM 621 HD2 TYR A 41 10.288 3.281 11.024 1.00 0.00 H ATOM 622 HE2 TYR A 41 11.535 4.184 9.051 1.00 0.00 H ATOM 623 HE1 TYR A 41 7.797 4.738 6.956 1.00 0.00 H ATOM 624 HD1 TYR A 41 6.588 3.934 8.961 1.00 0.00 H ATOM 625 HH TYR A 41 11.022 5.707 7.124 1.00 0.00 H ATOM 626 H TYR A 41 5.417 1.751 10.217 1.00 0.00 H ATOM 627 N PRO A 42 6.203 -0.042 12.743 1.00 15.19 N ATOM 628 CA PRO A 42 5.420 -0.500 13.887 1.00 14.59 C ATOM 629 C PRO A 42 6.089 -0.306 15.210 1.00 13.59 C ATOM 630 O PRO A 42 5.456 -0.387 16.213 1.00 10.57 O ATOM 631 CB PRO A 42 5.150 -1.998 13.622 1.00 15.80 C ATOM 632 CG PRO A 42 5.453 -2.175 12.151 1.00 17.38 C ATOM 633 CD PRO A 42 6.506 -1.120 11.790 1.00 15.25 C ATOM 634 HA PRO A 42 4.509 0.093 13.966 1.00 0.00 H ATOM 635 HD3 PRO A 42 7.516 -1.503 11.934 1.00 0.00 H ATOM 636 HD2 PRO A 42 6.391 -0.782 10.760 1.00 0.00 H ATOM 637 HG3 PRO A 42 4.550 -2.023 11.560 1.00 0.00 H ATOM 638 HG2 PRO A 42 5.843 -3.176 11.965 1.00 0.00 H ATOM 639 HB2 PRO A 42 5.805 -2.623 14.230 1.00 0.00 H ATOM 640 HB3 PRO A 42 4.111 -2.248 13.836 1.00 0.00 H ATOM 641 N ASN A 43 7.391 0.081 15.170 1.00 15.70 N ATOM 642 CA ASN A 43 8.178 0.228 16.382 1.00 14.86 C ATOM 643 C ASN A 43 8.681 1.647 16.574 1.00 15.59 C ATOM 644 O ASN A 43 9.492 1.845 17.525 1.00 18.18 O ATOM 645 CB ASN A 43 9.256 -0.890 16.385 1.00 18.02 C ATOM 646 CG ASN A 43 8.923 -2.252 15.805 1.00 20.70 C ATOM 647 OD1 ASN A 43 7.978 -2.963 16.170 1.00 19.49 O ATOM 648 ND2 ASN A 43 9.779 -2.844 14.946 1.00 21.51 N ATOM 649 HA ASN A 43 7.567 0.084 17.273 1.00 0.00 H ATOM 650 HB2 ASN A 43 10.111 -0.508 15.827 1.00 0.00 H ATOM 651 HB3 ASN A 43 9.544 -1.050 17.424 1.00 0.00 H ATOM 652 HD22 ASN A 43 10.602 -2.319 14.588 1.00 0.00 H ATOM 653 HD21 ASN A 43 9.615 -3.825 14.642 1.00 0.00 H ATOM 654 H ASN A 43 7.834 0.277 14.250 1.00 0.00 H ATOM 655 N ASP A 44 8.066 2.690 15.975 1.00 15.19 N ATOM 656 CA ASP A 44 8.627 4.062 16.169 1.00 15.37 C ATOM 657 C ASP A 44 7.622 4.946 16.905 1.00 17.01 C ATOM 658 O ASP A 44 7.782 6.184 16.897 1.00 18.30 O ATOM 659 CB ASP A 44 9.121 4.757 14.919 1.00 18.89 C ATOM 660 CG ASP A 44 10.090 3.931 14.069 1.00 21.75 C ATOM 661 OD1 ASP A 44 11.206 3.748 14.611 1.00 24.64 O ATOM 662 OD2 ASP A 44 9.797 3.416 12.988 1.00 23.06 O ATOM 663 HA ASP A 44 9.523 3.909 16.770 1.00 0.00 H ATOM 664 HB2 ASP A 44 8.256 5.005 14.304 1.00 0.00 H ATOM 665 HB3 ASP A 44 9.628 5.674 15.218 1.00 0.00 H ATOM 666 H ASP A 44 7.219 2.541 15.390 1.00 0.00 H ATOM 667 N GLY A 45 6.634 4.270 17.456 1.00 16.41 N ATOM 668 CA GLY A 45 5.594 4.937 18.236 1.00 15.71 C ATOM 669 C GLY A 45 4.798 5.953 17.391 1.00 13.24 C ATOM 670 O GLY A 45 4.417 6.956 18.023 1.00 16.70 O ATOM 671 HA3 GLY A 45 6.061 5.462 19.069 1.00 0.00 H ATOM 672 HA2 GLY A 45 4.906 4.185 18.622 1.00 0.00 H ATOM 673 H GLY A 45 6.594 3.238 17.333 1.00 0.00 H ATOM 674 N LEU A 46 4.437 5.614 16.182 1.00 12.09 N ATOM 675 CA LEU A 46 3.653 6.492 15.318 1.00 10.36 C ATOM 676 C LEU A 46 2.170 6.513 15.786 1.00 9.33 C ATOM 677 O LEU A 46 1.292 6.225 14.981 1.00 8.09 O ATOM 678 CB LEU A 46 3.978 5.992 13.934 1.00 13.61 C ATOM 679 CG LEU A 46 5.134 6.651 13.193 1.00 18.58 C ATOM 680 CD1 LEU A 46 6.189 7.113 14.224 1.00 17.52 C ATOM 681 CD2 LEU A 46 5.666 5.724 12.125 1.00 15.62 C ATOM 682 HA LEU A 46 3.886 7.556 15.348 1.00 0.00 H ATOM 683 HB2 LEU A 46 4.209 4.930 14.018 1.00 0.00 H ATOM 684 HB3 LEU A 46 3.084 6.121 13.323 1.00 0.00 H ATOM 685 HG LEU A 46 4.805 7.543 12.660 1.00 0.00 H ATOM 686 HD21 LEU A 46 6.018 4.802 12.588 1.00 0.00 H ATOM 687 HD22 LEU A 46 4.871 5.495 11.415 1.00 0.00 H ATOM 688 HD23 LEU A 46 6.492 6.208 11.604 1.00 0.00 H ATOM 689 HD11 LEU A 46 5.735 7.827 14.911 1.00 0.00 H ATOM 690 HD12 LEU A 46 6.552 6.250 14.782 1.00 0.00 H ATOM 691 HD13 LEU A 46 7.021 7.586 13.703 1.00 0.00 H ATOM 692 H LEU A 46 4.720 4.681 15.820 1.00 0.00 H ATOM 693 N THR A 47 1.944 6.775 17.018 1.00 10.83 N ATOM 694 CA THR A 47 0.647 6.861 17.754 1.00 14.84 C ATOM 695 C THR A 47 -0.042 8.216 17.599 1.00 16.89 C ATOM 696 O THR A 47 0.619 9.239 17.911 1.00 16.92 O ATOM 697 CB THR A 47 0.760 6.547 19.296 1.00 14.65 C ATOM 698 OG1 THR A 47 1.443 5.250 19.416 1.00 17.54 O ATOM 699 CG2 THR A 47 -0.612 6.494 20.031 1.00 16.19 C ATOM 700 HA THR A 47 0.045 6.085 17.282 1.00 0.00 H ATOM 701 HB THR A 47 1.311 7.356 19.775 1.00 0.00 H ATOM 702 HG1 THR A 47 1.535 5.014 20.373 1.00 0.00 H ATOM 703 HG23 THR A 47 -1.111 7.459 19.937 1.00 0.00 H ATOM 704 HG21 THR A 47 -1.233 5.718 19.584 1.00 0.00 H ATOM 705 HG22 THR A 47 -0.450 6.269 21.085 1.00 0.00 H ATOM 706 H THR A 47 2.791 6.955 17.594 1.00 0.00 H ATOM 707 N MET A 48 -1.326 8.196 17.288 1.00 14.53 N ATOM 708 CA MET A 48 -2.207 9.364 17.057 1.00 13.06 C ATOM 709 C MET A 48 -1.472 10.384 16.185 1.00 10.87 C ATOM 710 O MET A 48 -1.036 9.995 15.089 1.00 10.20 O ATOM 711 CB MET A 48 -2.871 9.943 18.308 1.00 15.84 C ATOM 712 CG MET A 48 -4.119 9.183 18.777 1.00 7.14 C ATOM 713 SD MET A 48 -4.267 9.519 20.562 1.00 16.30 S ATOM 714 CE MET A 48 -5.969 9.298 21.040 1.00 13.54 C ATOM 715 HA MET A 48 -3.081 9.015 16.507 1.00 0.00 H ATOM 716 HB2 MET A 48 -2.141 9.931 19.117 1.00 0.00 H ATOM 717 HB3 MET A 48 -3.159 10.972 18.095 1.00 0.00 H ATOM 718 HG2 MET A 48 -4.001 8.114 18.601 1.00 0.00 H ATOM 719 HG3 MET A 48 -5.002 9.542 18.249 1.00 0.00 H ATOM 720 HE1 MET A 48 -6.596 9.990 20.477 1.00 0.00 H ATOM 721 HE2 MET A 48 -6.275 8.274 20.827 1.00 0.00 H ATOM 722 HE3 MET A 48 -6.074 9.496 22.107 1.00 0.00 H ATOM 723 H MET A 48 -1.766 7.258 17.195 1.00 0.00 H ATOM 724 N ASN A 49 -1.282 11.599 16.645 1.00 11.06 N ATOM 725 CA ASN A 49 -0.550 12.630 15.815 1.00 10.99 C ATOM 726 C ASN A 49 0.631 13.198 16.616 1.00 10.76 C ATOM 727 O ASN A 49 0.906 14.400 16.479 1.00 10.23 O ATOM 728 CB ASN A 49 -1.441 13.794 15.418 1.00 9.28 C ATOM 729 CG ASN A 49 -2.114 14.554 16.548 1.00 5.39 C ATOM 730 OD1 ASN A 49 -2.502 15.779 16.276 1.00 14.13 O ATOM 731 ND2 ASN A 49 -2.296 14.005 17.719 1.00 6.05 N ATOM 732 HA ASN A 49 -0.213 12.122 14.911 1.00 0.00 H ATOM 733 HB2 ASN A 49 -0.829 14.503 14.861 1.00 0.00 H ATOM 734 HB3 ASN A 49 -2.225 13.404 14.769 1.00 0.00 H ATOM 735 HD22 ASN A 49 -1.973 13.032 17.893 1.00 0.00 H ATOM 736 HD21 ASN A 49 -2.764 14.541 18.478 1.00 0.00 H ATOM 737 H ASN A 49 -1.638 11.855 17.588 1.00 0.00 H ATOM 738 N TYR A 50 1.178 12.319 17.461 1.00 11.34 N ATOM 739 CA TYR A 50 2.242 12.697 18.401 1.00 9.83 C ATOM 740 C TYR A 50 3.497 13.033 17.618 1.00 8.25 C ATOM 741 O TYR A 50 3.797 12.431 16.552 1.00 10.55 O ATOM 742 CB TYR A 50 2.401 11.516 19.368 1.00 12.74 C ATOM 743 CG TYR A 50 1.269 11.332 20.335 1.00 17.81 C ATOM 744 CD1 TYR A 50 0.333 12.396 20.503 1.00 18.59 C ATOM 745 CD2 TYR A 50 1.120 10.202 21.158 1.00 11.42 C ATOM 746 CE1 TYR A 50 -0.757 12.279 21.349 1.00 17.03 C ATOM 747 CE2 TYR A 50 0.024 10.094 22.011 1.00 18.21 C ATOM 748 CZ TYR A 50 -0.960 11.100 22.065 1.00 17.00 C ATOM 749 OH TYR A 50 -1.973 10.998 22.976 1.00 15.84 O ATOM 750 HA TYR A 50 2.013 13.589 18.984 1.00 0.00 H ATOM 751 HB3 TYR A 50 3.315 11.669 19.942 1.00 0.00 H ATOM 752 HB2 TYR A 50 2.493 10.605 18.777 1.00 0.00 H ATOM 753 HD2 TYR A 50 1.865 9.407 21.129 1.00 0.00 H ATOM 754 HE2 TYR A 50 -0.074 9.215 22.648 1.00 0.00 H ATOM 755 HE1 TYR A 50 -1.456 13.108 21.455 1.00 0.00 H ATOM 756 HD1 TYR A 50 0.480 13.325 19.951 1.00 0.00 H ATOM 757 HH TYR A 50 -2.576 11.778 22.886 1.00 0.00 H ATOM 758 H TYR A 50 0.840 11.336 17.453 1.00 0.00 H ATOM 759 N CYS A 51 4.247 13.968 18.133 1.00 9.36 N ATOM 760 CA CYS A 51 5.528 14.384 17.546 1.00 9.93 C ATOM 761 C CYS A 51 6.467 13.147 17.703 1.00 7.84 C ATOM 762 O CYS A 51 6.462 12.715 18.819 1.00 6.32 O ATOM 763 CB CYS A 51 6.217 15.525 18.335 1.00 12.54 C ATOM 764 SG CYS A 51 5.278 17.074 18.229 1.00 14.17 S ATOM 765 HA CYS A 51 5.352 14.726 16.526 1.00 0.00 H ATOM 766 HB2 CYS A 51 7.214 15.687 17.925 1.00 0.00 H ATOM 767 HB3 CYS A 51 6.299 15.232 19.382 1.00 0.00 H ATOM 768 H CYS A 51 3.923 14.441 19.000 1.00 0.00 H ATOM 769 N ARG A 52 7.170 12.803 16.644 1.00 11.36 N ATOM 770 CA ARG A 52 8.057 11.604 16.691 1.00 11.66 C ATOM 771 C ARG A 52 9.258 11.844 15.800 1.00 11.53 C ATOM 772 O ARG A 52 9.315 12.907 15.184 1.00 12.14 O ATOM 773 CB ARG A 52 7.195 10.414 16.201 1.00 11.68 C ATOM 774 CG ARG A 52 6.163 10.043 17.294 1.00 13.15 C ATOM 775 CD ARG A 52 6.682 9.227 18.398 1.00 8.12 C ATOM 776 NE ARG A 52 5.875 9.107 19.565 1.00 12.82 N ATOM 777 CZ ARG A 52 5.426 9.750 20.607 1.00 11.92 C ATOM 778 NH1 ARG A 52 5.767 11.012 20.922 1.00 16.35 N ATOM 779 NH2 ARG A 52 4.504 9.258 21.454 1.00 14.11 N ATOM 780 HA ARG A 52 8.439 11.397 17.691 1.00 0.00 H ATOM 781 HB2 ARG A 52 6.672 10.695 15.287 1.00 0.00 H ATOM 782 HB3 ARG A 52 7.838 9.557 16.001 1.00 0.00 H ATOM 783 HG2 ARG A 52 5.771 10.969 17.715 1.00 0.00 H ATOM 784 HG3 ARG A 52 5.353 9.490 16.818 1.00 0.00 H ATOM 785 HD2 ARG A 52 7.635 9.659 18.703 1.00 0.00 H ATOM 786 HD3 ARG A 52 6.848 8.222 18.011 1.00 0.00 H ATOM 787 HE ARG A 52 5.501 8.137 19.600 1.00 0.00 H ATOM 788 HH12 ARG A 52 5.368 11.462 21.771 1.00 0.00 H ATOM 789 HH11 ARG A 52 6.429 11.538 20.317 1.00 0.00 H ATOM 790 HH22 ARG A 52 4.190 9.825 22.267 1.00 0.00 H ATOM 791 HH21 ARG A 52 4.106 8.310 21.296 1.00 0.00 H ATOM 792 H ARG A 52 7.107 13.368 15.773 1.00 0.00 H ATOM 793 N ASN A 53 10.149 10.918 15.637 1.00 13.65 N ATOM 794 CA ASN A 53 11.323 11.076 14.739 1.00 15.31 C ATOM 795 C ASN A 53 11.732 9.703 14.174 1.00 15.83 C ATOM 796 O ASN A 53 12.738 9.189 14.685 1.00 17.75 O ATOM 797 CB ASN A 53 12.427 11.739 15.547 1.00 11.51 C ATOM 798 CG ASN A 53 13.755 11.931 14.830 1.00 10.91 C ATOM 799 OD1 ASN A 53 13.813 11.972 13.608 1.00 11.94 O ATOM 800 ND2 ASN A 53 14.795 12.145 15.640 1.00 11.65 N ATOM 801 HA ASN A 53 11.097 11.705 13.878 1.00 0.00 H ATOM 802 HB2 ASN A 53 12.070 12.721 15.857 1.00 0.00 H ATOM 803 HB3 ASN A 53 12.610 11.125 16.429 1.00 0.00 H ATOM 804 HD22 ASN A 53 14.670 12.093 16.671 1.00 0.00 H ATOM 805 HD21 ASN A 53 15.730 12.363 15.240 1.00 0.00 H ATOM 806 H ASN A 53 10.038 10.024 16.157 1.00 0.00 H ATOM 807 N PRO A 54 10.922 9.165 13.289 1.00 16.49 N ATOM 808 CA PRO A 54 11.101 7.840 12.734 1.00 17.51 C ATOM 809 C PRO A 54 12.222 7.728 11.706 1.00 18.37 C ATOM 810 O PRO A 54 12.543 6.597 11.331 1.00 21.05 O ATOM 811 CB PRO A 54 9.781 7.462 12.044 1.00 17.99 C ATOM 812 CG PRO A 54 9.036 8.751 11.908 1.00 17.79 C ATOM 813 CD PRO A 54 9.700 9.803 12.758 1.00 17.08 C ATOM 814 HA PRO A 54 11.376 7.178 13.555 1.00 0.00 H ATOM 815 HD3 PRO A 54 9.956 10.675 12.156 1.00 0.00 H ATOM 816 HD2 PRO A 54 9.043 10.106 13.573 1.00 0.00 H ATOM 817 HG3 PRO A 54 8.006 8.613 12.238 1.00 0.00 H ATOM 818 HG2 PRO A 54 9.043 9.068 10.865 1.00 0.00 H ATOM 819 HB2 PRO A 54 9.972 7.024 11.064 1.00 0.00 H ATOM 820 HB3 PRO A 54 9.218 6.755 12.654 1.00 0.00 H ATOM 821 N ASP A 55 12.716 8.854 11.242 1.00 18.70 N ATOM 822 CA ASP A 55 13.758 8.986 10.237 1.00 15.56 C ATOM 823 C ASP A 55 15.067 9.530 10.803 1.00 14.49 C ATOM 824 O ASP A 55 15.843 10.003 9.955 1.00 14.77 O ATOM 825 CB ASP A 55 13.228 9.860 9.082 1.00 17.31 C ATOM 826 CG ASP A 55 12.949 11.287 9.535 1.00 19.50 C ATOM 827 OD1 ASP A 55 12.829 11.527 10.783 1.00 18.27 O ATOM 828 OD2 ASP A 55 12.716 12.121 8.638 1.00 14.87 O ATOM 829 HA ASP A 55 14.000 7.991 9.863 1.00 0.00 H ATOM 830 HB2 ASP A 55 13.972 9.881 8.285 1.00 0.00 H ATOM 831 HB3 ASP A 55 12.304 9.423 8.703 1.00 0.00 H ATOM 832 H ASP A 55 12.324 9.735 11.631 1.00 0.00 H ATOM 833 N ALA A 56 15.300 9.493 12.108 1.00 14.67 N ATOM 834 CA ALA A 56 16.598 9.968 12.670 1.00 15.59 C ATOM 835 C ALA A 56 16.966 11.399 12.271 1.00 14.65 C ATOM 836 O ALA A 56 18.059 11.697 11.744 1.00 10.63 O ATOM 837 CB ALA A 56 17.746 9.064 12.217 1.00 14.84 C ATOM 838 HA ALA A 56 16.458 9.938 13.751 1.00 0.00 H ATOM 839 HB1 ALA A 56 17.563 8.046 12.562 1.00 0.00 H ATOM 840 HB2 ALA A 56 17.807 9.075 11.129 1.00 0.00 H ATOM 841 HB3 ALA A 56 18.682 9.429 12.639 1.00 0.00 H ATOM 842 H ALA A 56 14.567 9.128 12.749 1.00 0.00 H ATOM 843 N ASP A 57 15.940 12.236 12.450 1.00 14.28 N ATOM 844 CA ASP A 57 16.111 13.675 12.192 1.00 14.24 C ATOM 845 C ASP A 57 16.726 14.213 13.492 1.00 13.45 C ATOM 846 O ASP A 57 17.198 13.413 14.321 1.00 15.04 O ATOM 847 CB ASP A 57 14.829 14.240 11.646 1.00 14.66 C ATOM 848 CG ASP A 57 15.033 15.585 10.990 1.00 14.48 C ATOM 849 OD1 ASP A 57 16.003 16.303 11.358 1.00 16.70 O ATOM 850 OD2 ASP A 57 14.164 15.944 10.162 1.00 13.99 O ATOM 851 HA ASP A 57 16.795 13.978 11.399 1.00 0.00 H ATOM 852 HB2 ASP A 57 14.425 13.547 10.908 1.00 0.00 H ATOM 853 HB3 ASP A 57 14.118 14.352 12.464 1.00 0.00 H ATOM 854 H ASP A 57 15.021 11.871 12.772 1.00 0.00 H ATOM 855 N THR A 58 16.829 15.512 13.687 1.00 13.80 N ATOM 856 CA THR A 58 17.469 16.102 14.889 1.00 12.76 C ATOM 857 C THR A 58 16.577 16.462 16.034 1.00 10.02 C ATOM 858 O THR A 58 16.990 16.994 17.047 1.00 8.28 O ATOM 859 CB THR A 58 18.387 17.340 14.440 1.00 11.95 C ATOM 860 OG1 THR A 58 17.639 18.099 13.495 1.00 15.04 O ATOM 861 CG2 THR A 58 19.715 16.845 13.798 1.00 14.84 C ATOM 862 HA THR A 58 18.067 15.296 15.314 1.00 0.00 H ATOM 863 HB THR A 58 18.652 17.946 15.307 1.00 0.00 H ATOM 864 HG1 THR A 58 17.418 17.529 12.717 1.00 0.00 H ATOM 865 HG23 THR A 58 20.278 16.266 14.531 1.00 0.00 H ATOM 866 HG21 THR A 58 19.489 16.219 12.935 1.00 0.00 H ATOM 867 HG22 THR A 58 20.306 17.704 13.481 1.00 0.00 H ATOM 868 H THR A 58 16.444 16.154 12.965 1.00 0.00 H ATOM 869 N GLY A 60 15.258 16.218 15.854 1.00 9.93 N ATOM 870 CA GLY A 60 14.318 16.414 16.968 1.00 9.90 C ATOM 871 C GLY A 60 12.971 15.850 16.507 1.00 6.97 C ATOM 872 O GLY A 60 12.863 15.685 15.316 1.00 9.62 O ATOM 873 HA3 GLY A 60 14.223 17.475 17.198 1.00 0.00 H ATOM 874 HA2 GLY A 60 14.666 15.881 17.853 1.00 0.00 H ATOM 875 H GLY A 60 14.910 15.893 14.930 1.00 0.00 H ATOM 876 N PRO A 61 12.091 15.655 17.410 1.00 8.47 N ATOM 877 CA PRO A 61 10.690 15.236 17.035 1.00 10.86 C ATOM 878 C PRO A 61 10.016 16.323 16.191 1.00 10.17 C ATOM 879 O PRO A 61 10.184 17.567 16.313 1.00 9.53 O ATOM 880 CB PRO A 61 10.025 14.889 18.351 1.00 10.35 C ATOM 881 CG PRO A 61 11.116 14.841 19.397 1.00 11.72 C ATOM 882 CD PRO A 61 12.255 15.770 18.863 1.00 10.76 C ATOM 883 HA PRO A 61 10.633 14.364 16.383 1.00 0.00 H ATOM 884 HD3 PRO A 61 12.116 16.798 19.197 1.00 0.00 H ATOM 885 HD2 PRO A 61 13.236 15.416 19.180 1.00 0.00 H ATOM 886 HG3 PRO A 61 11.482 13.822 19.518 1.00 0.00 H ATOM 887 HG2 PRO A 61 10.743 15.208 20.353 1.00 0.00 H ATOM 888 HB2 PRO A 61 9.289 15.650 18.611 1.00 0.00 H ATOM 889 HB3 PRO A 61 9.533 13.919 18.278 1.00 0.00 H ATOM 890 N TRP A 62 9.346 15.846 15.166 1.00 10.39 N ATOM 891 CA TRP A 62 8.655 16.498 14.051 1.00 10.27 C ATOM 892 C TRP A 62 7.378 15.753 13.690 1.00 11.34 C ATOM 893 O TRP A 62 7.090 14.680 14.234 1.00 10.35 O ATOM 894 CB TRP A 62 9.553 16.518 12.801 1.00 6.87 C ATOM 895 CG TRP A 62 9.913 15.133 12.199 1.00 11.49 C ATOM 896 CD1 TRP A 62 10.965 14.362 12.552 1.00 10.76 C ATOM 897 CD2 TRP A 62 9.226 14.449 11.130 1.00 9.76 C ATOM 898 NE1 TRP A 62 10.948 13.190 11.753 1.00 10.93 N ATOM 899 CE2 TRP A 62 9.913 13.252 10.915 1.00 8.88 C ATOM 900 CE3 TRP A 62 8.083 14.736 10.362 1.00 6.55 C ATOM 901 CZ2 TRP A 62 9.490 12.313 9.953 1.00 10.84 C ATOM 902 CZ3 TRP A 62 7.682 13.806 9.382 1.00 7.84 C ATOM 903 CH2 TRP A 62 8.362 12.641 9.180 1.00 10.14 C ATOM 904 HA TRP A 62 8.417 17.513 14.368 1.00 0.00 H ATOM 905 HB2 TRP A 62 9.040 17.094 12.031 1.00 0.00 H ATOM 906 HB3 TRP A 62 10.484 17.018 13.067 1.00 0.00 H ATOM 907 HE1 TRP A 62 11.632 12.409 11.811 1.00 0.00 H ATOM 908 HD1 TRP A 62 11.701 14.600 13.320 1.00 0.00 H ATOM 909 HZ2 TRP A 62 10.017 11.369 9.814 1.00 0.00 H ATOM 910 HH2 TRP A 62 8.025 11.952 8.406 1.00 0.00 H ATOM 911 HZ3 TRP A 62 6.806 14.023 8.770 1.00 0.00 H ATOM 912 HE3 TRP A 62 7.521 15.656 10.521 1.00 0.00 H ATOM 913 H TRP A 62 9.297 14.807 15.142 1.00 0.00 H ATOM 914 N CYS A 63 6.636 16.336 12.765 1.00 10.97 N ATOM 915 CA CYS A 63 5.424 15.696 12.248 1.00 12.58 C ATOM 916 C CYS A 63 5.014 16.283 10.912 1.00 11.28 C ATOM 917 O CYS A 63 5.446 17.379 10.513 1.00 12.11 O ATOM 918 CB CYS A 63 4.223 15.882 13.193 1.00 12.17 C ATOM 919 SG CYS A 63 3.820 17.666 13.621 1.00 14.86 S ATOM 920 HA CYS A 63 5.674 14.639 12.153 1.00 0.00 H ATOM 921 HB2 CYS A 63 4.437 15.351 14.121 1.00 0.00 H ATOM 922 HB3 CYS A 63 3.347 15.442 12.718 1.00 0.00 H ATOM 923 H CYS A 63 6.918 17.267 12.397 1.00 0.00 H ATOM 924 N PHE A 64 4.146 15.555 10.230 1.00 7.55 N ATOM 925 CA PHE A 64 3.526 16.152 9.051 1.00 9.78 C ATOM 926 C PHE A 64 2.528 17.183 9.634 1.00 9.90 C ATOM 927 O PHE A 64 2.087 17.053 10.802 1.00 10.93 O ATOM 928 CB PHE A 64 2.818 15.134 8.165 1.00 12.00 C ATOM 929 CG PHE A 64 3.822 14.175 7.560 1.00 14.47 C ATOM 930 CD1 PHE A 64 4.528 14.564 6.425 1.00 12.18 C ATOM 931 CD2 PHE A 64 4.078 12.949 8.181 1.00 9.74 C ATOM 932 CE1 PHE A 64 5.443 13.693 5.839 1.00 12.35 C ATOM 933 CE2 PHE A 64 5.054 12.118 7.645 1.00 6.50 C ATOM 934 CZ PHE A 64 5.700 12.468 6.452 1.00 9.85 C ATOM 935 HA PHE A 64 4.272 16.600 8.394 1.00 0.00 H ATOM 936 HB2 PHE A 64 2.100 14.573 8.764 1.00 0.00 H ATOM 937 HB3 PHE A 64 2.293 15.656 7.366 1.00 0.00 H ATOM 938 HD2 PHE A 64 3.522 12.650 9.070 1.00 0.00 H ATOM 939 HE2 PHE A 64 5.318 11.191 8.154 1.00 0.00 H ATOM 940 HZ PHE A 64 6.410 11.776 5.999 1.00 0.00 H ATOM 941 HE1 PHE A 64 5.951 13.965 4.914 1.00 0.00 H ATOM 942 HD1 PHE A 64 4.364 15.552 5.994 1.00 0.00 H ATOM 943 H PHE A 64 3.912 14.586 10.525 1.00 0.00 H ATOM 944 N THR A 65 2.192 18.210 8.904 1.00 10.15 N ATOM 945 CA THR A 65 1.317 19.233 9.424 1.00 11.90 C ATOM 946 C THR A 65 -0.071 19.114 8.756 1.00 13.09 C ATOM 947 O THR A 65 -0.206 18.728 7.595 1.00 15.59 O ATOM 948 CB THR A 65 1.908 20.658 9.064 1.00 15.56 C ATOM 949 OG1 THR A 65 3.199 20.821 9.766 1.00 16.09 O ATOM 950 CG2 THR A 65 0.945 21.770 9.310 1.00 14.28 C ATOM 951 HA THR A 65 1.231 19.113 10.504 1.00 0.00 H ATOM 952 HB THR A 65 2.088 20.712 7.990 1.00 0.00 H ATOM 953 HG1 THR A 65 3.581 21.709 9.550 1.00 0.00 H ATOM 954 HG23 THR A 65 0.023 21.578 8.762 1.00 0.00 H ATOM 955 HG21 THR A 65 0.729 21.832 10.377 1.00 0.00 H ATOM 956 HG22 THR A 65 1.382 22.709 8.971 1.00 0.00 H ATOM 957 H THR A 65 2.559 18.293 7.935 1.00 0.00 H ATOM 958 N THR A 66 -1.008 19.656 9.468 1.00 14.68 N ATOM 959 CA THR A 66 -2.390 19.735 8.997 1.00 15.67 C ATOM 960 C THR A 66 -2.627 20.893 8.067 1.00 16.02 C ATOM 961 O THR A 66 -3.722 20.933 7.404 1.00 15.45 O ATOM 962 CB THR A 66 -3.270 19.664 10.301 1.00 16.18 C ATOM 963 OG1 THR A 66 -3.706 18.282 10.170 1.00 21.02 O ATOM 964 CG2 THR A 66 -4.217 20.809 10.435 1.00 17.90 C ATOM 965 HA THR A 66 -2.671 18.910 8.343 1.00 0.00 H ATOM 966 HB THR A 66 -2.825 19.827 11.283 1.00 0.00 H ATOM 967 HG1 THR A 66 -4.293 18.049 10.932 1.00 0.00 H ATOM 968 HG23 THR A 66 -3.653 21.738 10.518 1.00 0.00 H ATOM 969 HG21 THR A 66 -4.861 20.851 9.557 1.00 0.00 H ATOM 970 HG22 THR A 66 -4.827 20.672 11.328 1.00 0.00 H ATOM 971 H THR A 66 -0.770 20.046 10.402 1.00 0.00 H ATOM 972 N ASP A 67 -1.657 21.776 8.009 1.00 15.75 N ATOM 973 CA ASP A 67 -1.583 22.908 7.047 1.00 17.89 C ATOM 974 C ASP A 67 -1.210 22.367 5.668 1.00 17.45 C ATOM 975 O ASP A 67 -0.128 21.855 5.375 1.00 18.10 O ATOM 976 CB ASP A 67 -0.646 24.020 7.508 1.00 16.44 C ATOM 977 CG ASP A 67 -0.818 25.287 6.640 1.00 16.82 C ATOM 978 OD1 ASP A 67 -0.977 25.126 5.420 1.00 21.25 O ATOM 979 OD2 ASP A 67 -0.700 26.383 7.231 1.00 16.13 O ATOM 980 HA ASP A 67 -2.565 23.377 6.991 1.00 0.00 H ATOM 981 HB2 ASP A 67 -0.869 24.266 8.546 1.00 0.00 H ATOM 982 HB3 ASP A 67 0.384 23.673 7.431 1.00 0.00 H ATOM 983 H ASP A 67 -0.878 21.676 8.690 1.00 0.00 H ATOM 984 N PRO A 68 -2.216 22.364 4.781 1.00 18.36 N ATOM 985 CA PRO A 68 -2.038 21.749 3.493 1.00 17.96 C ATOM 986 C PRO A 68 -0.818 22.280 2.754 1.00 19.34 C ATOM 987 O PRO A 68 -0.319 21.654 1.787 1.00 17.34 O ATOM 988 CB PRO A 68 -3.386 22.018 2.780 1.00 19.77 C ATOM 989 CG PRO A 68 -4.332 22.490 3.807 1.00 19.16 C ATOM 990 CD PRO A 68 -3.555 23.003 4.993 1.00 18.25 C ATOM 991 HA PRO A 68 -1.822 20.682 3.550 1.00 0.00 H ATOM 992 HD3 PRO A 68 -3.483 24.091 4.980 1.00 0.00 H ATOM 993 HD2 PRO A 68 -4.005 22.681 5.932 1.00 0.00 H ATOM 994 HG3 PRO A 68 -4.974 21.666 4.119 1.00 0.00 H ATOM 995 HG2 PRO A 68 -4.946 23.292 3.397 1.00 0.00 H ATOM 996 HB2 PRO A 68 -3.257 22.780 2.011 1.00 0.00 H ATOM 997 HB3 PRO A 68 -3.757 21.101 2.322 1.00 0.00 H ATOM 998 N SER A 69 -0.405 23.473 3.189 1.00 20.44 N ATOM 999 CA SER A 69 0.646 24.278 2.520 1.00 21.52 C ATOM 1000 C SER A 69 2.033 23.781 2.968 1.00 19.98 C ATOM 1001 O SER A 69 2.949 24.040 2.224 1.00 21.00 O ATOM 1002 CB SER A 69 0.682 25.774 2.836 1.00 21.29 C ATOM 1003 OG SER A 69 -0.510 26.535 2.787 1.00 25.93 O ATOM 1004 HA SER A 69 0.406 24.153 1.464 1.00 0.00 H ATOM 1005 HB2 SER A 69 1.376 26.229 2.129 1.00 0.00 H ATOM 1006 HB3 SER A 69 1.078 25.873 3.847 1.00 0.00 H ATOM 1007 HG SER A 69 -1.161 26.168 3.436 1.00 0.00 H ATOM 1008 H SER A 69 -0.846 23.861 4.047 1.00 0.00 H ATOM 1009 N ILE A 70 2.067 23.306 4.180 1.00 19.34 N ATOM 1010 CA ILE A 70 3.245 22.841 4.889 1.00 18.06 C ATOM 1011 C ILE A 70 3.151 21.350 5.219 1.00 16.36 C ATOM 1012 O ILE A 70 2.505 20.853 6.166 1.00 17.03 O ATOM 1013 CB ILE A 70 3.399 23.674 6.212 1.00 14.61 C ATOM 1014 CG1 ILE A 70 3.205 25.174 5.908 1.00 18.86 C ATOM 1015 CG2 ILE A 70 4.722 23.461 6.992 1.00 14.94 C ATOM 1016 CD1 ILE A 70 4.033 25.585 4.641 1.00 19.26 C ATOM 1017 HA ILE A 70 4.116 22.980 4.249 1.00 0.00 H ATOM 1018 HB ILE A 70 2.620 23.297 6.875 1.00 0.00 H ATOM 1019 HG12 ILE A 70 2.148 25.371 5.727 1.00 0.00 H ATOM 1020 HG13 ILE A 70 3.541 25.761 6.763 1.00 0.00 H ATOM 1021 HD11 ILE A 70 5.091 25.392 4.821 1.00 0.00 H ATOM 1022 HD12 ILE A 70 3.697 25.002 3.784 1.00 0.00 H ATOM 1023 HD13 ILE A 70 3.885 26.646 4.440 1.00 0.00 H ATOM 1024 HG21 ILE A 70 4.809 22.413 7.279 1.00 0.00 H ATOM 1025 HG22 ILE A 70 5.565 23.736 6.358 1.00 0.00 H ATOM 1026 HG23 ILE A 70 4.720 24.085 7.886 1.00 0.00 H ATOM 1027 H ILE A 70 1.162 23.255 4.690 1.00 0.00 H ATOM 1028 N ARG A 71 4.013 20.646 4.545 1.00 16.85 N ATOM 1029 CA ARG A 71 4.215 19.188 4.634 1.00 12.54 C ATOM 1030 C ARG A 71 4.599 18.738 6.001 1.00 11.03 C ATOM 1031 O ARG A 71 3.963 17.842 6.558 1.00 10.37 O ATOM 1032 CB ARG A 71 5.301 18.803 3.586 1.00 13.37 C ATOM 1033 CG ARG A 71 5.704 17.337 3.666 1.00 15.61 C ATOM 1034 CD ARG A 71 6.034 16.741 2.352 1.00 12.69 C ATOM 1035 NE ARG A 71 6.032 15.309 2.448 1.00 16.45 N ATOM 1036 CZ ARG A 71 5.058 14.508 1.994 1.00 20.31 C ATOM 1037 NH1 ARG A 71 3.930 15.077 1.608 1.00 13.49 N ATOM 1038 NH2 ARG A 71 5.215 13.159 1.948 1.00 20.22 N ATOM 1039 HA ARG A 71 3.273 18.682 4.422 1.00 0.00 H ATOM 1040 HB2 ARG A 71 4.909 19.003 2.589 1.00 0.00 H ATOM 1041 HB3 ARG A 71 6.185 19.417 3.758 1.00 0.00 H ATOM 1042 HG2 ARG A 71 6.578 17.254 4.312 1.00 0.00 H ATOM 1043 HG3 ARG A 71 4.878 16.775 4.102 1.00 0.00 H ATOM 1044 HD2 ARG A 71 7.021 17.081 2.039 1.00 0.00 H ATOM 1045 HD3 ARG A 71 5.293 17.055 1.617 1.00 0.00 H ATOM 1046 HE ARG A 71 6.850 14.858 2.905 1.00 0.00 H ATOM 1047 HH12 ARG A 71 3.149 14.492 1.249 1.00 0.00 H ATOM 1048 HH11 ARG A 71 3.823 16.110 1.663 1.00 0.00 H ATOM 1049 HH22 ARG A 71 4.445 12.558 1.592 1.00 0.00 H ATOM 1050 HH21 ARG A 71 6.105 12.728 2.269 1.00 0.00 H ATOM 1051 H ARG A 71 4.620 21.163 3.877 1.00 0.00 H ATOM 1052 N TRP A 72 5.661 19.312 6.597 1.00 8.15 N ATOM 1053 CA TRP A 72 6.134 18.887 7.906 1.00 8.68 C ATOM 1054 C TRP A 72 6.962 19.996 8.546 1.00 7.26 C ATOM 1055 O TRP A 72 7.378 20.937 7.847 1.00 10.36 O ATOM 1056 CB TRP A 72 6.992 17.583 7.721 1.00 11.62 C ATOM 1057 CG TRP A 72 8.368 17.937 7.147 1.00 10.17 C ATOM 1058 CD1 TRP A 72 8.738 18.122 5.863 1.00 10.80 C ATOM 1059 CD2 TRP A 72 9.530 18.201 7.936 1.00 10.72 C ATOM 1060 NE1 TRP A 72 10.064 18.560 5.815 1.00 11.92 N ATOM 1061 CE2 TRP A 72 10.545 18.584 7.060 1.00 9.25 C ATOM 1062 CE3 TRP A 72 9.774 18.147 9.316 1.00 10.00 C ATOM 1063 CZ2 TRP A 72 11.848 18.839 7.524 1.00 12.48 C ATOM 1064 CZ3 TRP A 72 11.068 18.415 9.765 1.00 14.23 C ATOM 1065 CH2 TRP A 72 12.075 18.788 8.884 1.00 10.24 C ATOM 1066 HA TRP A 72 5.291 18.678 8.565 1.00 0.00 H ATOM 1067 HB2 TRP A 72 7.119 17.094 8.687 1.00 0.00 H ATOM 1068 HB3 TRP A 72 6.479 16.907 7.037 1.00 0.00 H ATOM 1069 HE1 TRP A 72 10.587 18.823 4.955 1.00 0.00 H ATOM 1070 HD1 TRP A 72 8.100 17.955 4.995 1.00 0.00 H ATOM 1071 HZ2 TRP A 72 12.655 19.070 6.829 1.00 0.00 H ATOM 1072 HH2 TRP A 72 13.060 19.045 9.273 1.00 0.00 H ATOM 1073 HZ3 TRP A 72 11.293 18.330 10.828 1.00 0.00 H ATOM 1074 HE3 TRP A 72 8.976 17.903 10.017 1.00 0.00 H ATOM 1075 H TRP A 72 6.159 20.083 6.107 1.00 0.00 H ATOM 1076 N GLU A 73 7.140 19.939 9.812 1.00 8.66 N ATOM 1077 CA GLU A 73 7.930 20.854 10.616 1.00 11.04 C ATOM 1078 C GLU A 73 8.330 20.127 11.908 1.00 10.72 C ATOM 1079 O GLU A 73 7.715 19.112 12.307 1.00 9.95 O ATOM 1080 CB GLU A 73 7.157 22.099 11.061 1.00 16.32 C ATOM 1081 CG GLU A 73 6.348 22.976 10.113 1.00 16.39 C ATOM 1082 CD GLU A 73 5.508 23.976 10.879 1.00 22.34 C ATOM 1083 OE1 GLU A 73 6.077 24.880 11.544 1.00 26.69 O ATOM 1084 OE2 GLU A 73 4.258 23.789 10.938 1.00 20.81 O ATOM 1085 HA GLU A 73 8.772 21.165 9.998 1.00 0.00 H ATOM 1086 HB2 GLU A 73 6.455 21.757 11.821 1.00 0.00 H ATOM 1087 HB3 GLU A 73 7.894 22.758 11.519 1.00 0.00 H ATOM 1088 HG2 GLU A 73 7.031 23.514 9.455 1.00 0.00 H ATOM 1089 HG3 GLU A 73 5.692 22.344 9.515 1.00 0.00 H ATOM 1090 H GLU A 73 6.672 19.159 10.316 1.00 0.00 H ATOM 1091 N TYR A 74 9.319 20.710 12.555 1.00 8.09 N ATOM 1092 CA TYR A 74 9.788 20.334 13.833 1.00 11.19 C ATOM 1093 C TYR A 74 8.672 20.758 14.821 1.00 12.33 C ATOM 1094 O TYR A 74 7.877 21.614 14.411 1.00 13.60 O ATOM 1095 CB TYR A 74 11.103 21.051 14.228 1.00 13.10 C ATOM 1096 CG TYR A 74 12.251 20.469 13.425 1.00 12.85 C ATOM 1097 CD1 TYR A 74 12.646 19.125 13.581 1.00 12.63 C ATOM 1098 CD2 TYR A 74 12.835 21.275 12.461 1.00 13.85 C ATOM 1099 CE1 TYR A 74 13.685 18.618 12.790 1.00 13.29 C ATOM 1100 CE2 TYR A 74 13.832 20.762 11.634 1.00 14.33 C ATOM 1101 CZ TYR A 74 14.271 19.452 11.845 1.00 12.77 C ATOM 1102 OH TYR A 74 15.225 19.042 10.961 1.00 14.91 O ATOM 1103 HA TYR A 74 10.005 19.266 13.846 1.00 0.00 H ATOM 1104 HB3 TYR A 74 11.292 20.906 15.292 1.00 0.00 H ATOM 1105 HB2 TYR A 74 11.014 22.117 14.018 1.00 0.00 H ATOM 1106 HD2 TYR A 74 12.514 22.311 12.350 1.00 0.00 H ATOM 1107 HE2 TYR A 74 14.261 21.370 10.838 1.00 0.00 H ATOM 1108 HE1 TYR A 74 14.027 17.590 12.913 1.00 0.00 H ATOM 1109 HD1 TYR A 74 12.148 18.486 14.310 1.00 0.00 H ATOM 1110 HH TYR A 74 15.487 18.110 11.169 1.00 0.00 H ATOM 1111 H TYR A 74 9.791 21.510 12.088 1.00 0.00 H ATOM 1112 N CYS A 75 8.630 20.028 15.892 1.00 12.44 N ATOM 1113 CA CYS A 75 7.719 20.265 16.996 1.00 15.07 C ATOM 1114 C CYS A 75 8.360 21.258 18.003 1.00 16.91 C ATOM 1115 O CYS A 75 9.579 21.433 18.076 1.00 15.44 O ATOM 1116 CB CYS A 75 7.307 18.968 17.637 1.00 17.23 C ATOM 1117 SG CYS A 75 6.159 17.951 16.618 1.00 14.55 S ATOM 1118 HA CYS A 75 6.805 20.725 16.622 1.00 0.00 H ATOM 1119 HB2 CYS A 75 6.815 19.195 18.582 1.00 0.00 H ATOM 1120 HB3 CYS A 75 8.205 18.381 17.829 1.00 0.00 H ATOM 1121 H CYS A 75 9.288 19.226 15.964 1.00 0.00 H ATOM 1122 N ASN A 76 7.412 21.915 18.673 1.00 16.23 N ATOM 1123 CA ASN A 76 7.772 22.954 19.657 1.00 17.37 C ATOM 1124 C ASN A 76 8.260 22.330 20.956 1.00 16.45 C ATOM 1125 O ASN A 76 7.599 22.405 22.019 1.00 14.96 O ATOM 1126 CB ASN A 76 6.569 23.899 19.718 1.00 18.88 C ATOM 1127 CG ASN A 76 6.784 25.237 20.372 1.00 21.35 C ATOM 1128 OD1 ASN A 76 5.992 25.663 21.256 1.00 28.15 O ATOM 1129 ND2 ASN A 76 7.936 25.851 20.071 1.00 29.03 N ATOM 1130 HA ASN A 76 8.635 23.559 19.381 1.00 0.00 H ATOM 1131 HB2 ASN A 76 6.242 24.082 18.694 1.00 0.00 H ATOM 1132 HB3 ASN A 76 5.777 23.388 20.266 1.00 0.00 H ATOM 1133 HD22 ASN A 76 8.556 25.460 19.333 1.00 0.00 H ATOM 1134 HD21 ASN A 76 8.210 26.718 20.575 1.00 0.00 H ATOM 1135 H ASN A 76 6.411 21.693 18.500 1.00 0.00 H ATOM 1136 N LEU A 77 9.479 21.773 20.894 1.00 13.99 N ATOM 1137 CA LEU A 77 10.145 21.174 22.033 1.00 14.60 C ATOM 1138 C LEU A 77 11.649 21.612 22.108 1.00 15.24 C ATOM 1139 O LEU A 77 12.365 21.890 21.143 1.00 16.72 O ATOM 1140 CB LEU A 77 10.117 19.631 22.010 1.00 13.79 C ATOM 1141 CG LEU A 77 8.807 18.892 21.888 1.00 15.96 C ATOM 1142 CD1 LEU A 77 8.953 17.486 21.275 1.00 13.51 C ATOM 1143 CD2 LEU A 77 8.130 18.852 23.253 1.00 11.52 C ATOM 1144 HA LEU A 77 9.590 21.528 22.902 1.00 0.00 H ATOM 1145 HB2 LEU A 77 10.732 19.319 21.166 1.00 0.00 H ATOM 1146 HB3 LEU A 77 10.580 19.296 22.938 1.00 0.00 H ATOM 1147 HG LEU A 77 8.177 19.437 21.185 1.00 0.00 H ATOM 1148 HD21 LEU A 77 8.778 18.338 23.963 1.00 0.00 H ATOM 1149 HD22 LEU A 77 7.947 19.870 23.597 1.00 0.00 H ATOM 1150 HD23 LEU A 77 7.183 18.319 23.172 1.00 0.00 H ATOM 1151 HD11 LEU A 77 9.377 17.570 20.274 1.00 0.00 H ATOM 1152 HD12 LEU A 77 9.612 16.885 21.901 1.00 0.00 H ATOM 1153 HD13 LEU A 77 7.973 17.013 21.217 1.00 0.00 H ATOM 1154 H LEU A 77 9.973 21.771 19.979 1.00 0.00 H ATOM 1155 N THR A 78 12.100 21.516 23.303 1.00 14.70 N ATOM 1156 CA THR A 78 13.475 21.760 23.756 1.00 16.65 C ATOM 1157 C THR A 78 14.134 20.371 23.895 1.00 13.88 C ATOM 1158 O THR A 78 13.558 19.335 24.189 1.00 9.79 O ATOM 1159 CB THR A 78 13.424 22.633 25.065 1.00 18.28 C ATOM 1160 OG1 THR A 78 14.751 23.241 25.288 1.00 23.47 O ATOM 1161 CG2 THR A 78 12.974 21.919 26.324 1.00 16.49 C ATOM 1162 HA THR A 78 14.087 22.338 23.064 1.00 0.00 H ATOM 1163 HB THR A 78 12.652 23.380 24.882 1.00 0.00 H ATOM 1164 HG1 THR A 78 15.428 22.526 25.389 1.00 0.00 H ATOM 1165 HG23 THR A 78 11.994 21.471 26.156 1.00 0.00 H ATOM 1166 HG21 THR A 78 13.693 21.139 26.575 1.00 0.00 H ATOM 1167 HG22 THR A 78 12.912 22.635 27.144 1.00 0.00 H ATOM 1168 H THR A 78 11.416 21.234 24.034 1.00 0.00 H ATOM 1169 N ARG A 79 15.432 20.411 23.749 1.00 14.73 N ATOM 1170 CA ARG A 79 16.274 19.222 23.895 1.00 14.45 C ATOM 1171 C ARG A 79 16.689 19.185 25.335 1.00 16.74 C ATOM 1172 O ARG A 79 17.222 20.208 25.878 1.00 17.20 O ATOM 1173 CB ARG A 79 17.374 19.375 22.859 1.00 18.26 C ATOM 1174 CG ARG A 79 18.203 18.183 22.507 1.00 20.59 C ATOM 1175 CD ARG A 79 19.202 17.824 23.555 1.00 19.80 C ATOM 1176 NE ARG A 79 20.262 17.008 22.914 1.00 21.10 N ATOM 1177 CZ ARG A 79 21.451 16.787 23.493 1.00 23.01 C ATOM 1178 NH1 ARG A 79 21.754 17.278 24.694 1.00 25.62 N ATOM 1179 NH2 ARG A 79 22.420 16.166 22.848 1.00 16.59 N ATOM 1180 HA ARG A 79 15.810 18.255 23.700 1.00 0.00 H ATOM 1181 HB2 ARG A 79 16.902 19.720 21.939 1.00 0.00 H ATOM 1182 HB3 ARG A 79 18.056 20.142 23.226 1.00 0.00 H ATOM 1183 HG2 ARG A 79 17.539 17.332 22.357 1.00 0.00 H ATOM 1184 HG3 ARG A 79 18.736 18.394 21.580 1.00 0.00 H ATOM 1185 HD2 ARG A 79 18.719 17.250 24.346 1.00 0.00 H ATOM 1186 HD3 ARG A 79 19.636 18.729 23.979 1.00 0.00 H ATOM 1187 HE ARG A 79 20.076 16.591 21.980 1.00 0.00 H ATOM 1188 HH12 ARG A 79 22.686 17.087 25.114 1.00 0.00 H ATOM 1189 HH11 ARG A 79 21.058 17.852 25.212 1.00 0.00 H ATOM 1190 HH22 ARG A 79 23.335 16.004 23.315 1.00 0.00 H ATOM 1191 HH21 ARG A 79 22.269 15.838 21.873 1.00 0.00 H ATOM 1192 H ARG A 79 15.883 21.320 23.521 1.00 0.00 H ATOM 1193 N CYS A 80 16.361 18.088 26.023 1.00 17.47 N ATOM 1194 CA CYS A 80 16.761 17.930 27.403 1.00 19.51 C ATOM 1195 C CYS A 80 18.301 18.103 27.509 1.00 21.23 C ATOM 1196 O CYS A 80 18.626 19.072 28.259 1.00 23.25 O ATOM 1197 CB CYS A 80 16.355 16.681 28.104 1.00 22.04 C ATOM 1198 SG CYS A 80 14.645 16.127 28.000 1.00 22.50 S ATOM 1199 HA CYS A 80 16.205 18.708 27.926 1.00 0.00 H ATOM 1200 OXT CYS A 80 19.042 17.293 26.956 1.00 21.20 O ATOM 1201 HB2 CYS A 80 16.580 16.822 29.161 1.00 0.00 H ATOM 1202 HB3 CYS A 80 16.975 15.877 27.706 1.00 0.00 H ATOM 1203 H CYS A 80 15.810 17.337 25.559 1.00 0.00 H TER 1204 CYS A 80 HETATM 1205 O HOH 1 9.971 7.915 16.636 1.00 20.24 O HETATM 1206 O HOH 2 13.005 19.563 30.407 1.00 25.24 O HETATM 1207 O HOH 3 15.117 10.300 22.797 1.00 21.28 O HETATM 1208 O HOH 4 0.757 14.472 -0.503 1.00 18.65 O HETATM 1209 O HOH 5 1.166 16.771 -2.011 1.00 24.89 O HETATM 1210 O HOH 6 3.519 12.957 -1.599 1.00 22.36 O HETATM 1211 O HOH 7 -5.413 5.648 1.638 1.00 21.94 O HETATM 1212 O HOH 8 -1.788 15.324 -0.822 1.00 25.39 O HETATM 1213 O HOH 9 2.695 13.579 11.460 1.00 13.81 O HETATM 1214 O HOH 10 1.319 24.223 30.537 1.00 21.17 O HETATM 1215 O HOH 11 13.492 12.017 24.219 1.00 19.86 O HETATM 1216 O HOH 12 0.292 19.695 21.498 1.00 18.81 O HETATM 1217 O HOH 13 10.616 13.341 27.263 1.00 22.14 O HETATM 1218 O HOH 14 15.528 22.110 27.734 1.00 20.79 O HETATM 1219 O HOH 15 11.710 11.221 26.092 1.00 25.08 O HETATM 1220 O HOH 16 4.335 13.957 27.427 1.00 19.82 O HETATM 1221 O HOH 17 16.593 13.791 32.381 1.00 20.69 O HETATM 1222 O HOH 18 4.355 18.870 29.262 1.00 22.93 O HETATM 1223 O HOH 19 0.686 21.157 26.395 1.00 22.13 O HETATM 1224 O HOH 20 9.380 9.578 26.581 1.00 26.00 O HETATM 1225 O HOH 21 11.559 5.654 29.424 1.00 19.57 O HETATM 1226 O HOH 22 12.846 8.876 27.035 1.00 25.47 O HETATM 1227 O HOH 23 15.732 8.895 26.440 1.00 22.34 O HETATM 1228 O HOH 24 -2.435 4.418 7.298 1.00 19.46 O HETATM 1229 O HOH 25 -5.620 4.323 7.925 1.00 21.48 O HETATM 1230 O HOH 26 -9.660 7.006 6.020 1.00 20.74 O HETATM 1231 O HOH 27 -7.253 19.137 3.327 1.00 24.21 O HETATM 1232 O HOH 28 -9.397 10.306 5.718 1.00 24.09 O HETATM 1233 O HOH 29 -7.464 15.095 7.627 1.00 22.23 O HETATM 1234 O HOH 30 -4.665 14.112 10.970 1.00 17.22 O HETATM 1235 O HOH 31 -5.960 6.318 9.927 1.00 17.58 O HETATM 1236 O HOH 32 -6.482 9.001 5.129 1.00 18.76 O HETATM 1237 O HOH 33 8.228 13.807 0.369 1.00 21.94 O HETATM 1238 O HOH 34 -1.658 4.635 3.432 1.00 20.90 O HETATM 1239 O HOH 35 17.061 8.607 8.077 1.00 21.94 O HETATM 1240 O HOH 36 6.817 9.017 3.106 1.00 19.16 O HETATM 1241 O HOH 37 10.285 7.104 8.235 1.00 23.74 O HETATM 1242 O HOH 38 9.596 17.404 2.090 1.00 22.87 O HETATM 1243 O HOH 39 10.492 21.519 9.012 1.00 22.81 O HETATM 1244 O HOH 40 9.520 22.598 6.650 1.00 22.33 O HETATM 1245 O HOH 41 9.676 21.202 3.433 1.00 25.31 O HETATM 1246 O HOH 42 2.480 28.575 7.562 1.00 23.69 O HETATM 1247 O HOH 43 -7.440 12.846 8.509 1.00 18.83 O HETATM 1248 O HOH 44 10.115 10.223 18.637 1.00 19.79 O HETATM 1249 O HOH 45 15.456 6.298 11.900 1.00 20.33 O HETATM 1250 O HOH 46 5.437 1.754 18.736 1.00 21.24 O HETATM 1251 O HOH 47 12.219 5.996 16.010 1.00 20.46 O HETATM 1252 O HOH 48 11.596 5.822 24.752 1.00 22.07 O HETATM 1253 O HOH 49 12.001 3.646 23.035 1.00 19.59 O HETATM 1254 O HOH 50 9.955 1.713 20.847 1.00 20.43 O HETATM 1255 O HOH 51 9.816 24.632 22.527 1.00 24.61 O HETATM 1256 O HOH 52 3.869 22.939 27.289 1.00 22.86 O HETATM 1257 O HOH 53 1.321 3.444 -1.530 1.00 23.09 O HETATM 1258 O HOH 54 -5.945 19.624 6.656 1.00 21.98 O HETATM 1259 O HOH 55 -7.230 19.969 9.631 1.00 21.85 O HETATM 1260 O HOH 56 -8.952 17.368 7.859 1.00 19.33 O HETATM 1261 O HOH 57 -5.358 11.233 0.060 1.00 23.55 O HETATM 1262 O HOH 58 -6.283 9.252 1.676 1.00 22.03 O HETATM 1263 O HOH 59 11.923 19.197 18.488 1.00 23.55 O HETATM 1264 O HOH 60 6.534 16.577 29.593 1.00 27.38 O HETATM 1265 O HOH 61 4.810 3.016 15.507 1.00 12.47 O HETATM 1266 O HOH 62 -5.345 16.771 11.291 1.00 21.58 O HETATM 1267 O HOH 63 7.398 28.178 12.448 1.00 25.76 O HETATM 1268 O HOH 64 10.100 27.448 10.936 1.00 21.58 O HETATM 1269 O HOH 65 3.872 29.191 17.386 1.00 25.17 O HETATM 1270 O HOH 66 -1.987 21.504 18.257 1.00 19.41 O HETATM 1271 O HOH 67 -2.903 18.951 18.981 1.00 18.36 O HETATM 1272 O HOH 68 -4.743 17.183 18.029 1.00 17.35 O HETATM 1273 O HOH 69 -2.024 22.982 11.541 1.00 17.71 O HETATM 1274 O HOH 70 -3.008 25.403 10.012 1.00 21.46 O HETATM 1275 O HOH 71 -2.699 24.667 15.241 1.00 17.06 O HETATM 1276 O HOH 72 -3.221 25.961 12.946 1.00 19.01 O HETATM 1277 O HOH 73 6.046 21.187 1.758 1.00 19.61 O HETATM 1278 O HOH 74 6.784 23.832 2.316 1.00 26.66 O HETATM 1279 O HOH 75 7.429 26.568 1.971 1.00 22.65 O HETATM 1280 O HOH 76 2.390 28.701 3.858 1.00 21.30 O HETATM 1281 O HOH 77 6.540 29.372 7.849 1.00 25.29 O HETATM 1282 O HOH 78 3.310 25.555 20.271 1.00 19.01 O HETATM 1283 O HOH 79 6.169 24.205 23.539 1.00 21.96 O HETATM 1284 O HOH 80 1.486 2.161 4.742 1.00 20.47 O HETATM 1285 O HOH 81 -7.722 21.956 5.263 1.00 19.77 O HETATM 1286 O HOH 82 -7.313 24.610 5.086 1.00 24.15 O HETATM 1287 O HOH 83 -4.566 27.365 7.148 1.00 23.51 O HETATM 1288 O HOH 84 -6.518 22.923 10.146 1.00 24.78 O HETATM 1289 O HOH 85 -7.180 25.546 10.397 1.00 21.32 O HETATM 1290 O HOH 86 -6.001 20.153 12.249 1.00 22.35 O HETATM 1291 O HOH 87 3.624 6.412 21.127 1.00 21.04 O HETATM 1292 O HOH 88 -1.596 20.090 -0.134 1.00 19.85 O HETATM 1293 O HOH 89 22.585 20.094 28.630 1.00 22.05 O HETATM 1294 O HOH 90 13.618 4.163 11.960 1.00 20.91 O HETATM 1295 O HOH 91 14.364 3.909 7.559 1.00 24.67 O HETATM 1296 O HOH 92 12.640 8.249 7.105 1.00 19.70 O HETATM 1297 O HOH 93 -1.303 7.275 14.251 1.00 18.22 O HETATM 1298 O HOH 94 20.625 20.219 25.844 1.00 24.15 O HETATM 1299 O HOH 95 7.479 11.319 27.556 1.00 24.58 O HETATM 1300 O HOH 96 8.546 25.286 10.308 1.00 23.41 O HETATM 1301 O HOH 97 1.181 17.624 25.969 1.00 25.42 O HETATM 1302 O HOH 98 18.562 7.869 15.626 1.00 20.02 O HETATM 1303 O HOH 99 13.274 22.851 18.070 1.00 29.00 O HETATM 1304 O HOH 100 12.094 24.824 13.061 1.00 20.88 O HETATM 1305 O HOH 101 -2.764 16.931 -3.812 1.00 23.44 O HETATM 1306 O HOH 102 19.910 14.791 25.850 1.00 21.59 O HETATM 1307 O HOH 103 11.576 11.651 29.185 1.00 19.88 O HETATM 1308 O HOH 104 11.830 16.067 30.907 1.00 20.85 O HETATM 1309 O HOH 105 0.473 19.585 24.201 1.00 21.88 O HETATM 1310 O HOH 106 17.623 15.406 30.466 1.00 21.50 O HETATM 1311 O HOH 107 10.087 23.329 11.638 1.00 21.08 O HETATM 1312 O HOH 108 11.467 27.502 13.333 1.00 20.88 O HETATM 1313 C1 ACA A 109 8.205 11.981 4.040 1.00 0.03 C HETATM 1314 C2 ACA A 109 8.892 12.902 5.080 1.00 0.00 C HETATM 1315 C3 ACA A 109 9.542 14.069 4.264 1.00 -0.04 C HETATM 1316 C4 ACA A 109 10.072 15.150 5.241 1.00 -0.05 C HETATM 1317 C5 ACA A 109 10.785 14.570 6.432 1.00 -0.01 C HETATM 1318 C6 ACA A 109 10.969 15.276 7.694 1.00 -0.04 C HETATM 1319 N6 ACA A 109 12.019 14.780 8.656 1.00 0.22 N HETATM 1320 H11 ACA A 109 12.027 15.366 9.476 1.00 0.20 H HETATM 1321 H12 ACA A 109 12.923 14.812 8.212 1.00 0.20 H HETATM 1322 H13 ACA A 109 11.809 13.831 8.923 1.00 0.20 H HETATM 1323 H9 ACA A 109 10.005 15.248 8.224 1.00 0.08 H HETATM 1324 H10 ACA A 109 11.222 16.318 7.448 1.00 0.08 H HETATM 1325 H7 ACA A 109 11.796 14.318 6.081 1.00 0.03 H HETATM 1326 H8 ACA A 109 10.243 13.646 6.683 1.00 0.03 H HETATM 1327 H5 ACA A 109 9.220 15.746 5.599 1.00 0.03 H HETATM 1328 H6 ACA A 109 10.772 15.801 4.697 1.00 0.03 H HETATM 1329 H3 ACA A 109 8.789 14.515 3.598 1.00 0.03 H HETATM 1330 H4 ACA A 109 10.376 13.677 3.664 1.00 0.03 H HETATM 1331 H1 ACA A 109 9.664 12.346 5.632 1.00 0.04 H HETATM 1332 H2 ACA A 109 8.149 13.299 5.788 1.00 0.04 H HETATM 1333 O2 ACA A 109 8.233 10.745 4.247 1.00 -0.57 O HETATM 1334 O1 ACA A 109 7.765 12.613 3.021 1.00 -0.57 O CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 25 24 1198 CONECT 328 327 919 CONECT 764 763 1117 CONECT 919 328 918 CONECT 1117 764 1116 CONECT 1198 25 1197 CONECT 1313 1314 1333 1334 CONECT 1314 1313 1315 1331 1332 CONECT 1315 1314 1316 1329 1330 CONECT 1316 1315 1317 1327 1328 CONECT 1317 1316 1318 1325 1326 CONECT 1318 1317 1319 1323 1324 CONECT 1319 1318 1320 1321 1322 CONECT 1320 1319 CONECT 1321 1319 CONECT 1322 1319 CONECT 1323 1318 CONECT 1324 1318 CONECT 1325 1317 CONECT 1326 1317 CONECT 1327 1316 CONECT 1328 1316 CONECT 1329 1315 CONECT 1330 1315 CONECT 1331 1314 CONECT 1332 1314 CONECT 1333 1313 CONECT 1334 1313 MASTER 0 0 0 0 0 0 0 0 1333 1 32 7 END
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Structure:
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Protein
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Related entries of code: 3kiv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1cea
RCSB PDB
PDBbind
ACA
Entry Information
PDB ID
3kiv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
apolipoprotein
Ligand Name
ACA
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v38 pp. 1990-8, 1999
Ligand Properties
Formula
C
6
H
1
4
NO
2
Molecular Weight
132.181
Exact Mass
132.102
No. of atoms
23
No. of bonds
22
Polar Surface Area
64.94
LOGP Value
-0.98 (
Computed with XLOGP3
)
-0.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
Canonical SMILES
[NH3+]CCCCCC(=O)O
InChI String
InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)/p+1
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):
P08519
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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