Browse entries in the PDBbind-CN Database
HEADER 2K00_COMPLEX COMPND 2K00_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 92 GLY VAL SER PHE PHE LEU VAL LYS GLU LYS MET LYS GLY SEQRES 2 A 92 LYS ASN LYS LEU VAL PRO ARG LEU LEU GLY ILE THR LYS SEQRES 3 A 92 GLU CYS VAL MET ARG VAL ASP GLU LYS THR LYS GLU VAL SEQRES 4 A 92 ILE GLN GLU TRP SER LEU THR ASN ILE LYS ARG TRP ALA SEQRES 5 A 92 ALA SER PRO LYS SER PHE THR LEU ASP PHE GLY ASP TYR SEQRES 6 A 92 GLN ASP GLY TYR TYR SER VAL GLN THR THR GLU GLY GLU SEQRES 7 A 92 GLN ILE ALA GLN LEU ILE ALA GLY TYR ILE ASP ILE ILE SEQRES 8 A 92 LEU HET GLY A 93 245 ATOM 1 N GLY A 309 4.748 12.424 7.134 1.00 4.12 N ATOM 2 CA GLY A 309 4.114 11.344 7.927 1.00 3.32 C ATOM 3 C GLY A 309 5.124 10.570 8.746 1.00 2.36 C ATOM 4 O GLY A 309 6.320 10.601 8.455 1.00 2.83 O ATOM 5 HA3 GLY A 309 3.612 10.656 7.246 1.00 0.00 H ATOM 6 HA2 GLY A 309 3.380 11.787 8.601 1.00 0.00 H ATOM 7 HN3 GLY A 309 5.445 12.010 6.482 1.00 0.00 H ATOM 8 HN2 GLY A 309 5.224 13.090 7.776 1.00 0.00 H ATOM 9 HN1 GLY A 309 4.018 12.927 6.589 1.00 0.00 H ATOM 10 N VAL A 310 4.648 9.879 9.772 1.00 1.70 N ATOM 11 CA VAL A 310 5.511 9.065 10.615 1.00 1.44 C ATOM 12 C VAL A 310 5.064 7.608 10.617 1.00 1.00 C ATOM 13 O VAL A 310 5.763 6.738 11.138 1.00 1.09 O ATOM 14 CB VAL A 310 5.555 9.582 12.069 1.00 2.11 C ATOM 15 CG1 VAL A 310 6.265 10.923 12.139 1.00 2.92 C ATOM 16 CG2 VAL A 310 4.152 9.688 12.651 1.00 2.83 C ATOM 17 HA VAL A 310 6.512 9.137 10.190 1.00 0.00 H ATOM 18 HB VAL A 310 6.116 8.864 12.666 1.00 0.00 H ATOM 19 HG11 VAL A 310 7.285 10.812 11.772 1.00 0.00 H ATOM 20 HG12 VAL A 310 5.733 11.647 11.522 1.00 0.00 H ATOM 21 HG13 VAL A 310 6.285 11.269 13.173 1.00 0.00 H ATOM 22 HG21 VAL A 310 3.562 10.380 12.050 1.00 0.00 H ATOM 23 HG22 VAL A 310 3.681 8.705 12.642 1.00 0.00 H ATOM 24 HG23 VAL A 310 4.212 10.054 13.676 1.00 0.00 H ATOM 25 H VAL A 310 3.630 9.920 9.980 1.00 0.00 H ATOM 26 N SER A 311 3.903 7.345 10.033 1.00 0.71 N ATOM 27 CA SER A 311 3.379 5.991 9.967 1.00 0.41 C ATOM 28 C SER A 311 3.955 5.240 8.769 1.00 0.34 C ATOM 29 O SER A 311 3.472 5.368 7.639 1.00 0.47 O ATOM 30 CB SER A 311 1.850 6.021 9.914 1.00 0.59 C ATOM 31 OG SER A 311 1.384 7.068 9.076 1.00 1.06 O ATOM 32 HA SER A 311 3.683 5.457 10.867 1.00 0.00 H ATOM 33 HB2 SER A 311 1.462 6.173 10.921 1.00 0.00 H ATOM 34 HB3 SER A 311 1.489 5.068 9.527 1.00 0.00 H ATOM 35 HG SER A 311 1.729 6.933 8.158 1.00 0.00 H ATOM 36 H SER A 311 3.356 8.124 9.613 1.00 0.00 H ATOM 37 N PHE A 312 5.007 4.475 9.023 1.00 0.29 N ATOM 38 CA PHE A 312 5.669 3.698 7.986 1.00 0.27 C ATOM 39 C PHE A 312 5.624 2.222 8.332 1.00 0.26 C ATOM 40 O PHE A 312 5.852 1.842 9.481 1.00 0.34 O ATOM 41 CB PHE A 312 7.127 4.141 7.820 1.00 0.31 C ATOM 42 CG PHE A 312 7.291 5.483 7.167 1.00 0.34 C ATOM 43 CD1 PHE A 312 7.176 6.649 7.903 1.00 0.45 C ATOM 44 CD2 PHE A 312 7.568 5.574 5.813 1.00 0.33 C ATOM 45 CE1 PHE A 312 7.331 7.882 7.301 1.00 0.52 C ATOM 46 CE2 PHE A 312 7.724 6.804 5.206 1.00 0.38 C ATOM 47 CZ PHE A 312 7.606 7.960 5.952 1.00 0.47 C ATOM 48 HA PHE A 312 5.143 3.867 7.047 1.00 0.00 H ATOM 49 HB2 PHE A 312 7.587 4.182 8.807 1.00 0.00 H ATOM 50 HB3 PHE A 312 7.643 3.399 7.211 1.00 0.00 H ATOM 51 HD2 PHE A 312 7.664 4.664 5.220 1.00 0.00 H ATOM 52 HE2 PHE A 312 7.940 6.863 4.139 1.00 0.00 H ATOM 53 HZ PHE A 312 7.730 8.932 5.475 1.00 0.00 H ATOM 54 HE1 PHE A 312 7.236 8.793 7.892 1.00 0.00 H ATOM 55 HD1 PHE A 312 6.961 6.594 8.970 1.00 0.00 H ATOM 56 H PHE A 312 5.372 4.428 9.996 1.00 0.00 H ATOM 57 N PHE A 313 5.326 1.396 7.346 1.00 0.24 N ATOM 58 CA PHE A 313 5.276 -0.042 7.550 1.00 0.26 C ATOM 59 C PHE A 313 6.472 -0.720 6.906 1.00 0.26 C ATOM 60 O PHE A 313 6.854 -0.394 5.780 1.00 0.26 O ATOM 61 CB PHE A 313 3.980 -0.626 6.991 1.00 0.28 C ATOM 62 CG PHE A 313 2.758 -0.239 7.774 1.00 0.30 C ATOM 63 CD1 PHE A 313 2.351 -0.996 8.861 1.00 0.34 C ATOM 64 CD2 PHE A 313 2.018 0.877 7.424 1.00 0.32 C ATOM 65 CE1 PHE A 313 1.228 -0.646 9.584 1.00 0.40 C ATOM 66 CE2 PHE A 313 0.894 1.231 8.143 1.00 0.37 C ATOM 67 CZ PHE A 313 0.499 0.469 9.224 1.00 0.41 C ATOM 68 HA PHE A 313 5.306 -0.227 8.624 1.00 0.00 H ATOM 69 HB2 PHE A 313 3.858 -0.276 5.966 1.00 0.00 H ATOM 70 HB3 PHE A 313 4.062 -1.713 6.995 1.00 0.00 H ATOM 71 HD2 PHE A 313 2.326 1.483 6.572 1.00 0.00 H ATOM 72 HE2 PHE A 313 0.319 2.112 7.857 1.00 0.00 H ATOM 73 HZ PHE A 313 -0.388 0.748 9.793 1.00 0.00 H ATOM 74 HE1 PHE A 313 0.918 -1.249 10.437 1.00 0.00 H ATOM 75 HD1 PHE A 313 2.924 -1.878 9.148 1.00 0.00 H ATOM 76 H PHE A 313 5.123 1.783 6.402 1.00 0.00 H ATOM 77 N LEU A 314 7.066 -1.652 7.630 1.00 0.36 N ATOM 78 CA LEU A 314 8.201 -2.402 7.124 1.00 0.38 C ATOM 79 C LEU A 314 7.720 -3.548 6.244 1.00 0.37 C ATOM 80 O LEU A 314 7.215 -4.560 6.736 1.00 0.50 O ATOM 81 CB LEU A 314 9.047 -2.938 8.281 1.00 0.51 C ATOM 82 CG LEU A 314 10.314 -3.690 7.869 1.00 0.57 C ATOM 83 CD1 LEU A 314 11.260 -2.771 7.110 1.00 0.54 C ATOM 84 CD2 LEU A 314 11.003 -4.275 9.090 1.00 0.72 C ATOM 85 HA LEU A 314 8.821 -1.735 6.525 1.00 0.00 H ATOM 86 HB2 LEU A 314 9.343 -2.093 8.902 1.00 0.00 H ATOM 87 HB3 LEU A 314 8.427 -3.617 8.866 1.00 0.00 H ATOM 88 HG LEU A 314 10.029 -4.508 7.208 1.00 0.00 H ATOM 89 HD21 LEU A 314 11.273 -3.470 9.773 1.00 0.00 H ATOM 90 HD22 LEU A 314 10.326 -4.967 9.591 1.00 0.00 H ATOM 91 HD23 LEU A 314 11.902 -4.806 8.778 1.00 0.00 H ATOM 92 HD11 LEU A 314 10.763 -2.399 6.214 1.00 0.00 H ATOM 93 HD12 LEU A 314 11.538 -1.932 7.747 1.00 0.00 H ATOM 94 HD13 LEU A 314 12.154 -3.326 6.827 1.00 0.00 H ATOM 95 H LEU A 314 6.711 -1.853 8.587 1.00 0.00 H ATOM 96 N VAL A 315 7.864 -3.379 4.942 1.00 0.26 N ATOM 97 CA VAL A 315 7.426 -4.385 3.990 1.00 0.26 C ATOM 98 C VAL A 315 8.610 -4.915 3.193 1.00 0.24 C ATOM 99 O VAL A 315 9.685 -4.317 3.196 1.00 0.27 O ATOM 100 CB VAL A 315 6.354 -3.827 3.027 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.125 -3.376 3.799 1.00 0.30 C ATOM 102 CG2 VAL A 315 6.909 -2.681 2.191 1.00 0.23 C ATOM 103 HA VAL A 315 6.980 -5.201 4.558 1.00 0.00 H ATOM 104 HB VAL A 315 6.063 -4.629 2.348 1.00 0.00 H ATOM 105 HG11 VAL A 315 4.707 -4.224 4.341 1.00 0.00 H ATOM 106 HG12 VAL A 315 5.407 -2.595 4.505 1.00 0.00 H ATOM 107 HG13 VAL A 315 4.383 -2.987 3.102 1.00 0.00 H ATOM 108 HG21 VAL A 315 7.237 -1.878 2.851 1.00 0.00 H ATOM 109 HG22 VAL A 315 7.754 -3.038 1.603 1.00 0.00 H ATOM 110 HG23 VAL A 315 6.131 -2.310 1.524 1.00 0.00 H ATOM 111 H VAL A 315 8.302 -2.504 4.590 1.00 0.00 H ATOM 112 N LYS A 316 8.421 -6.045 2.536 1.00 0.25 N ATOM 113 CA LYS A 316 9.470 -6.631 1.716 1.00 0.28 C ATOM 114 C LYS A 316 8.965 -6.860 0.299 1.00 0.28 C ATOM 115 O LYS A 316 8.043 -7.646 0.074 1.00 0.28 O ATOM 116 CB LYS A 316 9.961 -7.944 2.331 1.00 0.34 C ATOM 117 CG LYS A 316 10.537 -7.775 3.730 1.00 0.44 C ATOM 118 CD LYS A 316 11.053 -9.088 4.296 1.00 0.55 C ATOM 119 CE LYS A 316 12.215 -9.631 3.482 1.00 0.67 C ATOM 120 NZ LYS A 316 12.792 -10.858 4.089 1.00 1.44 N ATOM 121 HA LYS A 316 10.310 -5.937 1.677 1.00 0.00 H ATOM 122 HB2 LYS A 316 9.121 -8.637 2.384 1.00 0.00 H ATOM 123 HB3 LYS A 316 10.735 -8.361 1.686 1.00 0.00 H ATOM 124 HG2 LYS A 316 11.360 -7.062 3.688 1.00 0.00 H ATOM 125 HG3 LYS A 316 9.758 -7.390 4.388 1.00 0.00 H ATOM 126 HD2 LYS A 316 11.385 -8.925 5.321 1.00 0.00 H ATOM 127 HD3 LYS A 316 10.244 -9.819 4.289 1.00 0.00 H ATOM 128 HE2 LYS A 316 12.991 -8.868 3.423 1.00 0.00 H ATOM 129 HE3 LYS A 316 11.862 -9.867 2.478 1.00 0.00 H ATOM 130 HZ1 LYS A 316 13.137 -10.641 5.046 1.00 0.00 H ATOM 131 HZ2 LYS A 316 12.059 -11.594 4.143 1.00 0.00 H ATOM 132 HZ3 LYS A 316 13.582 -11.195 3.502 1.00 0.00 H ATOM 133 H LYS A 316 7.502 -6.527 2.606 1.00 0.00 H ATOM 134 N GLU A 317 9.567 -6.158 -0.648 1.00 0.32 N ATOM 135 CA GLU A 317 9.151 -6.217 -2.042 1.00 0.37 C ATOM 136 C GLU A 317 9.912 -7.308 -2.781 1.00 0.45 C ATOM 137 O GLU A 317 11.143 -7.351 -2.741 1.00 0.48 O ATOM 138 CB GLU A 317 9.410 -4.873 -2.725 1.00 0.39 C ATOM 139 CG GLU A 317 8.948 -3.679 -1.910 1.00 0.41 C ATOM 140 CD GLU A 317 9.198 -2.356 -2.601 1.00 0.49 C ATOM 141 OE1 GLU A 317 10.248 -2.216 -3.252 1.00 0.70 O ATOM 142 OE2 GLU A 317 8.340 -1.450 -2.519 1.00 0.61 O ATOM 143 HA GLU A 317 8.085 -6.443 -2.070 1.00 0.00 H ATOM 144 HB2 GLU A 317 10.481 -4.777 -2.902 1.00 0.00 H ATOM 145 HB3 GLU A 317 8.883 -4.864 -3.679 1.00 0.00 H ATOM 146 HG2 GLU A 317 7.878 -3.778 -1.725 1.00 0.00 H ATOM 147 HG3 GLU A 317 9.481 -3.680 -0.959 1.00 0.00 H ATOM 148 H GLU A 317 10.364 -5.543 -0.387 1.00 0.00 H ATOM 149 N LYS A 318 9.190 -8.190 -3.447 1.00 0.55 N ATOM 150 CA LYS A 318 9.826 -9.206 -4.263 1.00 0.68 C ATOM 151 C LYS A 318 9.791 -8.798 -5.728 1.00 0.82 C ATOM 152 O LYS A 318 8.769 -8.927 -6.404 1.00 0.95 O ATOM 153 CB LYS A 318 9.166 -10.574 -4.076 1.00 0.79 C ATOM 154 CG LYS A 318 9.791 -11.664 -4.936 1.00 0.93 C ATOM 155 CD LYS A 318 11.283 -11.810 -4.662 1.00 0.91 C ATOM 156 CE LYS A 318 11.944 -12.771 -5.639 1.00 1.08 C ATOM 157 NZ LYS A 318 11.910 -12.264 -7.038 1.00 1.74 N ATOM 158 HA LYS A 318 10.863 -9.293 -3.940 1.00 0.00 H ATOM 159 HB2 LYS A 318 9.258 -10.863 -3.029 1.00 0.00 H ATOM 160 HB3 LYS A 318 8.111 -10.489 -4.337 1.00 0.00 H ATOM 161 HG2 LYS A 318 9.297 -12.612 -4.720 1.00 0.00 H ATOM 162 HG3 LYS A 318 9.647 -11.412 -5.987 1.00 0.00 H ATOM 163 HD2 LYS A 318 11.756 -10.832 -4.753 1.00 0.00 H ATOM 164 HD3 LYS A 318 11.421 -12.186 -3.648 1.00 0.00 H ATOM 165 HE2 LYS A 318 11.422 -13.727 -5.599 1.00 0.00 H ATOM 166 HE3 LYS A 318 12.983 -12.914 -5.342 1.00 0.00 H ATOM 167 HZ1 LYS A 318 10.922 -12.132 -7.334 1.00 0.00 H ATOM 168 HZ2 LYS A 318 12.413 -11.355 -7.088 1.00 0.00 H ATOM 169 HZ3 LYS A 318 12.372 -12.952 -7.666 1.00 0.00 H ATOM 170 H LYS A 318 8.152 -8.156 -3.386 1.00 0.00 H ATOM 171 N MET A 319 10.909 -8.285 -6.201 1.00 0.90 N ATOM 172 CA MET A 319 11.036 -7.877 -7.589 1.00 1.09 C ATOM 173 C MET A 319 11.991 -8.824 -8.301 1.00 1.22 C ATOM 174 O MET A 319 12.628 -9.662 -7.657 1.00 1.23 O ATOM 175 CB MET A 319 11.559 -6.439 -7.671 1.00 1.20 C ATOM 176 CG MET A 319 10.768 -5.452 -6.824 1.00 1.21 C ATOM 177 SD MET A 319 9.070 -5.240 -7.390 1.00 1.68 S ATOM 178 CE MET A 319 9.341 -4.342 -8.915 1.00 1.67 C ATOM 179 HA MET A 319 10.059 -7.916 -8.070 1.00 0.00 H ATOM 180 HB2 MET A 319 12.595 -6.429 -7.334 1.00 0.00 H ATOM 181 HB3 MET A 319 11.514 -6.115 -8.711 1.00 0.00 H ATOM 182 HG2 MET A 319 11.269 -4.485 -6.859 1.00 0.00 H ATOM 183 HG3 MET A 319 10.749 -5.813 -5.796 1.00 0.00 H ATOM 184 HE1 MET A 319 9.851 -3.404 -8.697 1.00 0.00 H ATOM 185 HE2 MET A 319 9.955 -4.944 -9.585 1.00 0.00 H ATOM 186 HE3 MET A 319 8.381 -4.134 -9.388 1.00 0.00 H ATOM 187 H MET A 319 11.722 -8.169 -5.563 1.00 0.00 H ATOM 188 N LYS A 320 12.081 -8.710 -9.616 1.00 1.39 N ATOM 189 CA LYS A 320 13.042 -9.505 -10.372 1.00 1.57 C ATOM 190 C LYS A 320 14.420 -8.857 -10.302 1.00 1.62 C ATOM 191 O LYS A 320 14.585 -7.791 -9.703 1.00 1.59 O ATOM 192 CB LYS A 320 12.615 -9.684 -11.839 1.00 1.75 C ATOM 193 CG LYS A 320 12.538 -8.389 -12.624 1.00 1.81 C ATOM 194 CD LYS A 320 11.235 -7.661 -12.369 1.00 1.75 C ATOM 195 CE LYS A 320 11.434 -6.162 -12.386 1.00 1.75 C ATOM 196 NZ LYS A 320 10.141 -5.437 -12.302 1.00 2.30 N ATOM 197 HA LYS A 320 13.080 -10.496 -9.920 1.00 0.00 H ATOM 198 HB2 LYS A 320 13.336 -10.339 -12.328 1.00 0.00 H ATOM 199 HB3 LYS A 320 11.631 -10.153 -11.855 1.00 0.00 H ATOM 200 HG2 LYS A 320 13.367 -7.746 -12.329 1.00 0.00 H ATOM 201 HG3 LYS A 320 12.616 -8.614 -13.688 1.00 0.00 H ATOM 202 HD2 LYS A 320 10.518 -7.934 -13.143 1.00 0.00 H ATOM 203 HD3 LYS A 320 10.846 -7.957 -11.395 1.00 0.00 H ATOM 204 HE2 LYS A 320 11.937 -5.882 -13.312 1.00 0.00 H ATOM 205 HE3 LYS A 320 12.055 -5.878 -11.536 1.00 0.00 H ATOM 206 HZ1 LYS A 320 9.545 -5.698 -13.113 1.00 0.00 H ATOM 207 HZ2 LYS A 320 9.658 -5.694 -11.418 1.00 0.00 H ATOM 208 HZ3 LYS A 320 10.318 -4.412 -12.316 1.00 0.00 H ATOM 209 H LYS A 320 11.458 -8.045 -10.117 1.00 0.00 H ATOM 210 N GLY A 321 15.405 -9.502 -10.900 1.00 1.76 N ATOM 211 CA GLY A 321 16.760 -8.994 -10.855 1.00 1.87 C ATOM 212 C GLY A 321 17.572 -9.715 -9.802 1.00 1.78 C ATOM 213 O GLY A 321 18.767 -9.968 -9.975 1.00 1.93 O ATOM 214 HA3 GLY A 321 16.735 -7.930 -10.620 1.00 0.00 H ATOM 215 HA2 GLY A 321 17.228 -9.139 -11.829 1.00 0.00 H ATOM 216 H GLY A 321 15.205 -10.386 -11.410 1.00 0.00 H ATOM 217 N LYS A 322 16.902 -10.049 -8.711 1.00 1.57 N ATOM 218 CA LYS A 322 17.493 -10.823 -7.636 1.00 1.48 C ATOM 219 C LYS A 322 16.389 -11.537 -6.870 1.00 1.35 C ATOM 220 O LYS A 322 15.227 -11.125 -6.914 1.00 1.32 O ATOM 221 CB LYS A 322 18.306 -9.929 -6.692 1.00 1.45 C ATOM 222 CG LYS A 322 17.501 -8.812 -6.047 1.00 1.35 C ATOM 223 CD LYS A 322 18.335 -8.041 -5.040 1.00 1.38 C ATOM 224 CE LYS A 322 17.546 -6.907 -4.406 1.00 1.32 C ATOM 225 NZ LYS A 322 17.217 -5.837 -5.388 1.00 1.68 N ATOM 226 HA LYS A 322 18.176 -11.557 -8.064 1.00 0.00 H ATOM 227 HB2 LYS A 322 18.720 -10.554 -5.901 1.00 0.00 H ATOM 228 HB3 LYS A 322 19.120 -9.480 -7.262 1.00 0.00 H ATOM 229 HG2 LYS A 322 17.158 -8.127 -6.823 1.00 0.00 H ATOM 230 HG3 LYS A 322 16.639 -9.243 -5.538 1.00 0.00 H ATOM 231 HD2 LYS A 322 18.664 -8.724 -4.257 1.00 0.00 H ATOM 232 HD3 LYS A 322 19.206 -7.625 -5.547 1.00 0.00 H ATOM 233 HE2 LYS A 322 18.138 -6.474 -3.599 1.00 0.00 H ATOM 234 HE3 LYS A 322 16.618 -7.309 -3.999 1.00 0.00 H ATOM 235 HZ1 LYS A 322 18.097 -5.442 -5.777 1.00 0.00 H ATOM 236 HZ2 LYS A 322 16.646 -6.239 -6.158 1.00 0.00 H ATOM 237 HZ3 LYS A 322 16.679 -5.085 -4.912 1.00 0.00 H ATOM 238 H LYS A 322 15.912 -9.744 -8.621 1.00 0.00 H ATOM 239 N ASN A 323 16.746 -12.607 -6.180 1.00 1.31 N ATOM 240 CA ASN A 323 15.772 -13.392 -5.429 1.00 1.24 C ATOM 241 C ASN A 323 15.592 -12.826 -4.029 1.00 1.06 C ATOM 242 O ASN A 323 14.727 -13.271 -3.272 1.00 1.04 O ATOM 243 CB ASN A 323 16.211 -14.855 -5.348 1.00 1.38 C ATOM 244 CG ASN A 323 16.233 -15.530 -6.704 1.00 1.99 C ATOM 245 OD1 ASN A 323 15.424 -15.225 -7.579 1.00 2.79 O ATOM 246 ND2 ASN A 323 17.169 -16.442 -6.894 1.00 2.24 N ATOM 247 HA ASN A 323 14.818 -13.339 -5.953 1.00 0.00 H ATOM 248 HB2 ASN A 323 17.213 -14.897 -4.920 1.00 0.00 H ATOM 249 HB3 ASN A 323 15.518 -15.393 -4.701 1.00 0.00 H ATOM 250 HD22 ASN A 323 17.834 -16.672 -6.128 1.00 0.00 H ATOM 251 HD21 ASN A 323 17.241 -16.931 -7.809 1.00 0.00 H ATOM 252 H ASN A 323 17.745 -12.896 -6.172 1.00 0.00 H ATOM 253 N LYS A 324 16.411 -11.840 -3.698 1.00 1.03 N ATOM 254 CA LYS A 324 16.357 -11.195 -2.398 1.00 0.90 C ATOM 255 C LYS A 324 15.175 -10.237 -2.317 1.00 0.75 C ATOM 256 O LYS A 324 15.015 -9.359 -3.169 1.00 0.81 O ATOM 257 CB LYS A 324 17.660 -10.439 -2.129 1.00 1.04 C ATOM 258 CG LYS A 324 17.682 -9.702 -0.798 1.00 1.02 C ATOM 259 CD LYS A 324 19.029 -9.044 -0.553 1.00 1.26 C ATOM 260 CE LYS A 324 19.006 -8.161 0.683 1.00 1.61 C ATOM 261 NZ LYS A 324 20.343 -7.576 0.970 1.00 2.01 N ATOM 262 HA LYS A 324 16.229 -11.967 -1.640 1.00 0.00 H ATOM 263 HB2 LYS A 324 18.481 -11.156 -2.138 1.00 0.00 H ATOM 264 HB3 LYS A 324 17.806 -9.711 -2.927 1.00 0.00 H ATOM 265 HG2 LYS A 324 16.908 -8.935 -0.804 1.00 0.00 H ATOM 266 HG3 LYS A 324 17.482 -10.412 0.005 1.00 0.00 H ATOM 267 HD2 LYS A 324 19.783 -9.820 -0.419 1.00 0.00 H ATOM 268 HD3 LYS A 324 19.287 -8.434 -1.419 1.00 0.00 H ATOM 269 HE2 LYS A 324 18.691 -8.759 1.538 1.00 0.00 H ATOM 270 HE3 LYS A 324 18.293 -7.352 0.525 1.00 0.00 H ATOM 271 HZ1 LYS A 324 21.028 -8.342 1.128 1.00 0.00 H ATOM 272 HZ2 LYS A 324 20.648 -6.998 0.161 1.00 0.00 H ATOM 273 HZ3 LYS A 324 20.284 -6.981 1.821 1.00 0.00 H ATOM 274 H LYS A 324 17.116 -11.517 -4.391 1.00 0.00 H ATOM 275 N LEU A 325 14.348 -10.417 -1.297 1.00 0.61 N ATOM 276 CA LEU A 325 13.241 -9.507 -1.049 1.00 0.49 C ATOM 277 C LEU A 325 13.773 -8.191 -0.496 1.00 0.45 C ATOM 278 O LEU A 325 14.576 -8.178 0.438 1.00 0.55 O ATOM 279 CB LEU A 325 12.219 -10.113 -0.076 1.00 0.47 C ATOM 280 CG LEU A 325 11.308 -11.207 -0.650 1.00 0.53 C ATOM 281 CD1 LEU A 325 12.077 -12.497 -0.892 1.00 0.69 C ATOM 282 CD2 LEU A 325 10.132 -11.455 0.281 1.00 0.56 C ATOM 283 HA LEU A 325 12.731 -9.328 -1.996 1.00 0.00 H ATOM 284 HB2 LEU A 325 12.769 -10.543 0.761 1.00 0.00 H ATOM 285 HB3 LEU A 325 11.583 -9.305 0.285 1.00 0.00 H ATOM 286 HG LEU A 325 10.930 -10.860 -1.612 1.00 0.00 H ATOM 287 HD21 LEU A 325 10.502 -11.774 1.255 1.00 0.00 H ATOM 288 HD22 LEU A 325 9.558 -10.535 0.392 1.00 0.00 H ATOM 289 HD23 LEU A 325 9.495 -12.233 -0.140 1.00 0.00 H ATOM 290 HD11 LEU A 325 12.884 -12.310 -1.601 1.00 0.00 H ATOM 291 HD12 LEU A 325 12.494 -12.852 0.050 1.00 0.00 H ATOM 292 HD13 LEU A 325 11.402 -13.250 -1.298 1.00 0.00 H ATOM 293 H LEU A 325 14.494 -11.226 -0.660 1.00 0.00 H ATOM 294 N VAL A 326 13.326 -7.093 -1.078 1.00 0.40 N ATOM 295 CA VAL A 326 13.842 -5.780 -0.736 1.00 0.38 C ATOM 296 C VAL A 326 13.016 -5.133 0.368 1.00 0.32 C ATOM 297 O VAL A 326 11.814 -4.918 0.207 1.00 0.29 O ATOM 298 CB VAL A 326 13.848 -4.853 -1.967 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.563 -3.549 -1.657 1.00 0.45 C ATOM 300 CG2 VAL A 326 14.489 -5.549 -3.157 1.00 0.51 C ATOM 301 HA VAL A 326 14.864 -5.919 -0.382 1.00 0.00 H ATOM 302 HB VAL A 326 12.815 -4.619 -2.223 1.00 0.00 H ATOM 303 HG11 VAL A 326 14.053 -3.042 -0.837 1.00 0.00 H ATOM 304 HG12 VAL A 326 15.593 -3.760 -1.370 1.00 0.00 H ATOM 305 HG13 VAL A 326 14.554 -2.912 -2.541 1.00 0.00 H ATOM 306 HG21 VAL A 326 15.517 -5.816 -2.910 1.00 0.00 H ATOM 307 HG22 VAL A 326 13.925 -6.451 -3.396 1.00 0.00 H ATOM 308 HG23 VAL A 326 14.483 -4.877 -4.016 1.00 0.00 H ATOM 309 H VAL A 326 12.583 -7.171 -1.802 1.00 0.00 H ATOM 310 N PRO A 327 13.646 -4.829 1.510 1.00 0.33 N ATOM 311 CA PRO A 327 12.993 -4.104 2.601 1.00 0.30 C ATOM 312 C PRO A 327 12.602 -2.691 2.178 1.00 0.25 C ATOM 313 O PRO A 327 13.451 -1.896 1.761 1.00 0.32 O ATOM 314 CB PRO A 327 14.057 -4.061 3.705 1.00 0.39 C ATOM 315 CG PRO A 327 15.045 -5.115 3.338 1.00 0.46 C ATOM 316 CD PRO A 327 15.034 -5.180 1.840 1.00 0.42 C ATOM 317 HA PRO A 327 12.067 -4.584 2.918 1.00 0.00 H ATOM 318 HD3 PRO A 327 15.734 -4.463 1.410 1.00 0.00 H ATOM 319 HD2 PRO A 327 15.280 -6.182 1.488 1.00 0.00 H ATOM 320 HG3 PRO A 327 14.752 -6.075 3.762 1.00 0.00 H ATOM 321 HG2 PRO A 327 16.038 -4.848 3.700 1.00 0.00 H ATOM 322 HB2 PRO A 327 14.536 -3.082 3.737 1.00 0.00 H ATOM 323 HB3 PRO A 327 13.610 -4.277 4.675 1.00 0.00 H ATOM 324 N ARG A 328 11.318 -2.392 2.268 1.00 0.21 N ATOM 325 CA ARG A 328 10.798 -1.102 1.858 1.00 0.23 C ATOM 326 C ARG A 328 10.003 -0.477 2.997 1.00 0.20 C ATOM 327 O ARG A 328 9.324 -1.178 3.750 1.00 0.23 O ATOM 328 CB ARG A 328 9.896 -1.267 0.628 1.00 0.32 C ATOM 329 CG ARG A 328 9.543 0.042 -0.069 1.00 0.50 C ATOM 330 CD ARG A 328 10.770 0.670 -0.706 1.00 0.56 C ATOM 331 NE ARG A 328 11.372 -0.196 -1.722 1.00 0.47 N ATOM 332 CZ ARG A 328 12.656 -0.153 -2.067 1.00 0.58 C ATOM 333 NH1 ARG A 328 13.483 0.664 -1.432 1.00 0.78 N ATOM 334 NH2 ARG A 328 13.117 -0.933 -3.035 1.00 0.65 N ATOM 335 HA ARG A 328 11.633 -0.450 1.604 1.00 0.00 H ATOM 336 HB2 ARG A 328 10.409 -1.909 -0.089 1.00 0.00 H ATOM 337 HB3 ARG A 328 8.970 -1.746 0.945 1.00 0.00 H ATOM 338 HG2 ARG A 328 8.801 -0.155 -0.843 1.00 0.00 H ATOM 339 HG3 ARG A 328 9.127 0.735 0.663 1.00 0.00 H ATOM 340 HD2 ARG A 328 11.509 0.865 0.072 1.00 0.00 H ATOM 341 HD3 ARG A 328 10.480 1.611 -1.174 1.00 0.00 H ATOM 342 HE ARG A 328 10.759 -0.886 -2.202 1.00 0.00 H ATOM 343 HH12 ARG A 328 14.487 0.699 -1.700 1.00 0.00 H ATOM 344 HH11 ARG A 328 13.128 1.270 -0.665 1.00 0.00 H ATOM 345 HH22 ARG A 328 14.122 -0.894 -3.300 1.00 0.00 H ATOM 346 HH21 ARG A 328 12.474 -1.583 -3.530 1.00 0.00 H ATOM 347 H ARG A 328 10.660 -3.104 2.645 1.00 0.00 H ATOM 348 N LEU A 329 10.110 0.830 3.135 1.00 0.18 N ATOM 349 CA LEU A 329 9.300 1.562 4.087 1.00 0.20 C ATOM 350 C LEU A 329 8.038 2.056 3.407 1.00 0.19 C ATOM 351 O LEU A 329 8.075 2.998 2.612 1.00 0.24 O ATOM 352 CB LEU A 329 10.081 2.742 4.668 1.00 0.25 C ATOM 353 CG LEU A 329 11.175 2.369 5.665 1.00 0.31 C ATOM 354 CD1 LEU A 329 11.981 3.597 6.048 1.00 0.37 C ATOM 355 CD2 LEU A 329 10.562 1.729 6.902 1.00 0.36 C ATOM 356 HA LEU A 329 9.032 0.894 4.906 1.00 0.00 H ATOM 357 HB2 LEU A 329 10.546 3.279 3.841 1.00 0.00 H ATOM 358 HB3 LEU A 329 9.373 3.399 5.174 1.00 0.00 H ATOM 359 HG LEU A 329 11.845 1.649 5.196 1.00 0.00 H ATOM 360 HD21 LEU A 329 9.875 2.433 7.372 1.00 0.00 H ATOM 361 HD22 LEU A 329 10.020 0.829 6.613 1.00 0.00 H ATOM 362 HD23 LEU A 329 11.353 1.468 7.605 1.00 0.00 H ATOM 363 HD11 LEU A 329 12.442 4.020 5.156 1.00 0.00 H ATOM 364 HD12 LEU A 329 11.321 4.336 6.503 1.00 0.00 H ATOM 365 HD13 LEU A 329 12.757 3.314 6.759 1.00 0.00 H ATOM 366 H LEU A 329 10.793 1.348 2.546 1.00 0.00 H ATOM 367 N LEU A 330 6.933 1.393 3.689 1.00 0.17 N ATOM 368 CA LEU A 330 5.662 1.772 3.111 1.00 0.17 C ATOM 369 C LEU A 330 5.045 2.901 3.923 1.00 0.18 C ATOM 370 O LEU A 330 4.515 2.681 5.014 1.00 0.24 O ATOM 371 CB LEU A 330 4.717 0.572 3.049 1.00 0.22 C ATOM 372 CG LEU A 330 3.393 0.826 2.324 1.00 0.26 C ATOM 373 CD1 LEU A 330 3.647 1.279 0.894 1.00 0.57 C ATOM 374 CD2 LEU A 330 2.531 -0.427 2.340 1.00 0.49 C ATOM 375 HA LEU A 330 5.828 2.120 2.092 1.00 0.00 H ATOM 376 HB2 LEU A 330 5.234 -0.239 2.536 1.00 0.00 H ATOM 377 HB3 LEU A 330 4.490 0.267 4.071 1.00 0.00 H ATOM 378 HG LEU A 330 2.859 1.620 2.847 1.00 0.00 H ATOM 379 HD21 LEU A 330 3.061 -1.237 1.839 1.00 0.00 H ATOM 380 HD22 LEU A 330 2.323 -0.710 3.372 1.00 0.00 H ATOM 381 HD23 LEU A 330 1.594 -0.228 1.820 1.00 0.00 H ATOM 382 HD11 LEU A 330 4.228 2.201 0.904 1.00 0.00 H ATOM 383 HD12 LEU A 330 4.200 0.505 0.362 1.00 0.00 H ATOM 384 HD13 LEU A 330 2.694 1.454 0.395 1.00 0.00 H ATOM 385 H LEU A 330 6.976 0.582 4.339 1.00 0.00 H ATOM 386 N GLY A 331 5.153 4.108 3.400 1.00 0.18 N ATOM 387 CA GLY A 331 4.635 5.264 4.089 1.00 0.22 C ATOM 388 C GLY A 331 3.174 5.486 3.794 1.00 0.22 C ATOM 389 O GLY A 331 2.800 5.796 2.663 1.00 0.29 O ATOM 390 HA3 GLY A 331 5.196 6.144 3.773 1.00 0.00 H ATOM 391 HA2 GLY A 331 4.760 5.120 5.162 1.00 0.00 H ATOM 392 H GLY A 331 5.618 4.227 2.478 1.00 0.00 H ATOM 393 N ILE A 332 2.346 5.308 4.805 1.00 0.22 N ATOM 394 CA ILE A 332 0.923 5.522 4.656 1.00 0.22 C ATOM 395 C ILE A 332 0.529 6.810 5.359 1.00 0.24 C ATOM 396 O ILE A 332 0.553 6.884 6.586 1.00 0.36 O ATOM 397 CB ILE A 332 0.104 4.347 5.239 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.551 3.014 4.627 1.00 0.27 C ATOM 399 CG2 ILE A 332 -1.385 4.568 5.003 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.364 2.933 3.127 1.00 0.27 C ATOM 401 HA ILE A 332 0.703 5.590 3.591 1.00 0.00 H ATOM 402 HB ILE A 332 0.284 4.306 6.313 1.00 0.00 H ATOM 403 HG12 ILE A 332 1.609 2.872 4.849 1.00 0.00 H ATOM 404 HG13 ILE A 332 -0.027 2.213 5.089 1.00 0.00 H ATOM 405 HD11 ILE A 332 -0.691 3.061 2.886 1.00 0.00 H ATOM 406 HD12 ILE A 332 0.946 3.720 2.647 1.00 0.00 H ATOM 407 HD13 ILE A 332 0.704 1.960 2.772 1.00 0.00 H ATOM 408 HG21 ILE A 332 -1.695 5.493 5.489 1.00 0.00 H ATOM 409 HG22 ILE A 332 -1.575 4.637 3.932 1.00 0.00 H ATOM 410 HG23 ILE A 332 -1.946 3.731 5.420 1.00 0.00 H ATOM 411 H ILE A 332 2.723 5.008 5.727 1.00 0.00 H ATOM 412 N THR A 333 0.197 7.829 4.584 1.00 0.22 N ATOM 413 CA THR A 333 -0.165 9.115 5.154 1.00 0.23 C ATOM 414 C THR A 333 -1.609 9.464 4.829 1.00 0.23 C ATOM 415 O THR A 333 -2.250 8.804 4.010 1.00 0.28 O ATOM 416 CB THR A 333 0.762 10.243 4.651 1.00 0.26 C ATOM 417 OG1 THR A 333 0.718 10.323 3.221 1.00 0.34 O ATOM 418 CG2 THR A 333 2.196 10.012 5.105 1.00 0.38 C ATOM 419 HA THR A 333 -0.049 9.029 6.234 1.00 0.00 H ATOM 420 HB THR A 333 0.408 11.182 5.076 1.00 0.00 H ATOM 421 HG1 THR A 333 1.017 9.462 2.834 1.00 0.00 H ATOM 422 HG23 THR A 333 2.226 9.952 6.193 1.00 0.00 H ATOM 423 HG21 THR A 333 2.565 9.080 4.678 1.00 0.00 H ATOM 424 HG22 THR A 333 2.820 10.840 4.768 1.00 0.00 H ATOM 425 H THR A 333 0.195 7.708 3.551 1.00 0.00 H ATOM 426 N LYS A 334 -2.105 10.516 5.464 1.00 0.26 N ATOM 427 CA LYS A 334 -3.480 10.975 5.284 1.00 0.28 C ATOM 428 C LYS A 334 -3.698 11.616 3.914 1.00 0.26 C ATOM 429 O LYS A 334 -4.760 12.181 3.648 1.00 0.43 O ATOM 430 CB LYS A 334 -3.828 11.991 6.375 1.00 0.38 C ATOM 431 CG LYS A 334 -2.900 13.199 6.394 1.00 0.47 C ATOM 432 CD LYS A 334 -3.340 14.227 7.421 1.00 0.63 C ATOM 433 CE LYS A 334 -2.359 15.387 7.511 1.00 0.89 C ATOM 434 NZ LYS A 334 -2.210 16.105 6.216 1.00 1.61 N ATOM 435 HA LYS A 334 -4.129 10.102 5.353 1.00 0.00 H ATOM 436 HB2 LYS A 334 -4.847 12.340 6.210 1.00 0.00 H ATOM 437 HB3 LYS A 334 -3.768 11.493 7.343 1.00 0.00 H ATOM 438 HG2 LYS A 334 -1.891 12.866 6.636 1.00 0.00 H ATOM 439 HG3 LYS A 334 -2.901 13.662 5.407 1.00 0.00 H ATOM 440 HD2 LYS A 334 -4.319 14.613 7.138 1.00 0.00 H ATOM 441 HD3 LYS A 334 -3.409 13.745 8.396 1.00 0.00 H ATOM 442 HE2 LYS A 334 -1.385 15.000 7.811 1.00 0.00 H ATOM 443 HE3 LYS A 334 -2.716 16.091 8.263 1.00 0.00 H ATOM 444 HZ1 LYS A 334 -1.862 15.444 5.493 1.00 0.00 H ATOM 445 HZ2 LYS A 334 -3.133 16.486 5.924 1.00 0.00 H ATOM 446 HZ3 LYS A 334 -1.532 16.885 6.330 1.00 0.00 H ATOM 447 H LYS A 334 -1.488 11.038 6.119 1.00 0.00 H ATOM 448 N GLU A 335 -2.706 11.519 3.046 1.00 0.27 N ATOM 449 CA GLU A 335 -2.744 12.230 1.779 1.00 0.33 C ATOM 450 C GLU A 335 -2.110 11.429 0.642 1.00 0.27 C ATOM 451 O GLU A 335 -2.470 11.614 -0.521 1.00 0.34 O ATOM 452 CB GLU A 335 -2.049 13.580 1.949 1.00 0.46 C ATOM 453 CG GLU A 335 -0.714 13.481 2.667 1.00 0.56 C ATOM 454 CD GLU A 335 -0.235 14.813 3.195 1.00 0.85 C ATOM 455 OE1 GLU A 335 0.469 15.532 2.456 1.00 1.04 O ATOM 456 OE2 GLU A 335 -0.557 15.146 4.354 1.00 1.79 O ATOM 457 HA GLU A 335 -3.787 12.381 1.501 1.00 0.00 H ATOM 458 HB2 GLU A 335 -1.880 14.010 0.962 1.00 0.00 H ATOM 459 HB3 GLU A 335 -2.703 14.237 2.523 1.00 0.00 H ATOM 460 HG2 GLU A 335 -0.818 12.791 3.504 1.00 0.00 H ATOM 461 HG3 GLU A 335 0.029 13.094 1.970 1.00 0.00 H ATOM 462 H GLU A 335 -1.884 10.924 3.274 1.00 0.00 H ATOM 463 N CYS A 336 -1.181 10.534 0.963 1.00 0.23 N ATOM 464 CA CYS A 336 -0.473 9.792 -0.073 1.00 0.24 C ATOM 465 C CYS A 336 0.173 8.515 0.469 1.00 0.21 C ATOM 466 O CYS A 336 0.217 8.284 1.679 1.00 0.28 O ATOM 467 CB CYS A 336 0.591 10.692 -0.706 1.00 0.32 C ATOM 468 SG CYS A 336 1.595 11.596 0.496 1.00 1.10 S ATOM 469 HA CYS A 336 -1.202 9.489 -0.825 1.00 0.00 H ATOM 470 HB2 CYS A 336 0.090 11.416 -1.349 1.00 0.00 H ATOM 471 HB3 CYS A 336 1.253 10.070 -1.308 1.00 0.00 H ATOM 472 HG CYS A 336 2.252 10.698 1.313 1.00 0.00 H ATOM 473 H CYS A 336 -0.957 10.361 1.964 1.00 0.00 H ATOM 474 N VAL A 337 0.657 7.688 -0.447 1.00 0.22 N ATOM 475 CA VAL A 337 1.384 6.471 -0.107 1.00 0.21 C ATOM 476 C VAL A 337 2.758 6.497 -0.770 1.00 0.19 C ATOM 477 O VAL A 337 2.862 6.472 -1.996 1.00 0.22 O ATOM 478 CB VAL A 337 0.620 5.203 -0.562 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.431 3.949 -0.273 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.741 5.122 0.111 1.00 0.32 C ATOM 481 HA VAL A 337 1.487 6.434 0.977 1.00 0.00 H ATOM 482 HB VAL A 337 0.467 5.272 -1.639 1.00 0.00 H ATOM 483 HG11 VAL A 337 2.379 3.999 -0.809 1.00 0.00 H ATOM 484 HG12 VAL A 337 1.621 3.879 0.798 1.00 0.00 H ATOM 485 HG13 VAL A 337 0.872 3.073 -0.602 1.00 0.00 H ATOM 486 HG21 VAL A 337 -0.609 5.084 1.192 1.00 0.00 H ATOM 487 HG22 VAL A 337 -1.329 6.001 -0.154 1.00 0.00 H ATOM 488 HG23 VAL A 337 -1.258 4.223 -0.225 1.00 0.00 H ATOM 489 H VAL A 337 0.512 7.917 -1.451 1.00 0.00 H ATOM 490 N MET A 338 3.805 6.566 0.034 1.00 0.17 N ATOM 491 CA MET A 338 5.157 6.686 -0.496 1.00 0.17 C ATOM 492 C MET A 338 5.987 5.437 -0.216 1.00 0.16 C ATOM 493 O MET A 338 5.886 4.831 0.848 1.00 0.20 O ATOM 494 CB MET A 338 5.866 7.918 0.086 1.00 0.22 C ATOM 495 CG MET A 338 5.964 7.927 1.607 1.00 0.24 C ATOM 496 SD MET A 338 4.451 8.493 2.410 1.00 1.08 S ATOM 497 CE MET A 338 4.366 10.172 1.801 1.00 0.62 C ATOM 498 HA MET A 338 5.066 6.801 -1.576 1.00 0.00 H ATOM 499 HB2 MET A 338 6.876 7.955 -0.321 1.00 0.00 H ATOM 500 HB3 MET A 338 5.317 8.807 -0.226 1.00 0.00 H ATOM 501 HG2 MET A 338 6.780 8.588 1.898 1.00 0.00 H ATOM 502 HG3 MET A 338 6.180 6.914 1.947 1.00 0.00 H ATOM 503 HE1 MET A 338 5.258 10.716 2.112 1.00 0.00 H ATOM 504 HE2 MET A 338 4.307 10.160 0.713 1.00 0.00 H ATOM 505 HE3 MET A 338 3.481 10.661 2.208 1.00 0.00 H ATOM 506 H MET A 338 3.661 6.534 1.064 1.00 0.00 H ATOM 507 N ARG A 339 6.801 5.055 -1.189 1.00 0.16 N ATOM 508 CA ARG A 339 7.749 3.965 -1.020 1.00 0.17 C ATOM 509 C ARG A 339 9.125 4.516 -0.689 1.00 0.16 C ATOM 510 O ARG A 339 9.829 5.026 -1.564 1.00 0.18 O ATOM 511 CB ARG A 339 7.825 3.105 -2.282 1.00 0.22 C ATOM 512 CG ARG A 339 6.615 2.214 -2.480 1.00 0.27 C ATOM 513 CD ARG A 339 6.689 1.445 -3.787 1.00 0.31 C ATOM 514 NE ARG A 339 7.899 0.642 -3.915 1.00 0.73 N ATOM 515 CZ ARG A 339 8.732 0.707 -4.948 1.00 1.03 C ATOM 516 NH1 ARG A 339 8.519 1.580 -5.925 1.00 1.15 N ATOM 517 NH2 ARG A 339 9.767 -0.117 -5.009 1.00 1.55 N ATOM 518 HA ARG A 339 7.403 3.340 -0.197 1.00 0.00 H ATOM 519 HB2 ARG A 339 7.913 3.765 -3.145 1.00 0.00 H ATOM 520 HB3 ARG A 339 8.712 2.474 -2.217 1.00 0.00 H ATOM 521 HG2 ARG A 339 6.561 1.504 -1.655 1.00 0.00 H ATOM 522 HG3 ARG A 339 5.718 2.833 -2.485 1.00 0.00 H ATOM 523 HD2 ARG A 339 6.658 2.158 -4.611 1.00 0.00 H ATOM 524 HD3 ARG A 339 5.826 0.783 -3.849 1.00 0.00 H ATOM 525 HE ARG A 339 8.125 -0.024 -3.149 1.00 0.00 H ATOM 526 HH12 ARG A 339 9.174 1.628 -6.732 1.00 0.00 H ATOM 527 HH11 ARG A 339 7.698 2.216 -5.884 1.00 0.00 H ATOM 528 HH22 ARG A 339 10.422 -0.070 -5.815 1.00 0.00 H ATOM 529 HH21 ARG A 339 9.925 -0.811 -4.250 1.00 0.00 H ATOM 530 H ARG A 339 6.761 5.550 -2.103 1.00 0.00 H ATOM 531 N VAL A 340 9.490 4.433 0.576 1.00 0.18 N ATOM 532 CA VAL A 340 10.778 4.918 1.035 1.00 0.22 C ATOM 533 C VAL A 340 11.753 3.756 1.173 1.00 0.24 C ATOM 534 O VAL A 340 11.378 2.678 1.630 1.00 0.24 O ATOM 535 CB VAL A 340 10.637 5.648 2.390 1.00 0.25 C ATOM 536 CG1 VAL A 340 11.978 6.167 2.884 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.634 6.786 2.276 1.00 0.28 C ATOM 538 HA VAL A 340 11.161 5.625 0.299 1.00 0.00 H ATOM 539 HB VAL A 340 10.271 4.928 3.121 1.00 0.00 H ATOM 540 HG11 VAL A 340 12.665 5.331 3.011 1.00 0.00 H ATOM 541 HG12 VAL A 340 12.386 6.867 2.155 1.00 0.00 H ATOM 542 HG13 VAL A 340 11.840 6.674 3.839 1.00 0.00 H ATOM 543 HG21 VAL A 340 9.976 7.496 1.523 1.00 0.00 H ATOM 544 HG22 VAL A 340 8.663 6.385 1.985 1.00 0.00 H ATOM 545 HG23 VAL A 340 9.547 7.289 3.239 1.00 0.00 H ATOM 546 H VAL A 340 8.836 4.008 1.264 1.00 0.00 H ATOM 547 N ASP A 341 12.993 3.956 0.751 1.00 0.30 N ATOM 548 CA ASP A 341 14.003 2.917 0.887 1.00 0.36 C ATOM 549 C ASP A 341 14.364 2.736 2.358 1.00 0.38 C ATOM 550 O ASP A 341 14.487 3.711 3.095 1.00 0.41 O ATOM 551 CB ASP A 341 15.253 3.244 0.070 1.00 0.46 C ATOM 552 CG ASP A 341 16.226 2.082 0.037 1.00 0.55 C ATOM 553 OD1 ASP A 341 17.004 1.930 0.996 1.00 0.77 O ATOM 554 OD2 ASP A 341 16.196 1.302 -0.936 1.00 0.67 O ATOM 555 HA ASP A 341 13.588 1.986 0.500 1.00 0.00 H ATOM 556 HB2 ASP A 341 14.955 3.483 -0.951 1.00 0.00 H ATOM 557 HB3 ASP A 341 15.749 4.107 0.514 1.00 0.00 H ATOM 558 H ASP A 341 13.248 4.866 0.317 1.00 0.00 H ATOM 559 N GLU A 342 14.533 1.491 2.775 1.00 0.42 N ATOM 560 CA GLU A 342 14.727 1.170 4.183 1.00 0.47 C ATOM 561 C GLU A 342 16.086 1.656 4.689 1.00 0.60 C ATOM 562 O GLU A 342 16.215 2.076 5.836 1.00 0.72 O ATOM 563 CB GLU A 342 14.603 -0.343 4.381 1.00 0.49 C ATOM 564 CG GLU A 342 13.856 -0.751 5.641 1.00 0.60 C ATOM 565 CD GLU A 342 14.562 -0.341 6.916 1.00 0.95 C ATOM 566 OE1 GLU A 342 15.574 -0.980 7.275 1.00 1.51 O ATOM 567 OE2 GLU A 342 14.112 0.628 7.562 1.00 1.36 O ATOM 568 HA GLU A 342 13.958 1.683 4.760 1.00 0.00 H ATOM 569 HB2 GLU A 342 14.076 -0.758 3.522 1.00 0.00 H ATOM 570 HB3 GLU A 342 15.607 -0.765 4.428 1.00 0.00 H ATOM 571 HG2 GLU A 342 12.871 -0.285 5.626 1.00 0.00 H ATOM 572 HG3 GLU A 342 13.744 -1.835 5.641 1.00 0.00 H ATOM 573 H GLU A 342 14.527 0.720 2.077 1.00 0.00 H ATOM 574 N LYS A 343 17.092 1.619 3.827 1.00 0.69 N ATOM 575 CA LYS A 343 18.452 1.947 4.237 1.00 0.87 C ATOM 576 C LYS A 343 18.866 3.329 3.737 1.00 0.79 C ATOM 577 O LYS A 343 19.553 4.071 4.440 1.00 0.86 O ATOM 578 CB LYS A 343 19.418 0.872 3.734 1.00 1.08 C ATOM 579 CG LYS A 343 19.355 0.687 2.238 1.00 1.36 C ATOM 580 CD LYS A 343 19.769 -0.707 1.813 1.00 1.63 C ATOM 581 CE LYS A 343 19.582 -0.897 0.319 1.00 2.26 C ATOM 582 NZ LYS A 343 18.196 -0.569 -0.117 1.00 3.06 N ATOM 583 HA LYS A 343 18.487 1.973 5.326 1.00 0.00 H ATOM 584 HB2 LYS A 343 20.433 1.159 4.008 1.00 0.00 H ATOM 585 HB3 LYS A 343 19.168 -0.074 4.214 1.00 0.00 H ATOM 586 HG2 LYS A 343 18.333 0.866 1.905 1.00 0.00 H ATOM 587 HG3 LYS A 343 20.021 1.410 1.767 1.00 0.00 H ATOM 588 HD2 LYS A 343 20.819 -0.860 2.064 1.00 0.00 H ATOM 589 HD3 LYS A 343 19.160 -1.438 2.345 1.00 0.00 H ATOM 590 HE2 LYS A 343 19.794 -1.936 0.067 1.00 0.00 H ATOM 591 HE3 LYS A 343 20.280 -0.247 -0.209 1.00 0.00 H ATOM 592 HZ1 LYS A 343 17.523 -1.189 0.376 1.00 0.00 H ATOM 593 HZ2 LYS A 343 17.987 0.424 0.113 1.00 0.00 H ATOM 594 HZ3 LYS A 343 18.114 -0.713 -1.144 1.00 0.00 H ATOM 595 H LYS A 343 16.908 1.351 2.839 1.00 0.00 H ATOM 596 N THR A 344 18.444 3.676 2.528 1.00 0.73 N ATOM 597 CA THR A 344 18.767 4.974 1.952 1.00 0.72 C ATOM 598 C THR A 344 17.837 6.055 2.508 1.00 0.63 C ATOM 599 O THR A 344 18.197 7.234 2.566 1.00 0.67 O ATOM 600 CB THR A 344 18.664 4.929 0.414 1.00 0.80 C ATOM 601 OG1 THR A 344 19.360 3.776 -0.083 1.00 0.92 O ATOM 602 CG2 THR A 344 19.256 6.181 -0.213 1.00 0.92 C ATOM 603 HA THR A 344 19.793 5.219 2.225 1.00 0.00 H ATOM 604 HB THR A 344 17.609 4.873 0.146 1.00 0.00 H ATOM 605 HG1 THR A 344 18.954 2.957 0.298 1.00 0.00 H ATOM 606 HG23 THR A 344 18.729 7.058 0.163 1.00 0.00 H ATOM 607 HG21 THR A 344 20.312 6.251 0.047 1.00 0.00 H ATOM 608 HG22 THR A 344 19.150 6.128 -1.297 1.00 0.00 H ATOM 609 H THR A 344 17.869 3.005 1.979 1.00 0.00 H ATOM 610 N LYS A 345 16.643 5.629 2.926 1.00 0.55 N ATOM 611 CA LYS A 345 15.643 6.516 3.529 1.00 0.52 C ATOM 612 C LYS A 345 15.145 7.568 2.536 1.00 0.53 C ATOM 613 O LYS A 345 14.642 8.618 2.935 1.00 0.61 O ATOM 614 CB LYS A 345 16.204 7.196 4.784 1.00 0.61 C ATOM 615 CG LYS A 345 16.635 6.228 5.876 1.00 0.63 C ATOM 616 CD LYS A 345 15.471 5.395 6.389 1.00 0.62 C ATOM 617 CE LYS A 345 15.885 4.532 7.572 1.00 0.71 C ATOM 618 NZ LYS A 345 14.777 3.658 8.035 1.00 1.50 N ATOM 619 HA LYS A 345 14.793 5.897 3.814 1.00 0.00 H ATOM 620 HB2 LYS A 345 17.069 7.791 4.493 1.00 0.00 H ATOM 621 HB3 LYS A 345 15.434 7.851 5.192 1.00 0.00 H ATOM 622 HG2 LYS A 345 17.397 5.560 5.474 1.00 0.00 H ATOM 623 HG3 LYS A 345 17.054 6.797 6.706 1.00 0.00 H ATOM 624 HD2 LYS A 345 14.667 6.062 6.700 1.00 0.00 H ATOM 625 HD3 LYS A 345 15.115 4.749 5.586 1.00 0.00 H ATOM 626 HE2 LYS A 345 16.189 5.181 8.393 1.00 0.00 H ATOM 627 HE3 LYS A 345 16.727 3.907 7.275 1.00 0.00 H ATOM 628 HZ1 LYS A 345 13.971 4.247 8.327 1.00 0.00 H ATOM 629 HZ2 LYS A 345 14.485 3.030 7.259 1.00 0.00 H ATOM 630 HZ3 LYS A 345 15.101 3.087 8.842 1.00 0.00 H ATOM 631 H LYS A 345 16.411 4.621 2.819 1.00 0.00 H ATOM 632 N GLU A 346 15.263 7.274 1.250 1.00 0.53 N ATOM 633 CA GLU A 346 14.787 8.181 0.216 1.00 0.58 C ATOM 634 C GLU A 346 13.469 7.687 -0.366 1.00 0.44 C ATOM 635 O GLU A 346 13.207 6.483 -0.395 1.00 0.42 O ATOM 636 CB GLU A 346 15.826 8.328 -0.896 1.00 0.77 C ATOM 637 CG GLU A 346 17.086 9.056 -0.461 1.00 0.95 C ATOM 638 CD GLU A 346 16.797 10.446 0.066 1.00 1.61 C ATOM 639 OE1 GLU A 346 15.972 11.159 -0.542 1.00 1.81 O ATOM 640 OE2 GLU A 346 17.407 10.845 1.078 1.00 2.46 O ATOM 641 HA GLU A 346 14.625 9.157 0.673 1.00 0.00 H ATOM 642 HB2 GLU A 346 16.105 7.332 -1.241 1.00 0.00 H ATOM 643 HB3 GLU A 346 15.374 8.883 -1.719 1.00 0.00 H ATOM 644 HG2 GLU A 346 17.571 8.477 0.325 1.00 0.00 H ATOM 645 HG3 GLU A 346 17.756 9.138 -1.317 1.00 0.00 H ATOM 646 H GLU A 346 15.706 6.375 0.973 1.00 0.00 H ATOM 647 N VAL A 347 12.645 8.620 -0.822 1.00 0.39 N ATOM 648 CA VAL A 347 11.359 8.284 -1.414 1.00 0.33 C ATOM 649 C VAL A 347 11.534 7.968 -2.893 1.00 0.31 C ATOM 650 O VAL A 347 11.942 8.825 -3.678 1.00 0.42 O ATOM 651 CB VAL A 347 10.342 9.436 -1.256 1.00 0.41 C ATOM 652 CG1 VAL A 347 8.978 9.034 -1.800 1.00 0.54 C ATOM 653 CG2 VAL A 347 10.235 9.860 0.202 1.00 0.58 C ATOM 654 HA VAL A 347 10.972 7.411 -0.889 1.00 0.00 H ATOM 655 HB VAL A 347 10.700 10.287 -1.836 1.00 0.00 H ATOM 656 HG11 VAL A 347 9.068 8.788 -2.858 1.00 0.00 H ATOM 657 HG12 VAL A 347 8.612 8.165 -1.253 1.00 0.00 H ATOM 658 HG13 VAL A 347 8.281 9.863 -1.677 1.00 0.00 H ATOM 659 HG21 VAL A 347 9.905 9.012 0.802 1.00 0.00 H ATOM 660 HG22 VAL A 347 11.210 10.198 0.553 1.00 0.00 H ATOM 661 HG23 VAL A 347 9.514 10.672 0.291 1.00 0.00 H ATOM 662 H VAL A 347 12.925 9.619 -0.755 1.00 0.00 H ATOM 663 N ILE A 348 11.236 6.736 -3.264 1.00 0.25 N ATOM 664 CA ILE A 348 11.402 6.291 -4.639 1.00 0.26 C ATOM 665 C ILE A 348 10.170 6.623 -5.471 1.00 0.26 C ATOM 666 O ILE A 348 10.276 7.140 -6.584 1.00 0.35 O ATOM 667 CB ILE A 348 11.653 4.769 -4.703 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.839 4.389 -3.813 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.899 4.325 -6.141 1.00 0.32 C ATOM 670 CD1 ILE A 348 13.082 2.900 -3.732 1.00 0.31 C ATOM 671 HA ILE A 348 12.266 6.816 -5.045 1.00 0.00 H ATOM 672 HB ILE A 348 10.764 4.256 -4.335 1.00 0.00 H ATOM 673 HG12 ILE A 348 13.736 4.864 -4.212 1.00 0.00 H ATOM 674 HG13 ILE A 348 12.649 4.763 -2.807 1.00 0.00 H ATOM 675 HD11 ILE A 348 12.198 2.411 -3.324 1.00 0.00 H ATOM 676 HD12 ILE A 348 13.286 2.512 -4.730 1.00 0.00 H ATOM 677 HD13 ILE A 348 13.937 2.707 -3.084 1.00 0.00 H ATOM 678 HG21 ILE A 348 11.026 4.565 -6.748 1.00 0.00 H ATOM 679 HG22 ILE A 348 12.772 4.844 -6.536 1.00 0.00 H ATOM 680 HG23 ILE A 348 12.074 3.249 -6.163 1.00 0.00 H ATOM 681 H ILE A 348 10.873 6.067 -2.555 1.00 0.00 H ATOM 682 N GLN A 349 9.002 6.340 -4.916 1.00 0.23 N ATOM 683 CA GLN A 349 7.755 6.477 -5.651 1.00 0.23 C ATOM 684 C GLN A 349 6.618 6.806 -4.691 1.00 0.22 C ATOM 685 O GLN A 349 6.576 6.280 -3.581 1.00 0.29 O ATOM 686 CB GLN A 349 7.477 5.171 -6.396 1.00 0.28 C ATOM 687 CG GLN A 349 6.321 5.235 -7.374 1.00 0.40 C ATOM 688 CD GLN A 349 6.207 3.967 -8.196 1.00 0.86 C ATOM 689 OE1 GLN A 349 6.537 2.877 -7.724 1.00 1.65 O ATOM 690 NE2 GLN A 349 5.765 4.102 -9.434 1.00 0.81 N ATOM 691 HA GLN A 349 7.833 7.291 -6.371 1.00 0.00 H ATOM 692 HB2 GLN A 349 8.375 4.897 -6.949 1.00 0.00 H ATOM 693 HB3 GLN A 349 7.256 4.399 -5.659 1.00 0.00 H ATOM 694 HG2 GLN A 349 5.395 5.379 -6.817 1.00 0.00 H ATOM 695 HG3 GLN A 349 6.474 6.079 -8.047 1.00 0.00 H ATOM 696 HE22 GLN A 349 5.497 5.041 -9.791 1.00 0.00 H ATOM 697 HE21 GLN A 349 5.685 3.269 -10.051 1.00 0.00 H ATOM 698 H GLN A 349 8.976 6.011 -3.930 1.00 0.00 H ATOM 699 N GLU A 350 5.714 7.681 -5.109 1.00 0.23 N ATOM 700 CA GLU A 350 4.615 8.116 -4.255 1.00 0.25 C ATOM 701 C GLU A 350 3.297 8.096 -5.030 1.00 0.26 C ATOM 702 O GLU A 350 3.249 8.496 -6.196 1.00 0.36 O ATOM 703 CB GLU A 350 4.900 9.529 -3.731 1.00 0.30 C ATOM 704 CG GLU A 350 3.910 10.022 -2.687 1.00 0.36 C ATOM 705 CD GLU A 350 4.127 11.478 -2.328 1.00 0.45 C ATOM 706 OE1 GLU A 350 5.101 11.785 -1.609 1.00 0.65 O ATOM 707 OE2 GLU A 350 3.334 12.330 -2.784 1.00 0.60 O ATOM 708 HA GLU A 350 4.528 7.431 -3.412 1.00 0.00 H ATOM 709 HB2 GLU A 350 5.895 9.534 -3.287 1.00 0.00 H ATOM 710 HB3 GLU A 350 4.877 10.218 -4.576 1.00 0.00 H ATOM 711 HG2 GLU A 350 2.900 9.905 -3.079 1.00 0.00 H ATOM 712 HG3 GLU A 350 4.021 9.419 -1.786 1.00 0.00 H ATOM 713 H GLU A 350 5.791 8.067 -6.072 1.00 0.00 H ATOM 714 N TRP A 351 2.241 7.618 -4.385 1.00 0.23 N ATOM 715 CA TRP A 351 0.918 7.563 -4.997 1.00 0.26 C ATOM 716 C TRP A 351 -0.090 8.362 -4.182 1.00 0.25 C ATOM 717 O TRP A 351 0.056 8.506 -2.969 1.00 0.52 O ATOM 718 CB TRP A 351 0.424 6.120 -5.095 1.00 0.30 C ATOM 719 CG TRP A 351 1.258 5.238 -5.967 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.338 5.270 -7.327 1.00 0.38 C ATOM 721 CD2 TRP A 351 2.110 4.173 -5.538 1.00 0.30 C ATOM 722 NE1 TRP A 351 2.190 4.291 -7.773 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.676 3.603 -6.694 1.00 0.34 C ATOM 724 CE3 TRP A 351 2.450 3.644 -4.289 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.561 2.531 -6.635 1.00 0.38 C ATOM 726 CZ3 TRP A 351 3.328 2.582 -4.233 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.876 2.035 -5.400 1.00 0.39 C ATOM 728 HA TRP A 351 1.006 7.991 -5.996 1.00 0.00 H ATOM 729 HB2 TRP A 351 0.413 5.695 -4.091 1.00 0.00 H ATOM 730 HB3 TRP A 351 -0.590 6.133 -5.494 1.00 0.00 H ATOM 731 HE1 TRP A 351 2.428 4.103 -8.768 1.00 0.00 H ATOM 732 HD1 TRP A 351 0.803 5.971 -7.967 1.00 0.00 H ATOM 733 HZ2 TRP A 351 3.988 2.102 -7.541 1.00 0.00 H ATOM 734 HH2 TRP A 351 4.568 1.196 -5.322 1.00 0.00 H ATOM 735 HZ3 TRP A 351 3.600 2.162 -3.265 1.00 0.00 H ATOM 736 HE3 TRP A 351 2.028 4.064 -3.376 1.00 0.00 H ATOM 737 H TRP A 351 2.360 7.271 -3.412 1.00 0.00 H ATOM 738 N SER A 352 -1.107 8.874 -4.854 1.00 0.31 N ATOM 739 CA SER A 352 -2.202 9.557 -4.184 1.00 0.30 C ATOM 740 C SER A 352 -3.228 8.539 -3.686 1.00 0.26 C ATOM 741 O SER A 352 -3.373 7.464 -4.270 1.00 0.28 O ATOM 742 CB SER A 352 -2.870 10.538 -5.149 1.00 0.35 C ATOM 743 OG SER A 352 -1.905 11.349 -5.800 1.00 1.27 O ATOM 744 HA SER A 352 -1.807 10.108 -3.331 1.00 0.00 H ATOM 745 HB2 SER A 352 -3.555 11.177 -4.591 1.00 0.00 H ATOM 746 HB3 SER A 352 -3.428 9.977 -5.898 1.00 0.00 H ATOM 747 HG SER A 352 -2.363 11.973 -6.417 1.00 0.00 H ATOM 748 H SER A 352 -1.124 8.786 -5.890 1.00 0.00 H ATOM 749 N LEU A 353 -3.950 8.883 -2.623 1.00 0.25 N ATOM 750 CA LEU A 353 -4.956 7.984 -2.058 1.00 0.24 C ATOM 751 C LEU A 353 -6.142 7.847 -3.005 1.00 0.23 C ATOM 752 O LEU A 353 -6.849 6.844 -2.998 1.00 0.23 O ATOM 753 CB LEU A 353 -5.441 8.491 -0.696 1.00 0.25 C ATOM 754 CG LEU A 353 -4.381 8.540 0.407 1.00 0.26 C ATOM 755 CD1 LEU A 353 -4.995 9.033 1.708 1.00 0.31 C ATOM 756 CD2 LEU A 353 -3.743 7.173 0.603 1.00 0.26 C ATOM 757 HA LEU A 353 -4.491 7.007 -1.922 1.00 0.00 H ATOM 758 HB2 LEU A 353 -5.830 9.500 -0.833 1.00 0.00 H ATOM 759 HB3 LEU A 353 -6.245 7.835 -0.360 1.00 0.00 H ATOM 760 HG LEU A 353 -3.601 9.239 0.103 1.00 0.00 H ATOM 761 HD21 LEU A 353 -4.511 6.452 0.884 1.00 0.00 H ATOM 762 HD22 LEU A 353 -3.270 6.858 -0.327 1.00 0.00 H ATOM 763 HD23 LEU A 353 -2.993 7.233 1.392 1.00 0.00 H ATOM 764 HD11 LEU A 353 -5.402 10.033 1.560 1.00 0.00 H ATOM 765 HD12 LEU A 353 -5.794 8.356 2.011 1.00 0.00 H ATOM 766 HD13 LEU A 353 -4.228 9.062 2.482 1.00 0.00 H ATOM 767 H LEU A 353 -3.796 9.813 -2.183 1.00 0.00 H ATOM 768 N THR A 354 -6.334 8.862 -3.831 1.00 0.26 N ATOM 769 CA THR A 354 -7.422 8.888 -4.795 1.00 0.28 C ATOM 770 C THR A 354 -7.189 7.903 -5.947 1.00 0.28 C ATOM 771 O THR A 354 -8.045 7.731 -6.814 1.00 0.35 O ATOM 772 CB THR A 354 -7.579 10.297 -5.378 1.00 0.36 C ATOM 773 OG1 THR A 354 -6.302 10.767 -5.835 1.00 0.44 O ATOM 774 CG2 THR A 354 -8.144 11.273 -4.359 1.00 0.42 C ATOM 775 HA THR A 354 -8.327 8.594 -4.264 1.00 0.00 H ATOM 776 HB THR A 354 -8.283 10.240 -6.209 1.00 0.00 H ATOM 777 HG1 THR A 354 -6.402 11.677 -6.212 1.00 0.00 H ATOM 778 HG23 THR A 354 -9.114 10.915 -4.013 1.00 0.00 H ATOM 779 HG21 THR A 354 -7.461 11.349 -3.513 1.00 0.00 H ATOM 780 HG22 THR A 354 -8.262 12.253 -4.822 1.00 0.00 H ATOM 781 H THR A 354 -5.682 9.672 -3.789 1.00 0.00 H ATOM 782 N ASN A 355 -6.025 7.269 -5.965 1.00 0.26 N ATOM 783 CA ASN A 355 -5.708 6.305 -7.010 1.00 0.30 C ATOM 784 C ASN A 355 -5.804 4.887 -6.481 1.00 0.28 C ATOM 785 O ASN A 355 -5.306 3.945 -7.094 1.00 0.33 O ATOM 786 CB ASN A 355 -4.316 6.553 -7.594 1.00 0.37 C ATOM 787 CG ASN A 355 -4.302 7.705 -8.579 1.00 0.49 C ATOM 788 OD1 ASN A 355 -4.589 7.524 -9.762 1.00 0.83 O ATOM 789 ND2 ASN A 355 -3.957 8.892 -8.109 1.00 0.66 N ATOM 790 HA ASN A 355 -6.440 6.434 -7.807 1.00 0.00 H ATOM 791 HB2 ASN A 355 -3.629 6.780 -6.779 1.00 0.00 H ATOM 792 HB3 ASN A 355 -3.984 5.650 -8.106 1.00 0.00 H ATOM 793 HD22 ASN A 355 -3.721 9.004 -7.102 1.00 0.00 H ATOM 794 HD21 ASN A 355 -3.921 9.713 -8.746 1.00 0.00 H ATOM 795 H ASN A 355 -5.326 7.463 -5.220 1.00 0.00 H ATOM 796 N ILE A 356 -6.459 4.741 -5.345 1.00 0.26 N ATOM 797 CA ILE A 356 -6.665 3.436 -4.754 1.00 0.28 C ATOM 798 C ILE A 356 -8.007 2.865 -5.187 1.00 0.28 C ATOM 799 O ILE A 356 -9.065 3.372 -4.810 1.00 0.38 O ATOM 800 CB ILE A 356 -6.611 3.490 -3.218 1.00 0.31 C ATOM 801 CG1 ILE A 356 -5.259 4.032 -2.749 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.861 2.110 -2.636 1.00 0.36 C ATOM 803 CD1 ILE A 356 -5.138 4.122 -1.245 1.00 0.38 C ATOM 804 HA ILE A 356 -5.858 2.793 -5.104 1.00 0.00 H ATOM 805 HB ILE A 356 -7.392 4.164 -2.865 1.00 0.00 H ATOM 806 HG12 ILE A 356 -4.474 3.373 -3.120 1.00 0.00 H ATOM 807 HG13 ILE A 356 -5.122 5.029 -3.167 1.00 0.00 H ATOM 808 HD11 ILE A 356 -5.910 4.787 -0.859 1.00 0.00 H ATOM 809 HD12 ILE A 356 -5.262 3.129 -0.812 1.00 0.00 H ATOM 810 HD13 ILE A 356 -4.155 4.514 -0.984 1.00 0.00 H ATOM 811 HG21 ILE A 356 -7.845 1.759 -2.947 1.00 0.00 H ATOM 812 HG22 ILE A 356 -6.097 1.421 -2.997 1.00 0.00 H ATOM 813 HG23 ILE A 356 -6.820 2.163 -1.548 1.00 0.00 H ATOM 814 H ILE A 356 -6.836 5.582 -4.864 1.00 0.00 H ATOM 815 N LYS A 357 -7.957 1.819 -5.995 1.00 0.26 N ATOM 816 CA LYS A 357 -9.163 1.139 -6.439 1.00 0.30 C ATOM 817 C LYS A 357 -9.587 0.116 -5.394 1.00 0.31 C ATOM 818 O LYS A 357 -10.769 -0.016 -5.069 1.00 0.45 O ATOM 819 CB LYS A 357 -8.913 0.452 -7.785 1.00 0.35 C ATOM 820 CG LYS A 357 -10.122 -0.286 -8.335 1.00 0.46 C ATOM 821 CD LYS A 357 -9.787 -1.006 -9.630 1.00 0.60 C ATOM 822 CE LYS A 357 -10.986 -1.753 -10.190 1.00 0.79 C ATOM 823 NZ LYS A 357 -12.151 -0.862 -10.441 1.00 1.75 N ATOM 824 HA LYS A 357 -9.962 1.869 -6.565 1.00 0.00 H ATOM 825 HB2 LYS A 357 -8.616 1.212 -8.508 1.00 0.00 H ATOM 826 HB3 LYS A 357 -8.101 -0.265 -7.659 1.00 0.00 H ATOM 827 HG2 LYS A 357 -10.458 -1.016 -7.599 1.00 0.00 H ATOM 828 HG3 LYS A 357 -10.921 0.431 -8.524 1.00 0.00 H ATOM 829 HD2 LYS A 357 -9.453 -0.273 -10.365 1.00 0.00 H ATOM 830 HD3 LYS A 357 -8.985 -1.719 -9.440 1.00 0.00 H ATOM 831 HE2 LYS A 357 -11.282 -2.522 -9.477 1.00 0.00 H ATOM 832 HE3 LYS A 357 -10.697 -2.223 -11.130 1.00 0.00 H ATOM 833 HZ1 LYS A 357 -12.442 -0.414 -9.549 1.00 0.00 H ATOM 834 HZ2 LYS A 357 -11.883 -0.128 -11.127 1.00 0.00 H ATOM 835 HZ3 LYS A 357 -12.939 -1.423 -10.822 1.00 0.00 H ATOM 836 H LYS A 357 -7.032 1.474 -6.321 1.00 0.00 H ATOM 837 N ARG A 358 -8.599 -0.590 -4.864 1.00 0.26 N ATOM 838 CA ARG A 358 -8.823 -1.625 -3.867 1.00 0.29 C ATOM 839 C ARG A 358 -7.493 -2.051 -3.266 1.00 0.28 C ATOM 840 O ARG A 358 -6.436 -1.581 -3.694 1.00 0.35 O ATOM 841 CB ARG A 358 -9.514 -2.842 -4.488 1.00 0.34 C ATOM 842 CG ARG A 358 -8.853 -3.329 -5.760 1.00 0.37 C ATOM 843 CD ARG A 358 -9.342 -4.705 -6.162 1.00 0.54 C ATOM 844 NE ARG A 358 -10.791 -4.763 -6.336 1.00 0.83 N ATOM 845 CZ ARG A 358 -11.384 -5.449 -7.305 1.00 1.19 C ATOM 846 NH1 ARG A 358 -10.651 -6.041 -8.240 1.00 1.46 N ATOM 847 NH2 ARG A 358 -12.706 -5.527 -7.351 1.00 1.75 N ATOM 848 HA ARG A 358 -9.469 -1.218 -3.089 1.00 0.00 H ATOM 849 HB2 ARG A 358 -9.503 -3.654 -3.761 1.00 0.00 H ATOM 850 HB3 ARG A 358 -10.546 -2.574 -4.716 1.00 0.00 H ATOM 851 HG2 ARG A 358 -9.076 -2.627 -6.564 1.00 0.00 H ATOM 852 HG3 ARG A 358 -7.775 -3.370 -5.603 1.00 0.00 H ATOM 853 HD2 ARG A 358 -9.055 -5.417 -5.388 1.00 0.00 H ATOM 854 HD3 ARG A 358 -8.867 -4.983 -7.103 1.00 0.00 H ATOM 855 HE ARG A 358 -11.389 -4.239 -5.666 1.00 0.00 H ATOM 856 HH12 ARG A 358 -11.114 -6.579 -9.000 1.00 0.00 H ATOM 857 HH11 ARG A 358 -9.614 -5.967 -8.212 1.00 0.00 H ATOM 858 HH22 ARG A 358 -13.169 -6.065 -8.111 1.00 0.00 H ATOM 859 HH21 ARG A 358 -13.281 -5.050 -6.627 1.00 0.00 H ATOM 860 H ARG A 358 -7.625 -0.396 -5.173 1.00 0.00 H ATOM 861 N TRP A 359 -7.546 -2.927 -2.278 1.00 0.25 N ATOM 862 CA TRP A 359 -6.342 -3.508 -1.713 1.00 0.27 C ATOM 863 C TRP A 359 -6.647 -4.875 -1.117 1.00 0.28 C ATOM 864 O TRP A 359 -7.785 -5.150 -0.722 1.00 0.36 O ATOM 865 CB TRP A 359 -5.714 -2.582 -0.657 1.00 0.28 C ATOM 866 CG TRP A 359 -6.603 -2.249 0.507 1.00 0.27 C ATOM 867 CD1 TRP A 359 -6.878 -3.040 1.584 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.311 -1.023 0.721 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.721 -2.383 2.447 1.00 0.35 N ATOM 870 CE2 TRP A 359 -8.000 -1.144 1.942 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.431 0.164 -0.001 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -8.794 -0.123 2.454 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.221 1.177 0.508 1.00 0.40 C ATOM 874 CH2 TRP A 359 -8.892 1.028 1.725 1.00 0.39 C ATOM 875 HA TRP A 359 -5.616 -3.630 -2.517 1.00 0.00 H ATOM 876 HB2 TRP A 359 -4.819 -3.069 -0.270 1.00 0.00 H ATOM 877 HB3 TRP A 359 -5.436 -1.649 -1.148 1.00 0.00 H ATOM 878 HE1 TRP A 359 -8.088 -2.767 3.341 1.00 0.00 H ATOM 879 HD1 TRP A 359 -6.486 -4.046 1.737 1.00 0.00 H ATOM 880 HZ2 TRP A 359 -9.319 -0.237 3.402 1.00 0.00 H ATOM 881 HH2 TRP A 359 -9.506 1.847 2.100 1.00 0.00 H ATOM 882 HZ3 TRP A 359 -8.323 2.108 -0.049 1.00 0.00 H ATOM 883 HE3 TRP A 359 -6.911 0.291 -0.950 1.00 0.00 H ATOM 884 H TRP A 359 -8.472 -3.207 -1.896 1.00 0.00 H ATOM 885 N ALA A 360 -5.637 -5.729 -1.075 1.00 0.25 N ATOM 886 CA ALA A 360 -5.778 -7.061 -0.511 1.00 0.27 C ATOM 887 C ALA A 360 -4.945 -7.201 0.750 1.00 0.25 C ATOM 888 O ALA A 360 -3.713 -7.189 0.706 1.00 0.31 O ATOM 889 CB ALA A 360 -5.399 -8.120 -1.531 1.00 0.31 C ATOM 890 HA ALA A 360 -6.824 -7.209 -0.243 1.00 0.00 H ATOM 891 HB1 ALA A 360 -6.051 -8.035 -2.401 1.00 0.00 H ATOM 892 HB2 ALA A 360 -4.363 -7.974 -1.836 1.00 0.00 H ATOM 893 HB3 ALA A 360 -5.513 -9.108 -1.086 1.00 0.00 H ATOM 894 H ALA A 360 -4.714 -5.438 -1.457 1.00 0.00 H ATOM 895 N ALA A 361 -5.632 -7.322 1.874 1.00 0.26 N ATOM 896 CA ALA A 361 -4.977 -7.444 3.162 1.00 0.27 C ATOM 897 C ALA A 361 -4.884 -8.899 3.592 1.00 0.25 C ATOM 898 O ALA A 361 -5.864 -9.491 4.049 1.00 0.38 O ATOM 899 CB ALA A 361 -5.718 -6.630 4.211 1.00 0.35 C ATOM 900 HA ALA A 361 -3.964 -7.054 3.064 1.00 0.00 H ATOM 901 HB1 ALA A 361 -5.728 -5.581 3.915 1.00 0.00 H ATOM 902 HB2 ALA A 361 -6.742 -6.995 4.296 1.00 0.00 H ATOM 903 HB3 ALA A 361 -5.213 -6.732 5.172 1.00 0.00 H ATOM 904 H ALA A 361 -6.671 -7.330 1.833 1.00 0.00 H ATOM 905 N SER A 362 -3.711 -9.480 3.413 1.00 0.32 N ATOM 906 CA SER A 362 -3.453 -10.835 3.862 1.00 0.40 C ATOM 907 C SER A 362 -2.382 -10.815 4.950 1.00 0.42 C ATOM 908 O SER A 362 -1.548 -9.910 4.987 1.00 0.44 O ATOM 909 CB SER A 362 -3.024 -11.708 2.681 1.00 0.47 C ATOM 910 OG SER A 362 -4.004 -11.682 1.654 1.00 1.00 O ATOM 911 HA SER A 362 -4.365 -11.262 4.280 1.00 0.00 H ATOM 912 HB2 SER A 362 -2.892 -12.734 3.024 1.00 0.00 H ATOM 913 HB3 SER A 362 -2.080 -11.335 2.284 1.00 0.00 H ATOM 914 HG SER A 362 -3.707 -12.252 0.901 1.00 0.00 H ATOM 915 H SER A 362 -2.952 -8.952 2.937 1.00 0.00 H ATOM 916 N PRO A 363 -2.399 -11.805 5.855 1.00 0.46 N ATOM 917 CA PRO A 363 -1.502 -11.834 7.018 1.00 0.48 C ATOM 918 C PRO A 363 -0.019 -11.956 6.654 1.00 0.45 C ATOM 919 O PRO A 363 0.848 -11.645 7.469 1.00 0.66 O ATOM 920 CB PRO A 363 -1.963 -13.069 7.799 1.00 0.58 C ATOM 921 CG PRO A 363 -2.665 -13.919 6.801 1.00 0.60 C ATOM 922 CD PRO A 363 -3.303 -12.970 5.830 1.00 0.53 C ATOM 923 HA PRO A 363 -1.563 -10.901 7.578 1.00 0.00 H ATOM 924 HD3 PRO A 363 -3.352 -13.406 4.832 1.00 0.00 H ATOM 925 HD2 PRO A 363 -4.306 -12.694 6.155 1.00 0.00 H ATOM 926 HG3 PRO A 363 -3.424 -14.530 7.290 1.00 0.00 H ATOM 927 HG2 PRO A 363 -1.955 -14.567 6.287 1.00 0.00 H ATOM 928 HB2 PRO A 363 -1.107 -13.598 8.219 1.00 0.00 H ATOM 929 HB3 PRO A 363 -2.641 -12.783 8.603 1.00 0.00 H ATOM 930 N LYS A 364 0.275 -12.410 5.440 1.00 0.44 N ATOM 931 CA LYS A 364 1.663 -12.591 5.032 1.00 0.44 C ATOM 932 C LYS A 364 2.071 -11.580 3.959 1.00 0.37 C ATOM 933 O LYS A 364 3.247 -11.239 3.832 1.00 0.40 O ATOM 934 CB LYS A 364 1.890 -14.015 4.512 1.00 0.56 C ATOM 935 CG LYS A 364 3.356 -14.349 4.284 1.00 0.72 C ATOM 936 CD LYS A 364 3.541 -15.691 3.589 1.00 0.98 C ATOM 937 CE LYS A 364 3.325 -15.595 2.082 1.00 1.26 C ATOM 938 NZ LYS A 364 1.894 -15.420 1.712 1.00 2.08 N ATOM 939 HA LYS A 364 2.284 -12.425 5.912 1.00 0.00 H ATOM 940 HB2 LYS A 364 1.485 -14.718 5.240 1.00 0.00 H ATOM 941 HB3 LYS A 364 1.359 -14.127 3.567 1.00 0.00 H ATOM 942 HG2 LYS A 364 3.802 -13.569 3.666 1.00 0.00 H ATOM 943 HG3 LYS A 364 3.863 -14.380 5.248 1.00 0.00 H ATOM 944 HD2 LYS A 364 4.554 -16.047 3.777 1.00 0.00 H ATOM 945 HD3 LYS A 364 2.825 -16.402 4.002 1.00 0.00 H ATOM 946 HE2 LYS A 364 3.695 -16.509 1.618 1.00 0.00 H ATOM 947 HE3 LYS A 364 3.889 -14.743 1.703 1.00 0.00 H ATOM 948 HZ1 LYS A 364 1.345 -16.232 2.060 1.00 0.00 H ATOM 949 HZ2 LYS A 364 1.531 -14.545 2.141 1.00 0.00 H ATOM 950 HZ3 LYS A 364 1.809 -15.361 0.677 1.00 0.00 H ATOM 951 H LYS A 364 -0.492 -12.638 4.775 1.00 0.00 H ATOM 952 N SER A 365 1.112 -11.107 3.178 1.00 0.35 N ATOM 953 CA SER A 365 1.415 -10.192 2.085 1.00 0.34 C ATOM 954 C SER A 365 0.267 -9.218 1.841 1.00 0.32 C ATOM 955 O SER A 365 -0.905 -9.563 1.997 1.00 0.52 O ATOM 956 CB SER A 365 1.724 -10.984 0.812 1.00 0.40 C ATOM 957 OG SER A 365 2.804 -11.882 1.028 1.00 1.32 O ATOM 958 HA SER A 365 2.291 -9.607 2.364 1.00 0.00 H ATOM 959 HB2 SER A 365 1.989 -10.290 0.014 1.00 0.00 H ATOM 960 HB3 SER A 365 0.840 -11.551 0.520 1.00 0.00 H ATOM 961 HG SER A 365 2.565 -12.516 1.750 1.00 0.00 H ATOM 962 H SER A 365 0.127 -11.393 3.347 1.00 0.00 H ATOM 963 N PHE A 366 0.618 -8.004 1.454 1.00 0.19 N ATOM 964 CA PHE A 366 -0.357 -6.956 1.211 1.00 0.16 C ATOM 965 C PHE A 366 -0.243 -6.464 -0.229 1.00 0.16 C ATOM 966 O PHE A 366 0.862 -6.274 -0.740 1.00 0.28 O ATOM 967 CB PHE A 366 -0.135 -5.802 2.194 1.00 0.19 C ATOM 968 CG PHE A 366 -1.140 -4.692 2.075 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.410 -4.833 2.606 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.811 -3.508 1.439 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.336 -3.814 2.503 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.732 -2.486 1.332 1.00 0.29 C ATOM 973 CZ PHE A 366 -2.997 -2.639 1.865 1.00 0.30 C ATOM 974 HA PHE A 366 -1.360 -7.354 1.363 1.00 0.00 H ATOM 975 HB2 PHE A 366 -0.184 -6.201 3.207 1.00 0.00 H ATOM 976 HB3 PHE A 366 0.857 -5.386 2.016 1.00 0.00 H ATOM 977 HD2 PHE A 366 0.186 -3.381 1.018 1.00 0.00 H ATOM 978 HE2 PHE A 366 -1.461 -1.559 0.827 1.00 0.00 H ATOM 979 HZ PHE A 366 -3.726 -1.833 1.782 1.00 0.00 H ATOM 980 HE1 PHE A 366 -4.333 -3.938 2.925 1.00 0.00 H ATOM 981 HD1 PHE A 366 -2.683 -5.759 3.112 1.00 0.00 H ATOM 982 H PHE A 366 1.627 -7.792 1.319 1.00 0.00 H ATOM 983 N THR A 367 -1.381 -6.275 -0.879 1.00 0.17 N ATOM 984 CA THR A 367 -1.404 -5.816 -2.260 1.00 0.19 C ATOM 985 C THR A 367 -2.239 -4.544 -2.403 1.00 0.19 C ATOM 986 O THR A 367 -3.358 -4.469 -1.904 1.00 0.27 O ATOM 987 CB THR A 367 -1.963 -6.909 -3.199 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.122 -8.071 -3.153 1.00 0.34 O ATOM 989 CG2 THR A 367 -2.059 -6.413 -4.637 1.00 0.32 C ATOM 990 HA THR A 367 -0.375 -5.597 -2.546 1.00 0.00 H ATOM 991 HB THR A 367 -2.966 -7.162 -2.855 1.00 0.00 H ATOM 992 HG1 THR A 367 -0.208 -7.827 -3.444 1.00 0.00 H ATOM 993 HG23 THR A 367 -2.697 -5.530 -4.674 1.00 0.00 H ATOM 994 HG21 THR A 367 -1.063 -6.158 -4.999 1.00 0.00 H ATOM 995 HG22 THR A 367 -2.485 -7.197 -5.263 1.00 0.00 H ATOM 996 H THR A 367 -2.281 -6.459 -0.391 1.00 0.00 H ATOM 997 N LEU A 368 -1.668 -3.544 -3.061 1.00 0.20 N ATOM 998 CA LEU A 368 -2.380 -2.313 -3.373 1.00 0.22 C ATOM 999 C LEU A 368 -2.723 -2.261 -4.856 1.00 0.23 C ATOM 1000 O LEU A 368 -1.833 -2.295 -5.711 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.537 -1.092 -2.993 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.574 -0.707 -1.514 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.526 0.355 -1.214 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -2.960 -0.204 -1.136 1.00 0.25 C ATOM 1005 HA LEU A 368 -3.303 -2.297 -2.793 1.00 0.00 H ATOM 1006 HB2 LEU A 368 -0.501 -1.301 -3.261 1.00 0.00 H ATOM 1007 HB3 LEU A 368 -1.896 -0.241 -3.572 1.00 0.00 H ATOM 1008 HG LEU A 368 -1.349 -1.592 -0.919 1.00 0.00 H ATOM 1009 HD21 LEU A 368 -3.205 0.670 -1.739 1.00 0.00 H ATOM 1010 HD22 LEU A 368 -3.693 -0.990 -1.319 1.00 0.00 H ATOM 1011 HD23 LEU A 368 -2.972 0.066 -0.080 1.00 0.00 H ATOM 1012 HD11 LEU A 368 0.463 -0.034 -1.455 1.00 0.00 H ATOM 1013 HD12 LEU A 368 -0.726 1.241 -1.817 1.00 0.00 H ATOM 1014 HD13 LEU A 368 -0.568 0.616 -0.157 1.00 0.00 H ATOM 1015 H LEU A 368 -0.678 -3.643 -3.364 1.00 0.00 H ATOM 1016 N ASP A 369 -4.012 -2.189 -5.154 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.482 -2.107 -6.530 1.00 0.24 C ATOM 1018 C ASP A 369 -4.710 -0.656 -6.920 1.00 0.21 C ATOM 1019 O ASP A 369 -5.684 -0.029 -6.491 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.785 -2.892 -6.714 1.00 0.31 C ATOM 1021 CG ASP A 369 -5.619 -4.397 -6.587 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -5.039 -4.843 -5.575 1.00 1.52 O ATOM 1023 OD2 ASP A 369 -6.052 -5.129 -7.499 1.00 1.47 O ATOM 1024 HA ASP A 369 -3.717 -2.543 -7.172 1.00 0.00 H ATOM 1025 HB2 ASP A 369 -6.496 -2.560 -5.958 1.00 0.00 H ATOM 1026 HB3 ASP A 369 -6.181 -2.672 -7.705 1.00 0.00 H ATOM 1027 H ASP A 369 -4.709 -2.191 -4.382 1.00 0.00 H ATOM 1028 N PHE A 370 -3.812 -0.120 -7.731 1.00 0.25 N ATOM 1029 CA PHE A 370 -3.907 1.269 -8.164 1.00 0.26 C ATOM 1030 C PHE A 370 -4.661 1.375 -9.481 1.00 0.31 C ATOM 1031 O PHE A 370 -4.693 2.432 -10.111 1.00 0.35 O ATOM 1032 CB PHE A 370 -2.512 1.880 -8.298 1.00 0.31 C ATOM 1033 CG PHE A 370 -1.738 1.855 -7.013 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.078 2.703 -5.971 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -0.681 0.979 -6.843 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -1.378 2.675 -4.782 1.00 0.41 C ATOM 1037 CE2 PHE A 370 0.025 0.949 -5.656 1.00 0.42 C ATOM 1038 CZ PHE A 370 -0.325 1.796 -4.626 1.00 0.44 C ATOM 1039 HA PHE A 370 -4.462 1.825 -7.408 1.00 0.00 H ATOM 1040 HB2 PHE A 370 -1.957 1.319 -9.050 1.00 0.00 H ATOM 1041 HB3 PHE A 370 -2.615 2.916 -8.622 1.00 0.00 H ATOM 1042 HD2 PHE A 370 -0.402 0.306 -7.654 1.00 0.00 H ATOM 1043 HE2 PHE A 370 0.858 0.256 -5.534 1.00 0.00 H ATOM 1044 HZ PHE A 370 0.230 1.772 -3.688 1.00 0.00 H ATOM 1045 HE1 PHE A 370 -1.656 3.345 -3.968 1.00 0.00 H ATOM 1046 HD1 PHE A 370 -2.907 3.400 -6.092 1.00 0.00 H ATOM 1047 H PHE A 370 -3.020 -0.703 -8.068 1.00 0.00 H ATOM 1048 N GLY A 371 -5.268 0.268 -9.885 1.00 0.40 N ATOM 1049 CA GLY A 371 -6.068 0.256 -11.090 1.00 0.50 C ATOM 1050 C GLY A 371 -5.244 0.463 -12.342 1.00 0.49 C ATOM 1051 O GLY A 371 -4.291 -0.274 -12.604 1.00 0.58 O ATOM 1052 HA3 GLY A 371 -6.809 1.053 -11.025 1.00 0.00 H ATOM 1053 HA2 GLY A 371 -6.576 -0.706 -11.162 1.00 0.00 H ATOM 1054 H GLY A 371 -5.168 -0.604 -9.328 1.00 0.00 H ATOM 1055 N ASP A 372 -5.598 1.491 -13.093 1.00 0.49 N ATOM 1056 CA ASP A 372 -4.976 1.765 -14.380 1.00 0.56 C ATOM 1057 C ASP A 372 -3.963 2.896 -14.263 1.00 0.55 C ATOM 1058 O ASP A 372 -3.726 3.632 -15.220 1.00 0.72 O ATOM 1059 CB ASP A 372 -6.046 2.131 -15.410 1.00 0.71 C ATOM 1060 CG ASP A 372 -6.948 0.965 -15.759 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -7.830 0.618 -14.946 1.00 2.38 O ATOM 1062 OD2 ASP A 372 -6.785 0.391 -16.856 1.00 1.89 O ATOM 1063 HA ASP A 372 -4.453 0.866 -14.706 1.00 0.00 H ATOM 1064 HB2 ASP A 372 -6.659 2.937 -15.005 1.00 0.00 H ATOM 1065 HB3 ASP A 372 -5.552 2.474 -16.319 1.00 0.00 H ATOM 1066 H ASP A 372 -6.347 2.127 -12.752 1.00 0.00 H ATOM 1067 N TYR A 373 -3.355 3.020 -13.094 1.00 0.52 N ATOM 1068 CA TYR A 373 -2.361 4.059 -12.854 1.00 0.51 C ATOM 1069 C TYR A 373 -0.980 3.580 -13.291 1.00 0.52 C ATOM 1070 O TYR A 373 -0.116 4.379 -13.650 1.00 0.60 O ATOM 1071 CB TYR A 373 -2.347 4.433 -11.369 1.00 0.50 C ATOM 1072 CG TYR A 373 -1.467 5.618 -11.026 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -1.938 6.918 -11.155 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -0.171 5.435 -10.559 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.145 8.002 -10.825 1.00 0.64 C ATOM 1076 CE2 TYR A 373 0.629 6.514 -10.234 1.00 0.64 C ATOM 1077 CZ TYR A 373 0.137 7.793 -10.366 1.00 0.67 C ATOM 1078 OH TYR A 373 0.930 8.868 -10.029 1.00 0.79 O ATOM 1079 HA TYR A 373 -2.623 4.941 -13.439 1.00 0.00 H ATOM 1080 HB3 TYR A 373 -1.992 3.571 -10.804 1.00 0.00 H ATOM 1081 HB2 TYR A 373 -3.368 4.668 -11.068 1.00 0.00 H ATOM 1082 HD2 TYR A 373 0.221 4.424 -10.447 1.00 0.00 H ATOM 1083 HE2 TYR A 373 1.645 6.353 -9.875 1.00 0.00 H ATOM 1084 HE1 TYR A 373 -1.532 9.016 -10.927 1.00 0.00 H ATOM 1085 HD1 TYR A 373 -2.950 7.087 -11.523 1.00 0.00 H ATOM 1086 HH TYR A 373 0.428 9.708 -10.182 1.00 0.00 H ATOM 1087 H TYR A 373 -3.592 2.359 -12.327 1.00 0.00 H ATOM 1088 N GLN A 374 -0.794 2.269 -13.273 1.00 0.53 N ATOM 1089 CA GLN A 374 0.471 1.662 -13.657 1.00 0.59 C ATOM 1090 C GLN A 374 0.228 0.227 -14.101 1.00 0.60 C ATOM 1091 O GLN A 374 -0.905 -0.251 -14.054 1.00 0.59 O ATOM 1092 CB GLN A 374 1.466 1.694 -12.491 1.00 0.63 C ATOM 1093 CG GLN A 374 0.979 0.966 -11.248 1.00 0.59 C ATOM 1094 CD GLN A 374 2.025 0.906 -10.150 1.00 0.69 C ATOM 1095 OE1 GLN A 374 2.065 -0.045 -9.371 1.00 1.09 O ATOM 1096 NE2 GLN A 374 2.880 1.915 -10.077 1.00 0.85 N ATOM 1097 HA GLN A 374 0.899 2.231 -14.482 1.00 0.00 H ATOM 1098 HB2 GLN A 374 2.396 1.229 -12.819 1.00 0.00 H ATOM 1099 HB3 GLN A 374 1.654 2.735 -12.228 1.00 0.00 H ATOM 1100 HG2 GLN A 374 0.100 1.484 -10.863 1.00 0.00 H ATOM 1101 HG3 GLN A 374 0.707 -0.052 -11.525 1.00 0.00 H ATOM 1102 HE22 GLN A 374 2.815 2.702 -10.754 1.00 0.00 H ATOM 1103 HE21 GLN A 374 3.617 1.920 -9.343 1.00 0.00 H ATOM 1104 H GLN A 374 -1.578 1.654 -12.975 1.00 0.00 H ATOM 1105 N ASP A 375 1.282 -0.457 -14.523 1.00 0.74 N ATOM 1106 CA ASP A 375 1.159 -1.837 -14.973 1.00 0.78 C ATOM 1107 C ASP A 375 1.221 -2.782 -13.786 1.00 0.64 C ATOM 1108 O ASP A 375 2.263 -2.918 -13.139 1.00 0.73 O ATOM 1109 CB ASP A 375 2.263 -2.199 -15.972 1.00 1.06 C ATOM 1110 CG ASP A 375 2.164 -1.431 -17.275 1.00 1.71 C ATOM 1111 OD1 ASP A 375 1.295 -1.771 -18.107 1.00 2.21 O ATOM 1112 OD2 ASP A 375 2.942 -0.469 -17.468 1.00 2.30 O ATOM 1113 HA ASP A 375 0.196 -1.938 -15.473 1.00 0.00 H ATOM 1114 HB2 ASP A 375 3.229 -1.983 -15.515 1.00 0.00 H ATOM 1115 HB3 ASP A 375 2.196 -3.265 -16.192 1.00 0.00 H ATOM 1116 H ASP A 375 2.216 0.001 -14.533 1.00 0.00 H ATOM 1117 N GLY A 376 0.105 -3.428 -13.500 1.00 0.57 N ATOM 1118 CA GLY A 376 0.050 -4.348 -12.386 1.00 0.53 C ATOM 1119 C GLY A 376 -0.291 -3.651 -11.086 1.00 0.52 C ATOM 1120 O GLY A 376 -0.783 -2.521 -11.087 1.00 0.70 O ATOM 1121 HA3 GLY A 376 1.021 -4.832 -12.281 1.00 0.00 H ATOM 1122 HA2 GLY A 376 -0.710 -5.102 -12.590 1.00 0.00 H ATOM 1123 H GLY A 376 -0.743 -3.273 -14.082 1.00 0.00 H ATOM 1124 N TYR A 377 -0.023 -4.322 -9.978 1.00 0.46 N ATOM 1125 CA TYR A 377 -0.342 -3.790 -8.663 1.00 0.46 C ATOM 1126 C TYR A 377 0.920 -3.678 -7.818 1.00 0.37 C ATOM 1127 O TYR A 377 2.035 -3.810 -8.326 1.00 0.38 O ATOM 1128 CB TYR A 377 -1.362 -4.692 -7.960 1.00 0.53 C ATOM 1129 CG TYR A 377 -2.595 -4.981 -8.786 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -3.294 -3.956 -9.411 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -3.061 -6.280 -8.938 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -4.420 -4.217 -10.164 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -4.188 -6.550 -9.691 1.00 0.76 C ATOM 1134 CZ TYR A 377 -4.862 -5.514 -10.302 1.00 0.91 C ATOM 1135 OH TYR A 377 -5.991 -5.775 -11.044 1.00 1.06 O ATOM 1136 HA TYR A 377 -0.773 -2.797 -8.786 1.00 0.00 H ATOM 1137 HB3 TYR A 377 -1.674 -4.204 -7.037 1.00 0.00 H ATOM 1138 HB2 TYR A 377 -0.877 -5.639 -7.723 1.00 0.00 H ATOM 1139 HD2 TYR A 377 -2.529 -7.100 -8.456 1.00 0.00 H ATOM 1140 HE2 TYR A 377 -4.542 -7.575 -9.801 1.00 0.00 H ATOM 1141 HE1 TYR A 377 -4.957 -3.401 -10.647 1.00 0.00 H ATOM 1142 HD1 TYR A 377 -2.947 -2.928 -9.305 1.00 0.00 H ATOM 1143 HH TYR A 377 -6.348 -4.927 -11.410 1.00 0.00 H ATOM 1144 H TYR A 377 0.428 -5.256 -10.049 1.00 0.00 H ATOM 1145 N TYR A 378 0.744 -3.432 -6.533 1.00 0.32 N ATOM 1146 CA TYR A 378 1.865 -3.326 -5.615 1.00 0.29 C ATOM 1147 C TYR A 378 1.719 -4.348 -4.493 1.00 0.24 C ATOM 1148 O TYR A 378 0.911 -4.170 -3.583 1.00 0.26 O ATOM 1149 CB TYR A 378 1.944 -1.902 -5.053 1.00 0.31 C ATOM 1150 CG TYR A 378 3.045 -1.693 -4.042 1.00 0.32 C ATOM 1151 CD1 TYR A 378 4.353 -2.065 -4.320 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.773 -1.118 -2.808 1.00 0.37 C ATOM 1153 CE1 TYR A 378 5.357 -1.872 -3.393 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.772 -0.920 -1.879 1.00 0.40 C ATOM 1155 CZ TYR A 378 5.061 -1.300 -2.175 1.00 0.41 C ATOM 1156 OH TYR A 378 6.061 -1.104 -1.249 1.00 0.47 O ATOM 1157 HA TYR A 378 2.791 -3.537 -6.149 1.00 0.00 H ATOM 1158 HB3 TYR A 378 0.992 -1.670 -4.575 1.00 0.00 H ATOM 1159 HB2 TYR A 378 2.108 -1.216 -5.884 1.00 0.00 H ATOM 1160 HD2 TYR A 378 1.753 -0.818 -2.570 1.00 0.00 H ATOM 1161 HE2 TYR A 378 3.542 -0.465 -0.916 1.00 0.00 H ATOM 1162 HE1 TYR A 378 6.380 -2.171 -3.623 1.00 0.00 H ATOM 1163 HD1 TYR A 378 4.590 -2.516 -5.284 1.00 0.00 H ATOM 1164 HH TYR A 378 6.920 -1.430 -1.618 1.00 0.00 H ATOM 1165 H TYR A 378 -0.222 -3.311 -6.168 1.00 0.00 H ATOM 1166 N SER A 379 2.486 -5.425 -4.580 1.00 0.26 N ATOM 1167 CA SER A 379 2.398 -6.509 -3.612 1.00 0.27 C ATOM 1168 C SER A 379 3.682 -6.617 -2.796 1.00 0.24 C ATOM 1169 O SER A 379 4.776 -6.715 -3.352 1.00 0.29 O ATOM 1170 CB SER A 379 2.124 -7.826 -4.337 1.00 0.36 C ATOM 1171 OG SER A 379 0.963 -7.724 -5.147 1.00 1.06 O ATOM 1172 HA SER A 379 1.578 -6.296 -2.927 1.00 0.00 H ATOM 1173 HB2 SER A 379 1.978 -8.616 -3.600 1.00 0.00 H ATOM 1174 HB3 SER A 379 2.979 -8.072 -4.967 1.00 0.00 H ATOM 1175 HG SER A 379 0.183 -7.504 -4.578 1.00 0.00 H ATOM 1176 H SER A 379 3.169 -5.498 -5.361 1.00 0.00 H ATOM 1177 N VAL A 380 3.538 -6.594 -1.479 1.00 0.22 N ATOM 1178 CA VAL A 380 4.680 -6.679 -0.578 1.00 0.24 C ATOM 1179 C VAL A 380 4.433 -7.685 0.535 1.00 0.23 C ATOM 1180 O VAL A 380 3.298 -7.893 0.960 1.00 0.30 O ATOM 1181 CB VAL A 380 5.012 -5.314 0.051 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.662 -4.404 -0.971 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.762 -4.659 0.624 1.00 0.29 C ATOM 1184 HA VAL A 380 5.526 -7.007 -1.183 1.00 0.00 H ATOM 1185 HB VAL A 380 5.714 -5.480 0.868 1.00 0.00 H ATOM 1186 HG11 VAL A 380 6.583 -4.863 -1.330 1.00 0.00 H ATOM 1187 HG12 VAL A 380 4.979 -4.253 -1.807 1.00 0.00 H ATOM 1188 HG13 VAL A 380 5.889 -3.444 -0.508 1.00 0.00 H ATOM 1189 HG21 VAL A 380 3.034 -4.510 -0.173 1.00 0.00 H ATOM 1190 HG22 VAL A 380 3.335 -5.304 1.392 1.00 0.00 H ATOM 1191 HG23 VAL A 380 4.026 -3.696 1.062 1.00 0.00 H ATOM 1192 H VAL A 380 2.582 -6.513 -1.077 1.00 0.00 H ATOM 1193 N GLN A 381 5.504 -8.305 1.006 1.00 0.22 N ATOM 1194 CA GLN A 381 5.411 -9.271 2.086 1.00 0.24 C ATOM 1195 C GLN A 381 5.551 -8.566 3.430 1.00 0.24 C ATOM 1196 O GLN A 381 6.472 -7.770 3.627 1.00 0.32 O ATOM 1197 CB GLN A 381 6.495 -10.339 1.937 1.00 0.34 C ATOM 1198 CG GLN A 381 6.363 -11.482 2.927 1.00 0.43 C ATOM 1199 CD GLN A 381 7.483 -12.494 2.808 1.00 0.72 C ATOM 1200 OE1 GLN A 381 8.509 -12.384 3.476 1.00 1.47 O ATOM 1201 NE2 GLN A 381 7.297 -13.481 1.948 1.00 0.94 N ATOM 1202 HA GLN A 381 4.436 -9.755 2.040 1.00 0.00 H ATOM 1203 HB2 GLN A 381 6.439 -10.748 0.928 1.00 0.00 H ATOM 1204 HB3 GLN A 381 7.467 -9.867 2.083 1.00 0.00 H ATOM 1205 HG2 GLN A 381 6.370 -11.071 3.937 1.00 0.00 H ATOM 1206 HG3 GLN A 381 5.415 -11.989 2.749 1.00 0.00 H ATOM 1207 HE22 GLN A 381 6.413 -13.536 1.403 1.00 0.00 H ATOM 1208 HE21 GLN A 381 8.035 -14.202 1.817 1.00 0.00 H ATOM 1209 H GLN A 381 6.435 -8.095 0.592 1.00 0.00 H ATOM 1210 N THR A 382 4.632 -8.852 4.340 1.00 0.21 N ATOM 1211 CA THR A 382 4.637 -8.250 5.663 1.00 0.26 C ATOM 1212 C THR A 382 3.506 -8.832 6.507 1.00 0.25 C ATOM 1213 O THR A 382 2.436 -9.154 5.987 1.00 0.30 O ATOM 1214 CB THR A 382 4.489 -6.710 5.593 1.00 0.30 C ATOM 1215 OG1 THR A 382 4.538 -6.146 6.909 1.00 0.42 O ATOM 1216 CG2 THR A 382 3.183 -6.312 4.916 1.00 0.28 C ATOM 1217 HA THR A 382 5.598 -8.478 6.124 1.00 0.00 H ATOM 1218 HB THR A 382 5.318 -6.323 5.001 1.00 0.00 H ATOM 1219 HG1 THR A 382 4.442 -5.162 6.849 1.00 0.00 H ATOM 1220 HG23 THR A 382 3.148 -6.742 3.915 1.00 0.00 H ATOM 1221 HG21 THR A 382 2.343 -6.684 5.502 1.00 0.00 H ATOM 1222 HG22 THR A 382 3.127 -5.226 4.848 1.00 0.00 H ATOM 1223 H THR A 382 3.881 -9.530 4.100 1.00 0.00 H ATOM 1224 N THR A 383 3.745 -8.973 7.801 1.00 0.31 N ATOM 1225 CA THR A 383 2.731 -9.488 8.705 1.00 0.37 C ATOM 1226 C THR A 383 1.815 -8.367 9.190 1.00 0.36 C ATOM 1227 O THR A 383 0.824 -8.610 9.879 1.00 0.46 O ATOM 1228 CB THR A 383 3.372 -10.198 9.911 1.00 0.50 C ATOM 1229 OG1 THR A 383 4.362 -9.349 10.512 1.00 0.55 O ATOM 1230 CG2 THR A 383 4.014 -11.511 9.487 1.00 0.55 C ATOM 1231 HA THR A 383 2.136 -10.214 8.151 1.00 0.00 H ATOM 1232 HB THR A 383 2.588 -10.412 10.637 1.00 0.00 H ATOM 1233 HG1 THR A 383 4.768 -9.814 11.286 1.00 0.00 H ATOM 1234 HG23 THR A 383 3.260 -12.152 9.031 1.00 0.00 H ATOM 1235 HG21 THR A 383 4.806 -11.310 8.765 1.00 0.00 H ATOM 1236 HG22 THR A 383 4.435 -12.007 10.362 1.00 0.00 H ATOM 1237 H THR A 383 4.678 -8.710 8.178 1.00 0.00 H ATOM 1238 N GLU A 384 2.143 -7.140 8.806 1.00 0.31 N ATOM 1239 CA GLU A 384 1.365 -5.975 9.203 1.00 0.35 C ATOM 1240 C GLU A 384 0.387 -5.580 8.097 1.00 0.28 C ATOM 1241 O GLU A 384 -0.101 -4.452 8.066 1.00 0.27 O ATOM 1242 CB GLU A 384 2.302 -4.804 9.522 1.00 0.46 C ATOM 1243 CG GLU A 384 3.315 -5.115 10.613 1.00 0.57 C ATOM 1244 CD GLU A 384 4.219 -3.941 10.929 1.00 0.90 C ATOM 1245 OE1 GLU A 384 5.234 -3.758 10.227 1.00 0.95 O ATOM 1246 OE2 GLU A 384 3.926 -3.199 11.888 1.00 1.39 O ATOM 1247 HA GLU A 384 0.792 -6.227 10.096 1.00 0.00 H ATOM 1248 HB2 GLU A 384 2.843 -4.538 8.614 1.00 0.00 H ATOM 1249 HB3 GLU A 384 1.697 -3.956 9.844 1.00 0.00 H ATOM 1250 HG2 GLU A 384 2.777 -5.394 11.519 1.00 0.00 H ATOM 1251 HG3 GLU A 384 3.932 -5.952 10.287 1.00 0.00 H ATOM 1252 H GLU A 384 2.980 -7.006 8.204 1.00 0.00 H ATOM 1253 N GLY A 385 0.086 -6.531 7.214 1.00 0.27 N ATOM 1254 CA GLY A 385 -0.773 -6.269 6.069 1.00 0.27 C ATOM 1255 C GLY A 385 -2.116 -5.658 6.439 1.00 0.26 C ATOM 1256 O GLY A 385 -2.522 -4.649 5.859 1.00 0.27 O ATOM 1257 HA3 GLY A 385 -0.954 -7.211 5.552 1.00 0.00 H ATOM 1258 HA2 GLY A 385 -0.255 -5.582 5.400 1.00 0.00 H ATOM 1259 H GLY A 385 0.475 -7.486 7.347 1.00 0.00 H ATOM 1260 N GLU A 386 -2.804 -6.257 7.405 1.00 0.30 N ATOM 1261 CA GLU A 386 -4.113 -5.759 7.822 1.00 0.35 C ATOM 1262 C GLU A 386 -3.981 -4.397 8.500 1.00 0.31 C ATOM 1263 O GLU A 386 -4.845 -3.533 8.347 1.00 0.36 O ATOM 1264 CB GLU A 386 -4.806 -6.764 8.749 1.00 0.44 C ATOM 1265 CG GLU A 386 -6.199 -6.333 9.187 1.00 0.53 C ATOM 1266 CD GLU A 386 -6.979 -7.454 9.841 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -6.694 -7.781 11.011 1.00 2.28 O ATOM 1268 OE2 GLU A 386 -7.878 -8.021 9.184 1.00 1.77 O ATOM 1269 HA GLU A 386 -4.731 -5.637 6.932 1.00 0.00 H ATOM 1270 HB2 GLU A 386 -4.889 -7.716 8.224 1.00 0.00 H ATOM 1271 HB3 GLU A 386 -4.190 -6.893 9.639 1.00 0.00 H ATOM 1272 HG2 GLU A 386 -6.103 -5.513 9.899 1.00 0.00 H ATOM 1273 HG3 GLU A 386 -6.750 -5.989 8.311 1.00 0.00 H ATOM 1274 H GLU A 386 -2.404 -7.095 7.873 1.00 0.00 H ATOM 1275 N GLN A 387 -2.888 -4.201 9.233 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.609 -2.912 9.860 1.00 0.30 C ATOM 1277 C GLN A 387 -2.478 -1.818 8.805 1.00 0.27 C ATOM 1278 O GLN A 387 -2.979 -0.707 8.989 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.335 -2.979 10.708 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.516 -3.718 12.024 1.00 0.45 C ATOM 1281 CD GLN A 387 -0.247 -3.761 12.852 1.00 1.13 C ATOM 1282 OE1 GLN A 387 0.028 -2.850 13.634 1.00 2.27 O ATOM 1283 NE2 GLN A 387 0.527 -4.824 12.700 1.00 0.83 N ATOM 1284 HA GLN A 387 -3.447 -2.671 10.514 1.00 0.00 H ATOM 1285 HB2 GLN A 387 -0.563 -3.488 10.131 1.00 0.00 H ATOM 1286 HB3 GLN A 387 -1.012 -1.961 10.926 1.00 0.00 H ATOM 1287 HG2 GLN A 387 -2.292 -3.216 12.602 1.00 0.00 H ATOM 1288 HG3 GLN A 387 -1.827 -4.740 11.810 1.00 0.00 H ATOM 1289 HE22 GLN A 387 0.258 -5.571 12.028 1.00 0.00 H ATOM 1290 HE21 GLN A 387 1.404 -4.912 13.252 1.00 0.00 H ATOM 1291 H GLN A 387 -2.216 -4.984 9.362 1.00 0.00 H ATOM 1292 N ILE A 388 -1.811 -2.142 7.700 1.00 0.24 N ATOM 1293 CA ILE A 388 -1.679 -1.212 6.585 1.00 0.23 C ATOM 1294 C ILE A 388 -3.052 -0.877 6.020 1.00 0.22 C ATOM 1295 O ILE A 388 -3.420 0.291 5.894 1.00 0.22 O ATOM 1296 CB ILE A 388 -0.804 -1.793 5.452 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.547 -2.253 5.997 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.608 -0.757 4.354 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.415 -2.944 4.966 1.00 0.29 C ATOM 1300 HA ILE A 388 -1.197 -0.313 6.970 1.00 0.00 H ATOM 1301 HB ILE A 388 -1.315 -2.658 5.030 1.00 0.00 H ATOM 1302 HG12 ILE A 388 1.083 -1.380 6.370 1.00 0.00 H ATOM 1303 HG13 ILE A 388 0.369 -2.947 6.818 1.00 0.00 H ATOM 1304 HD11 ILE A 388 0.898 -3.827 4.590 1.00 0.00 H ATOM 1305 HD12 ILE A 388 1.613 -2.259 4.142 1.00 0.00 H ATOM 1306 HD13 ILE A 388 2.357 -3.242 5.427 1.00 0.00 H ATOM 1307 HG21 ILE A 388 -1.578 -0.474 3.946 1.00 0.00 H ATOM 1308 HG22 ILE A 388 -0.116 0.122 4.770 1.00 0.00 H ATOM 1309 HG23 ILE A 388 0.010 -1.181 3.563 1.00 0.00 H ATOM 1310 H ILE A 388 -1.373 -3.083 7.630 1.00 0.00 H ATOM 1311 N ALA A 389 -3.809 -1.923 5.704 1.00 0.22 N ATOM 1312 CA ALA A 389 -5.152 -1.779 5.158 1.00 0.24 C ATOM 1313 C ALA A 389 -6.023 -0.905 6.052 1.00 0.22 C ATOM 1314 O ALA A 389 -6.668 0.036 5.585 1.00 0.23 O ATOM 1315 CB ALA A 389 -5.789 -3.148 4.995 1.00 0.28 C ATOM 1316 HA ALA A 389 -5.073 -1.293 4.185 1.00 0.00 H ATOM 1317 HB1 ALA A 389 -5.185 -3.750 4.316 1.00 0.00 H ATOM 1318 HB2 ALA A 389 -5.844 -3.640 5.966 1.00 0.00 H ATOM 1319 HB3 ALA A 389 -6.793 -3.034 4.586 1.00 0.00 H ATOM 1320 H ALA A 389 -3.428 -2.880 5.852 1.00 0.00 H ATOM 1321 N GLN A 390 -6.023 -1.223 7.340 1.00 0.22 N ATOM 1322 CA GLN A 390 -6.813 -0.496 8.322 1.00 0.25 C ATOM 1323 C GLN A 390 -6.404 0.971 8.378 1.00 0.21 C ATOM 1324 O GLN A 390 -7.245 1.856 8.536 1.00 0.23 O ATOM 1325 CB GLN A 390 -6.652 -1.138 9.701 1.00 0.34 C ATOM 1326 CG GLN A 390 -7.396 -0.413 10.808 1.00 0.50 C ATOM 1327 CD GLN A 390 -7.153 -1.035 12.166 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -6.210 -0.670 12.869 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -8.005 -1.969 12.549 1.00 1.61 N ATOM 1330 HA GLN A 390 -7.860 -0.545 8.021 1.00 0.00 H ATOM 1331 HB2 GLN A 390 -7.025 -2.161 9.649 1.00 0.00 H ATOM 1332 HB3 GLN A 390 -5.591 -1.152 9.952 1.00 0.00 H ATOM 1333 HG2 GLN A 390 -7.064 0.625 10.833 1.00 0.00 H ATOM 1334 HG3 GLN A 390 -8.464 -0.446 10.593 1.00 0.00 H ATOM 1335 HE22 GLN A 390 -8.788 -2.247 11.923 1.00 0.00 H ATOM 1336 HE21 GLN A 390 -7.893 -2.426 13.476 1.00 0.00 H ATOM 1337 H GLN A 390 -5.437 -2.021 7.659 1.00 0.00 H ATOM 1338 N LEU A 391 -5.111 1.231 8.243 1.00 0.21 N ATOM 1339 CA LEU A 391 -4.609 2.592 8.325 1.00 0.22 C ATOM 1340 C LEU A 391 -4.980 3.380 7.071 1.00 0.20 C ATOM 1341 O LEU A 391 -5.392 4.536 7.159 1.00 0.22 O ATOM 1342 CB LEU A 391 -3.094 2.603 8.534 1.00 0.26 C ATOM 1343 CG LEU A 391 -2.515 3.965 8.907 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -3.090 4.445 10.232 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -1.000 3.904 8.976 1.00 0.63 C ATOM 1346 HA LEU A 391 -5.076 3.072 9.185 1.00 0.00 H ATOM 1347 HB2 LEU A 391 -2.855 1.901 9.333 1.00 0.00 H ATOM 1348 HB3 LEU A 391 -2.620 2.273 7.609 1.00 0.00 H ATOM 1349 HG LEU A 391 -2.793 4.678 8.131 1.00 0.00 H ATOM 1350 HD21 LEU A 391 -0.701 3.175 9.729 1.00 0.00 H ATOM 1351 HD22 LEU A 391 -0.605 3.607 8.004 1.00 0.00 H ATOM 1352 HD23 LEU A 391 -0.610 4.886 9.243 1.00 0.00 H ATOM 1353 HD11 LEU A 391 -4.173 4.532 10.146 1.00 0.00 H ATOM 1354 HD12 LEU A 391 -2.842 3.728 11.015 1.00 0.00 H ATOM 1355 HD13 LEU A 391 -2.665 5.417 10.480 1.00 0.00 H ATOM 1356 H LEU A 391 -4.446 0.449 8.076 1.00 0.00 H ATOM 1357 N ILE A 392 -4.848 2.747 5.905 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.238 3.382 4.647 1.00 0.17 C ATOM 1359 C ILE A 392 -6.725 3.709 4.671 1.00 0.17 C ATOM 1360 O ILE A 392 -7.127 4.835 4.381 1.00 0.19 O ATOM 1361 CB ILE A 392 -4.935 2.490 3.421 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.446 2.140 3.371 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.358 3.192 2.132 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -3.074 1.218 2.232 1.00 0.21 C ATOM 1365 HA ILE A 392 -4.649 4.294 4.552 1.00 0.00 H ATOM 1366 HB ILE A 392 -5.507 1.567 3.517 1.00 0.00 H ATOM 1367 HG12 ILE A 392 -2.879 3.065 3.264 1.00 0.00 H ATOM 1368 HG13 ILE A 392 -3.175 1.655 4.309 1.00 0.00 H ATOM 1369 HD11 ILE A 392 -3.624 0.282 2.329 1.00 0.00 H ATOM 1370 HD12 ILE A 392 -3.327 1.693 1.284 1.00 0.00 H ATOM 1371 HD13 ILE A 392 -2.003 1.017 2.264 1.00 0.00 H ATOM 1372 HG21 ILE A 392 -6.428 3.397 2.166 1.00 0.00 H ATOM 1373 HG22 ILE A 392 -4.810 4.129 2.033 1.00 0.00 H ATOM 1374 HG23 ILE A 392 -5.137 2.549 1.280 1.00 0.00 H ATOM 1375 H ILE A 392 -4.460 1.782 5.890 1.00 0.00 H ATOM 1376 N ALA A 393 -7.534 2.725 5.050 1.00 0.18 N ATOM 1377 CA ALA A 393 -8.975 2.915 5.154 1.00 0.21 C ATOM 1378 C ALA A 393 -9.304 3.978 6.200 1.00 0.23 C ATOM 1379 O ALA A 393 -10.303 4.680 6.087 1.00 0.29 O ATOM 1380 CB ALA A 393 -9.662 1.598 5.492 1.00 0.24 C ATOM 1381 HA ALA A 393 -9.347 3.260 4.189 1.00 0.00 H ATOM 1382 HB1 ALA A 393 -9.455 0.870 4.708 1.00 0.00 H ATOM 1383 HB2 ALA A 393 -9.283 1.226 6.444 1.00 0.00 H ATOM 1384 HB3 ALA A 393 -10.738 1.759 5.566 1.00 0.00 H ATOM 1385 H ALA A 393 -7.128 1.795 5.278 1.00 0.00 H ATOM 1386 N GLY A 394 -8.444 4.098 7.206 1.00 0.23 N ATOM 1387 CA GLY A 394 -8.625 5.108 8.231 1.00 0.27 C ATOM 1388 C GLY A 394 -8.422 6.512 7.695 1.00 0.28 C ATOM 1389 O GLY A 394 -9.237 7.401 7.945 1.00 0.35 O ATOM 1390 HA3 GLY A 394 -7.906 4.930 9.030 1.00 0.00 H ATOM 1391 HA2 GLY A 394 -9.636 5.027 8.629 1.00 0.00 H ATOM 1392 H GLY A 394 -7.627 3.457 7.259 1.00 0.00 H ATOM 1393 N TYR A 395 -7.337 6.711 6.954 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.065 8.003 6.333 1.00 0.30 C ATOM 1395 C TYR A 395 -8.098 8.303 5.256 1.00 0.30 C ATOM 1396 O TYR A 395 -8.557 9.439 5.113 1.00 0.36 O ATOM 1397 CB TYR A 395 -5.667 8.031 5.715 1.00 0.31 C ATOM 1398 CG TYR A 395 -4.539 7.945 6.719 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -4.500 8.778 7.831 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -3.506 7.038 6.546 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -3.461 8.704 8.741 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -2.467 6.961 7.449 1.00 0.51 C ATOM 1403 CZ TYR A 395 -2.447 7.793 8.543 1.00 0.58 C ATOM 1404 OH TYR A 395 -1.407 7.715 9.442 1.00 0.70 O ATOM 1405 HA TYR A 395 -7.121 8.764 7.112 1.00 0.00 H ATOM 1406 HB3 TYR A 395 -5.558 8.962 5.158 1.00 0.00 H ATOM 1407 HB2 TYR A 395 -5.580 7.187 5.030 1.00 0.00 H ATOM 1408 HD2 TYR A 395 -3.515 6.374 5.681 1.00 0.00 H ATOM 1409 HE2 TYR A 395 -1.663 6.242 7.296 1.00 0.00 H ATOM 1410 HE1 TYR A 395 -3.445 9.363 9.609 1.00 0.00 H ATOM 1411 HD1 TYR A 395 -5.301 9.501 7.988 1.00 0.00 H ATOM 1412 HH TYR A 395 -0.555 7.907 8.976 1.00 0.00 H ATOM 1413 H TYR A 395 -6.667 5.928 6.814 1.00 0.00 H ATOM 1414 N ILE A 396 -8.456 7.274 4.501 1.00 0.27 N ATOM 1415 CA ILE A 396 -9.470 7.391 3.465 1.00 0.31 C ATOM 1416 C ILE A 396 -10.822 7.748 4.074 1.00 0.37 C ATOM 1417 O ILE A 396 -11.575 8.522 3.499 1.00 0.45 O ATOM 1418 CB ILE A 396 -9.545 6.087 2.627 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -8.371 6.074 1.636 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -10.895 5.939 1.918 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -8.117 4.737 0.976 1.00 0.42 C ATOM 1422 HA ILE A 396 -9.190 8.201 2.791 1.00 0.00 H ATOM 1423 HB ILE A 396 -9.465 5.227 3.291 1.00 0.00 H ATOM 1424 HG12 ILE A 396 -8.578 6.805 0.854 1.00 0.00 H ATOM 1425 HG13 ILE A 396 -7.469 6.364 2.174 1.00 0.00 H ATOM 1426 HD11 ILE A 396 -7.894 3.993 1.740 1.00 0.00 H ATOM 1427 HD12 ILE A 396 -9.004 4.434 0.420 1.00 0.00 H ATOM 1428 HD13 ILE A 396 -7.271 4.825 0.294 1.00 0.00 H ATOM 1429 HG21 ILE A 396 -11.693 5.914 2.660 1.00 0.00 H ATOM 1430 HG22 ILE A 396 -11.047 6.785 1.248 1.00 0.00 H ATOM 1431 HG23 ILE A 396 -10.903 5.013 1.344 1.00 0.00 H ATOM 1432 H ILE A 396 -7.997 6.353 4.654 1.00 0.00 H ATOM 1433 N ASP A 397 -11.093 7.228 5.262 1.00 0.38 N ATOM 1434 CA ASP A 397 -12.326 7.543 5.986 1.00 0.47 C ATOM 1435 C ASP A 397 -12.422 9.039 6.295 1.00 0.51 C ATOM 1436 O ASP A 397 -13.514 9.599 6.365 1.00 0.63 O ATOM 1437 CB ASP A 397 -12.391 6.732 7.285 1.00 0.52 C ATOM 1438 CG ASP A 397 -13.607 7.060 8.125 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -14.726 6.664 7.735 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -13.449 7.722 9.172 1.00 0.99 O ATOM 1441 HA ASP A 397 -13.170 7.276 5.350 1.00 0.00 H ATOM 1442 HB2 ASP A 397 -12.418 5.672 7.032 1.00 0.00 H ATOM 1443 HB3 ASP A 397 -11.496 6.942 7.871 1.00 0.00 H ATOM 1444 H ASP A 397 -10.408 6.575 5.694 1.00 0.00 H ATOM 1445 N ILE A 398 -11.271 9.680 6.456 1.00 0.47 N ATOM 1446 CA ILE A 398 -11.220 11.110 6.750 1.00 0.53 C ATOM 1447 C ILE A 398 -11.563 11.932 5.504 1.00 0.55 C ATOM 1448 O ILE A 398 -12.167 13.001 5.595 1.00 0.65 O ATOM 1449 CB ILE A 398 -9.822 11.523 7.270 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -9.454 10.703 8.512 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -9.781 13.014 7.585 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -8.059 10.978 9.033 1.00 0.81 C ATOM 1453 HA ILE A 398 -11.958 11.311 7.527 1.00 0.00 H ATOM 1454 HB ILE A 398 -9.091 11.320 6.488 1.00 0.00 H ATOM 1455 HG12 ILE A 398 -10.168 10.935 9.302 1.00 0.00 H ATOM 1456 HG13 ILE A 398 -9.525 9.645 8.259 1.00 0.00 H ATOM 1457 HD11 ILE A 398 -7.330 10.740 8.259 1.00 0.00 H ATOM 1458 HD12 ILE A 398 -7.974 12.031 9.302 1.00 0.00 H ATOM 1459 HD13 ILE A 398 -7.873 10.361 9.912 1.00 0.00 H ATOM 1460 HG21 ILE A 398 -10.002 13.581 6.681 1.00 0.00 H ATOM 1461 HG22 ILE A 398 -10.523 13.243 8.350 1.00 0.00 H ATOM 1462 HG23 ILE A 398 -8.789 13.280 7.949 1.00 0.00 H ATOM 1463 H ILE A 398 -10.381 9.149 6.370 1.00 0.00 H ATOM 1464 N ILE A 399 -11.184 11.419 4.342 1.00 0.50 N ATOM 1465 CA ILE A 399 -11.432 12.112 3.081 1.00 0.52 C ATOM 1466 C ILE A 399 -12.791 11.716 2.511 1.00 0.59 C ATOM 1467 O ILE A 399 -13.433 12.484 1.793 1.00 0.72 O ATOM 1468 CB ILE A 399 -10.328 11.791 2.045 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -8.946 12.091 2.632 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -10.542 12.590 0.764 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -7.798 11.731 1.713 1.00 0.48 C ATOM 1472 HA ILE A 399 -11.424 13.183 3.285 1.00 0.00 H ATOM 1473 HB ILE A 399 -10.384 10.730 1.802 1.00 0.00 H ATOM 1474 HG12 ILE A 399 -8.890 13.157 2.851 1.00 0.00 H ATOM 1475 HG13 ILE A 399 -8.836 11.526 3.557 1.00 0.00 H ATOM 1476 HD11 ILE A 399 -7.831 10.664 1.493 1.00 0.00 H ATOM 1477 HD12 ILE A 399 -7.885 12.297 0.786 1.00 0.00 H ATOM 1478 HD13 ILE A 399 -6.854 11.974 2.201 1.00 0.00 H ATOM 1479 HG21 ILE A 399 -11.512 12.336 0.336 1.00 0.00 H ATOM 1480 HG22 ILE A 399 -10.512 13.655 0.993 1.00 0.00 H ATOM 1481 HG23 ILE A 399 -9.754 12.348 0.051 1.00 0.00 H ATOM 1482 H ILE A 399 -10.698 10.500 4.328 1.00 0.00 H ATOM 1483 N LEU A 400 -13.224 10.517 2.851 1.00 0.59 N ATOM 1484 CA LEU A 400 -14.454 9.957 2.326 1.00 0.73 C ATOM 1485 C LEU A 400 -15.626 10.290 3.243 1.00 0.90 C ATOM 1486 O LEU A 400 -16.239 11.361 3.057 1.00 1.31 O ATOM 1487 CB LEU A 400 -14.291 8.442 2.189 1.00 0.98 C ATOM 1488 CG LEU A 400 -15.375 7.719 1.400 1.00 0.82 C ATOM 1489 CD1 LEU A 400 -15.416 8.223 -0.033 1.00 1.48 C ATOM 1490 CD2 LEU A 400 -15.118 6.223 1.437 1.00 1.41 C ATOM 1491 HA LEU A 400 -14.663 10.389 1.347 1.00 0.00 H ATOM 1492 OXT LEU A 400 -15.925 9.487 4.154 1.00 1.56 O ATOM 1493 HB2 LEU A 400 -13.338 8.253 1.696 1.00 0.00 H ATOM 1494 HB3 LEU A 400 -14.270 8.017 3.193 1.00 0.00 H ATOM 1495 HG LEU A 400 -16.344 7.922 1.855 1.00 0.00 H ATOM 1496 HD21 LEU A 400 -14.145 6.012 0.994 1.00 0.00 H ATOM 1497 HD22 LEU A 400 -15.131 5.879 2.471 1.00 0.00 H ATOM 1498 HD23 LEU A 400 -15.895 5.708 0.872 1.00 0.00 H ATOM 1499 HD11 LEU A 400 -15.629 9.292 -0.035 1.00 0.00 H ATOM 1500 HD12 LEU A 400 -14.452 8.043 -0.508 1.00 0.00 H ATOM 1501 HD13 LEU A 400 -16.197 7.695 -0.580 1.00 0.00 H ATOM 1502 H LEU A 400 -12.662 9.953 3.520 1.00 0.00 H TER 1503 LEU A 400 HETATM 1504 N GLY A 1 -20.774 -15.998 -10.332 1.00 0.24 N HETATM 1505 CA GLY A 1 -20.728 -15.193 -9.088 1.00 0.05 C HETATM 1506 C GLY A 1 -19.457 -15.425 -8.301 1.00 0.22 C HETATM 1507 O GLY A 1 -19.307 -16.457 -7.644 1.00 -0.39 O HETATM 1508 N GLY A 1 -18.537 -14.474 -8.369 1.00 -0.26 N HETATM 1509 CA GLY A 1 -17.289 -14.564 -7.629 1.00 0.13 C HETATM 1510 C GLY A 1 -17.204 -13.429 -6.603 1.00 0.20 C HETATM 1511 O GLY A 1 -17.003 -12.272 -6.971 1.00 -0.39 O HETATM 1512 N GLY A 1 -17.370 -13.753 -5.325 1.00 -0.26 N HETATM 1513 CA GLY A 1 -17.326 -12.749 -4.276 1.00 0.15 C HETATM 1514 C GLY A 1 -15.887 -12.486 -3.841 1.00 0.21 C HETATM 1515 O GLY A 1 -15.007 -13.326 -4.038 1.00 -0.39 O HETATM 1516 N GLY A 1 -15.653 -11.318 -3.263 1.00 -0.26 N HETATM 1517 CA GLY A 1 -14.344 -10.973 -2.727 1.00 0.13 C HETATM 1518 C GLY A 1 -14.520 -10.221 -1.416 1.00 0.20 C HETATM 1519 O GLY A 1 -13.841 -9.236 -1.138 1.00 -0.39 O HETATM 1520 N GLY A 1 -15.443 -10.730 -0.613 1.00 -0.26 N HETATM 1521 CA GLY A 1 -15.808 -10.120 0.659 1.00 0.13 C HETATM 1522 C GLY A 1 -14.605 -9.973 1.587 1.00 0.20 C HETATM 1523 O GLY A 1 -14.275 -8.870 2.017 1.00 -0.39 O HETATM 1524 N GLY A 1 -13.956 -11.084 1.893 1.00 -0.26 N HETATM 1525 CA GLY A 1 -12.797 -11.065 2.767 1.00 0.15 C HETATM 1526 C GLY A 1 -11.516 -10.891 1.959 1.00 0.21 C HETATM 1527 O GLY A 1 -11.391 -11.418 0.850 1.00 -0.39 O HETATM 1528 N GLY A 1 -10.581 -10.125 2.506 1.00 -0.27 N HETATM 1529 CA GLY A 1 -9.304 -9.926 1.853 1.00 0.12 C HETATM 1530 C GLY A 1 -9.304 -8.724 0.931 1.00 0.20 C HETATM 1531 O GLY A 1 -8.408 -7.882 1.000 1.00 -0.39 O HETATM 1532 N GLY A 1 -10.315 -8.644 0.075 1.00 -0.26 N HETATM 1533 CA GLY A 1 -10.418 -7.566 -0.899 1.00 0.14 C HETATM 1534 C GLY A 1 -11.306 -6.448 -0.373 1.00 0.21 C HETATM 1535 O GLY A 1 -12.485 -6.651 -0.083 1.00 -0.39 O HETATM 1536 N GLY A 1 -10.724 -5.271 -0.246 1.00 -0.26 N HETATM 1537 CA GLY A 1 -11.452 -4.109 0.247 1.00 0.13 C HETATM 1538 C GLY A 1 -11.684 -3.121 -0.886 1.00 0.20 C HETATM 1539 O GLY A 1 -10.737 -2.663 -1.526 1.00 -0.39 O HETATM 1540 N GLY A 1 -12.947 -2.800 -1.125 1.00 -0.26 N HETATM 1541 CA GLY A 1 -13.332 -1.959 -2.247 1.00 0.13 C HETATM 1542 C GLY A 1 -13.430 -0.499 -1.821 1.00 0.20 C HETATM 1543 O GLY A 1 -14.367 -0.105 -1.124 1.00 -0.39 O HETATM 1544 N GLY A 1 -12.456 0.299 -2.237 1.00 -0.26 N HETATM 1545 CA GLY A 1 -12.443 1.721 -1.893 1.00 0.15 C HETATM 1546 C GLY A 1 -13.186 2.525 -2.951 1.00 0.21 C HETATM 1547 O GLY A 1 -13.334 2.077 -4.088 1.00 -0.39 O HETATM 1548 N GLY A 1 -13.650 3.714 -2.581 1.00 -0.26 N HETATM 1549 CA GLY A 1 -14.524 4.477 -3.451 1.00 0.13 C HETATM 1550 C GLY A 1 -13.972 5.849 -3.815 1.00 0.20 C HETATM 1551 O GLY A 1 -14.718 6.700 -4.303 1.00 -0.39 O HETATM 1552 N GLY A 1 -12.686 6.080 -3.622 1.00 -0.26 N HETATM 1553 CA GLY A 1 -12.125 7.371 -4.043 1.00 0.13 C HETATM 1554 C GLY A 1 -11.235 7.238 -5.267 1.00 0.20 C HETATM 1555 O GLY A 1 -10.513 8.170 -5.614 1.00 -0.39 O HETATM 1556 N GLY A 1 -11.315 6.101 -5.938 1.00 -0.26 N HETATM 1557 CA GLY A 1 -10.572 5.905 -7.176 1.00 0.14 C HETATM 1558 C GLY A 1 -11.257 6.662 -8.309 1.00 0.21 C HETATM 1559 O GLY A 1 -12.227 6.178 -8.897 1.00 -0.39 O HETATM 1560 N GLY A 1 -10.778 7.869 -8.578 1.00 -0.27 N HETATM 1561 CA GLY A 1 -11.368 8.724 -9.580 1.00 0.10 C HETATM 1562 C GLY A 1 -10.921 8.347 -11.002 1.00 0.06 C HETATM 1563 O GLY A 1 -11.315 7.263 -11.487 1.00 -0.57 O HETATM 1564 OXT GLY A 1 -10.217 9.145 -11.651 1.00 -0.57 O HETATM 1565 CB GLY A 1 -11.041 10.199 -9.241 1.00 0.01 C HETATM 1566 CG GLY A 1 -9.564 10.582 -9.125 1.00 -0.05 C HETATM 1567 CD1 GLY A 1 -8.526 9.693 -9.411 1.00 -0.07 C HETATM 1568 CE1 GLY A 1 -7.202 10.078 -9.298 1.00 -0.04 C HETATM 1569 CZ GLY A 1 -6.897 11.360 -8.895 1.00 0.08 C HETATM 1570 CE2 GLY A 1 -7.901 12.257 -8.608 1.00 -0.04 C HETATM 1571 CD2 GLY A 1 -9.220 11.867 -8.724 1.00 -0.07 C HETATM 1572 H113 GLY A 1 -10.005 12.579 -8.497 1.00 0.05 H HETATM 1573 H115 GLY A 1 -7.657 13.265 -8.292 1.00 0.05 H HETATM 1574 OH GLY A 1 -5.580 11.748 -8.770 1.00 -0.34 O HETATM 1575 H116 GLY A 1 -5.411 12.008 -7.872 1.00 0.25 H HETATM 1576 H114 GLY A 1 -6.409 9.375 -9.525 1.00 0.05 H HETATM 1577 H112 GLY A 1 -8.762 8.683 -9.727 1.00 0.05 H HETATM 1578 H110 GLY A 1 -11.519 10.430 -8.278 1.00 0.04 H HETATM 1579 H111 GLY A 1 -11.484 10.825 -10.030 1.00 0.04 H HETATM 1580 H109 GLY A 1 -12.460 8.598 -9.534 1.00 0.07 H HETATM 1581 H108 GLY A 1 -9.982 8.198 -8.070 1.00 0.19 H HETATM 1582 CB GLY A 1 -10.452 4.416 -7.519 1.00 0.02 C HETATM 1583 CG GLY A 1 -9.640 4.146 -8.764 1.00 -0.05 C HETATM 1584 CD1 GLY A 1 -8.283 4.431 -8.807 1.00 -0.07 C HETATM 1585 CE1 GLY A 1 -7.537 4.183 -9.939 1.00 -0.04 C HETATM 1586 CZ GLY A 1 -8.145 3.639 -11.050 1.00 0.08 C HETATM 1587 CE2 GLY A 1 -9.491 3.346 -11.033 1.00 -0.04 C HETATM 1588 CD2 GLY A 1 -10.230 3.601 -9.895 1.00 -0.07 C HETATM 1589 H104 GLY A 1 -11.289 3.371 -9.885 1.00 0.05 H HETATM 1590 H106 GLY A 1 -9.967 2.918 -11.908 1.00 0.05 H HETATM 1591 OH GLY A 1 -7.405 3.394 -12.185 1.00 -0.34 O HETATM 1592 H107 GLY A 1 -6.502 3.649 -12.034 1.00 0.25 H HETATM 1593 H105 GLY A 1 -6.478 4.414 -9.956 1.00 0.05 H HETATM 1594 H103 GLY A 1 -7.801 4.856 -7.934 1.00 0.05 H HETATM 1595 H101 GLY A 1 -11.464 4.011 -7.669 1.00 0.05 H HETATM 1596 H102 GLY A 1 -9.973 3.902 -6.673 1.00 0.05 H HETATM 1597 H100 GLY A 1 -9.559 6.312 -7.043 1.00 0.08 H HETATM 1598 H99 GLY A 1 -11.895 5.364 -5.590 1.00 0.19 H HETATM 1599 CB GLY A 1 -11.355 8.136 -2.939 1.00 -0.00 C HETATM 1600 CG1 GLY A 1 -10.167 7.330 -2.389 1.00 -0.05 C HETATM 1601 CD1 GLY A 1 -9.458 8.014 -1.225 1.00 -0.06 C HETATM 1602 H96 GLY A 1 -8.623 7.385 -0.883 1.00 0.02 H HETATM 1603 H97 GLY A 1 -10.168 8.161 -0.398 1.00 0.02 H HETATM 1604 H98 GLY A 1 -9.071 8.990 -1.554 1.00 0.02 H HETATM 1605 H91 GLY A 1 -9.440 7.182 -3.201 1.00 0.03 H HETATM 1606 H92 GLY A 1 -10.538 6.353 -2.046 1.00 0.03 H HETATM 1607 CG2 GLY A 1 -12.297 8.541 -1.806 1.00 -0.06 C HETATM 1608 H93 GLY A 1 -13.140 9.116 -2.218 1.00 0.02 H HETATM 1609 H94 GLY A 1 -11.751 9.160 -1.079 1.00 0.02 H HETATM 1610 H95 GLY A 1 -12.678 7.638 -1.306 1.00 0.02 H HETATM 1611 H90 GLY A 1 -10.953 9.055 -3.390 1.00 0.03 H HETATM 1612 H89 GLY A 1 -12.982 8.000 -4.327 1.00 0.08 H HETATM 1613 H88 GLY A 1 -12.104 5.388 -3.196 1.00 0.19 H HETATM 1614 CB GLY A 1 -15.898 4.638 -2.796 1.00 -0.00 C HETATM 1615 CG GLY A 1 -16.559 3.329 -2.390 1.00 0.00 C HETATM 1616 CD GLY A 1 -17.889 3.542 -1.699 1.00 0.04 C HETATM 1617 OE1 GLY A 1 -18.918 3.668 -2.395 1.00 -0.57 O HETATM 1618 OE2 GLY A 1 -17.914 3.578 -0.451 1.00 -0.57 O HETATM 1619 H86 GLY A 1 -15.887 2.792 -1.704 1.00 0.04 H HETATM 1620 H87 GLY A 1 -16.723 2.722 -3.292 1.00 0.04 H HETATM 1621 H84 GLY A 1 -16.561 5.151 -3.508 1.00 0.03 H HETATM 1622 H85 GLY A 1 -15.779 5.257 -1.895 1.00 0.03 H HETATM 1623 H83 GLY A 1 -14.647 3.907 -4.384 1.00 0.08 H HETATM 1624 H82 GLY A 1 -13.393 4.088 -1.690 1.00 0.19 H HETATM 1625 CB GLY A 1 -11.016 2.251 -1.736 1.00 0.08 C HETATM 1626 CG GLY A 1 -10.991 3.690 -1.270 1.00 0.18 C HETATM 1627 OD1 GLY A 1 -10.138 4.466 -1.676 1.00 -0.40 O HETATM 1628 ND2 GLY A 1 -11.918 4.048 -0.392 1.00 -0.30 N HETATM 1629 H80 GLY A 1 -11.947 4.987 -0.051 1.00 0.18 H HETATM 1630 H81 GLY A 1 -12.588 3.378 -0.071 1.00 0.18 H HETATM 1631 H78 GLY A 1 -10.504 2.184 -2.707 1.00 0.06 H HETATM 1632 H79 GLY A 1 -10.486 1.630 -0.998 1.00 0.06 H HETATM 1633 H77 GLY A 1 -12.963 1.846 -0.932 1.00 0.08 H HETATM 1634 H76 GLY A 1 -11.717 -0.078 -2.796 1.00 0.19 H HETATM 1635 CB GLY A 1 -14.669 -2.438 -2.822 1.00 -0.00 C HETATM 1636 CG GLY A 1 -14.645 -3.873 -3.342 1.00 0.00 C HETATM 1637 CD GLY A 1 -13.924 -4.024 -4.666 1.00 0.04 C HETATM 1638 OE1 GLY A 1 -12.750 -3.604 -4.751 1.00 -0.57 O HETATM 1639 OE2 GLY A 1 -14.519 -4.537 -5.634 1.00 -0.57 O HETATM 1640 H74 GLY A 1 -15.683 -4.215 -3.470 1.00 0.04 H HETATM 1641 H75 GLY A 1 -14.140 -4.505 -2.597 1.00 0.04 H HETATM 1642 H72 GLY A 1 -14.945 -1.774 -3.654 1.00 0.03 H HETATM 1643 H73 GLY A 1 -15.430 -2.370 -2.030 1.00 0.03 H HETATM 1644 H71 GLY A 1 -12.562 -2.043 -3.028 1.00 0.08 H HETATM 1645 H70 GLY A 1 -13.659 -3.147 -0.514 1.00 0.19 H HETATM 1646 CB GLY A 1 -10.715 -3.404 1.411 1.00 -0.01 C HETATM 1647 CG1 GLY A 1 -11.538 -2.233 1.937 1.00 -0.06 C HETATM 1648 H64 GLY A 1 -10.998 -1.746 2.762 1.00 0.02 H HETATM 1649 H65 GLY A 1 -12.508 -2.601 2.301 1.00 0.02 H HETATM 1650 H66 GLY A 1 -11.702 -1.507 1.127 1.00 0.02 H HETATM 1651 CG2 GLY A 1 -10.419 -4.390 2.539 1.00 -0.06 C HETATM 1652 H67 GLY A 1 -9.825 -5.229 2.146 1.00 0.02 H HETATM 1653 H68 GLY A 1 -11.365 -4.771 2.950 1.00 0.02 H HETATM 1654 H69 GLY A 1 -9.853 -3.880 3.333 1.00 0.02 H HETATM 1655 H63 GLY A 1 -9.759 -3.014 1.030 1.00 0.03 H HETATM 1656 H62 GLY A 1 -12.429 -4.452 0.619 1.00 0.08 H HETATM 1657 H61 GLY A 1 -9.760 -5.174 -0.494 1.00 0.19 H HETATM 1658 CB GLY A 1 -10.958 -8.093 -2.228 1.00 0.00 C HETATM 1659 CG GLY A 1 -10.039 -9.070 -2.901 1.00 -0.04 C HETATM 1660 CD1 GLY A 1 -10.035 -10.429 -2.755 1.00 0.02 C HETATM 1661 NE1 GLY A 1 -9.048 -10.985 -3.530 1.00 -0.29 N HETATM 1662 CE2 GLY A 1 -8.392 -9.985 -4.200 1.00 0.06 C HETATM 1663 CD2 GLY A 1 -8.988 -8.764 -3.829 1.00 -0.02 C HETATM 1664 CE3 GLY A 1 -8.493 -7.579 -4.385 1.00 -0.07 C HETATM 1665 CZ3 GLY A 1 -7.438 -7.650 -5.277 1.00 -0.08 C HETATM 1666 CH2 GLY A 1 -6.868 -8.880 -5.626 1.00 -0.08 C HETATM 1667 CZ2 GLY A 1 -7.329 -10.054 -5.098 1.00 -0.04 C HETATM 1668 H58 GLY A 1 -6.883 -11.004 -5.368 1.00 0.05 H HETATM 1669 H60 GLY A 1 -6.044 -8.902 -6.330 1.00 0.05 H HETATM 1670 H59 GLY A 1 -7.046 -6.738 -5.713 1.00 0.05 H HETATM 1671 H57 GLY A 1 -8.929 -6.622 -4.121 1.00 0.05 H HETATM 1672 H56 GLY A 1 -8.835 -11.991 -3.597 1.00 0.22 H HETATM 1673 H55 GLY A 1 -10.716 -10.989 -2.116 1.00 0.08 H HETATM 1674 H53 GLY A 1 -11.114 -7.239 -2.904 1.00 0.04 H HETATM 1675 H54 GLY A 1 -11.920 -8.592 -2.040 1.00 0.04 H HETATM 1676 H52 GLY A 1 -9.411 -7.157 -1.071 1.00 0.08 H HETATM 1677 H51 GLY A 1 -11.028 -9.345 0.100 1.00 0.19 H HETATM 1678 H49 GLY A 1 -9.066 -10.823 1.263 1.00 0.08 H HETATM 1679 H50 GLY A 1 -8.533 -9.779 2.624 1.00 0.08 H HETATM 1680 H48 GLY A 1 -10.761 -9.678 3.382 1.00 0.19 H HETATM 1681 CB GLY A 1 -12.745 -12.350 3.596 1.00 0.08 C HETATM 1682 OG GLY A 1 -12.938 -13.496 2.779 1.00 -0.39 O HETATM 1683 H47 GLY A 1 -12.901 -14.277 3.318 1.00 0.21 H HETATM 1684 H45 GLY A 1 -13.536 -12.317 4.360 1.00 0.06 H HETATM 1685 H46 GLY A 1 -11.763 -12.421 4.087 1.00 0.06 H HETATM 1686 H44 GLY A 1 -12.892 -10.211 3.454 1.00 0.08 H HETATM 1687 H43 GLY A 1 -14.270 -11.955 1.515 1.00 0.19 H HETATM 1688 CB GLY A 1 -16.901 -10.946 1.341 1.00 -0.00 C HETATM 1689 CG GLY A 1 -18.255 -10.863 0.651 1.00 0.00 C HETATM 1690 CD GLY A 1 -19.257 -11.831 1.235 1.00 0.04 C HETATM 1691 OE1 GLY A 1 -19.653 -11.648 2.403 1.00 -0.57 O HETATM 1692 OE2 GLY A 1 -19.656 -12.780 0.529 1.00 -0.57 O HETATM 1693 H41 GLY A 1 -18.122 -11.092 -0.417 1.00 0.04 H HETATM 1694 H42 GLY A 1 -18.646 -9.841 0.761 1.00 0.04 H HETATM 1695 H39 GLY A 1 -17.015 -10.585 2.374 1.00 0.03 H HETATM 1696 H40 GLY A 1 -16.583 -11.999 1.354 1.00 0.03 H HETATM 1697 H38 GLY A 1 -16.207 -9.115 0.455 1.00 0.08 H HETATM 1698 H37 GLY A 1 -15.909 -11.569 -0.892 1.00 0.19 H HETATM 1699 CB GLY A 1 -13.515 -10.156 -3.737 1.00 -0.01 C HETATM 1700 CG GLY A 1 -14.121 -8.818 -4.163 1.00 -0.04 C HETATM 1701 CD GLY A 1 -15.269 -8.998 -5.161 1.00 -0.01 C HETATM 1702 CE GLY A 1 -15.812 -7.669 -5.699 1.00 -0.04 C HETATM 1703 NZ GLY A 1 -15.966 -6.649 -4.629 1.00 0.22 N HETATM 1704 H34 GLY A 1 -16.324 -5.795 -5.028 1.00 0.20 H HETATM 1705 H35 GLY A 1 -15.070 -6.471 -4.203 1.00 0.20 H HETATM 1706 H36 GLY A 1 -16.608 -6.989 -3.931 1.00 0.20 H HETATM 1707 H32 GLY A 1 -16.794 -7.849 -6.160 1.00 0.08 H HETATM 1708 H33 GLY A 1 -15.115 -7.283 -6.458 1.00 0.08 H HETATM 1709 H30 GLY A 1 -16.088 -9.534 -4.659 1.00 0.03 H HETATM 1710 H31 GLY A 1 -14.905 -9.596 -6.009 1.00 0.03 H HETATM 1711 H28 GLY A 1 -13.336 -8.206 -4.632 1.00 0.03 H HETATM 1712 H29 GLY A 1 -14.504 -8.302 -3.271 1.00 0.03 H HETATM 1713 H26 GLY A 1 -13.382 -10.770 -4.640 1.00 0.03 H HETATM 1714 H27 GLY A 1 -12.534 -9.954 -3.284 1.00 0.03 H HETATM 1715 H25 GLY A 1 -13.799 -11.906 -2.520 1.00 0.08 H HETATM 1716 H24 GLY A 1 -16.397 -10.653 -3.193 1.00 0.19 H HETATM 1717 CB GLY A 1 -18.164 -13.215 -3.083 1.00 0.08 C HETATM 1718 OG GLY A 1 -17.755 -14.501 -2.648 1.00 -0.39 O HETATM 1719 H23 GLY A 1 -18.288 -14.768 -1.909 1.00 0.21 H HETATM 1720 H21 GLY A 1 -19.222 -13.255 -3.380 1.00 0.06 H HETATM 1721 H22 GLY A 1 -18.042 -12.500 -2.256 1.00 0.06 H HETATM 1722 H20 GLY A 1 -17.752 -11.812 -4.665 1.00 0.08 H HETATM 1723 H19 GLY A 1 -17.529 -14.709 -5.080 1.00 0.19 H HETATM 1724 CB GLY A 1 -16.098 -14.493 -8.590 1.00 -0.01 C HETATM 1725 CG GLY A 1 -14.751 -14.722 -7.918 1.00 -0.02 C HETATM 1726 CD GLY A 1 -14.720 -16.041 -7.140 1.00 0.06 C HETATM 1727 NE GLY A 1 -15.035 -17.189 -7.991 1.00 -0.27 N HETATM 1728 CZ GLY A 1 -14.945 -18.457 -7.593 1.00 0.29 C HETATM 1729 NH1 GLY A 1 -14.577 -18.738 -6.348 1.00 -0.28 N HETATM 1730 H15 GLY A 1 -14.508 -19.718 -6.040 1.00 0.26 H HETATM 1731 H16 GLY A 1 -14.361 -17.975 -5.690 1.00 0.26 H HETATM 1732 NH2 GLY A 1 -15.233 -19.442 -8.439 1.00 -0.28 N HETATM 1733 H17 GLY A 1 -15.518 -19.225 -9.405 1.00 0.26 H HETATM 1734 H18 GLY A 1 -15.171 -20.422 -8.129 1.00 0.26 H HETATM 1735 H14 GLY A 1 -15.345 -17.006 -8.956 1.00 0.26 H HETATM 1736 H12 GLY A 1 -15.458 -15.990 -6.326 1.00 0.07 H HETATM 1737 H13 GLY A 1 -13.714 -16.179 -6.716 1.00 0.07 H HETATM 1738 H10 GLY A 1 -14.555 -13.893 -7.222 1.00 0.03 H HETATM 1739 H11 GLY A 1 -13.967 -14.745 -8.690 1.00 0.03 H HETATM 1740 H8 GLY A 1 -16.088 -13.497 -9.056 1.00 0.03 H HETATM 1741 H9 GLY A 1 -16.233 -15.260 -9.367 1.00 0.03 H HETATM 1742 H7 GLY A 1 -17.260 -15.527 -7.098 1.00 0.08 H HETATM 1743 H6 GLY A 1 -18.706 -13.674 -8.944 1.00 0.19 H HETATM 1744 H4 GLY A 1 -21.588 -15.465 -8.459 1.00 0.11 H HETATM 1745 H5 GLY A 1 -20.790 -14.127 -9.354 1.00 0.11 H HETATM 1746 H1 GLY A 1 -21.635 -15.811 -10.821 1.00 0.20 H HETATM 1747 H2 GLY A 1 -20.725 -16.978 -10.100 1.00 0.20 H HETATM 1748 H3 GLY A 1 -19.993 -15.752 -10.920 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1504 1505 1746 1747 1748 CONECT 1505 1504 1506 1744 1745 CONECT 1506 1505 1507 1508 CONECT 1507 1506 CONECT 1508 1506 1509 1743 CONECT 1509 1508 1510 1724 1742 CONECT 1510 1509 1511 1512 CONECT 1511 1510 CONECT 1512 1510 1513 1723 CONECT 1513 1512 1514 1717 1722 CONECT 1514 1513 1515 1516 CONECT 1515 1514 CONECT 1516 1514 1517 1716 CONECT 1517 1516 1518 1699 1715 CONECT 1518 1517 1519 1520 CONECT 1519 1518 CONECT 1520 1518 1521 1698 CONECT 1521 1520 1522 1688 1697 CONECT 1522 1521 1523 1524 CONECT 1523 1522 CONECT 1524 1522 1525 1687 CONECT 1525 1524 1526 1681 1686 CONECT 1526 1525 1527 1528 CONECT 1527 1526 CONECT 1528 1526 1529 1680 CONECT 1529 1528 1530 1678 1679 CONECT 1530 1529 1531 1532 CONECT 1531 1530 CONECT 1532 1530 1533 1677 CONECT 1533 1532 1534 1658 1676 CONECT 1534 1533 1535 1536 CONECT 1535 1534 CONECT 1536 1534 1537 1657 CONECT 1537 1536 1538 1646 1656 CONECT 1538 1537 1539 1540 CONECT 1539 1538 CONECT 1540 1538 1541 1645 CONECT 1541 1540 1542 1635 1644 CONECT 1542 1541 1543 1544 CONECT 1543 1542 CONECT 1544 1542 1545 1634 CONECT 1545 1544 1546 1625 1633 CONECT 1546 1545 1547 1548 CONECT 1547 1546 CONECT 1548 1546 1549 1624 CONECT 1549 1548 1550 1614 1623 CONECT 1550 1549 1551 1552 CONECT 1551 1550 CONECT 1552 1550 1553 1613 CONECT 1553 1552 1554 1599 1612 CONECT 1554 1553 1555 1556 CONECT 1555 1554 CONECT 1556 1554 1557 1598 CONECT 1557 1556 1558 1582 1597 CONECT 1558 1557 1559 1560 CONECT 1559 1558 CONECT 1560 1558 1561 1581 CONECT 1561 1560 1562 1565 1580 CONECT 1562 1561 1563 1564 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1561 1566 1578 1579 CONECT 1566 1565 1567 1571 CONECT 1567 1566 1568 1577 CONECT 1568 1567 1569 1576 CONECT 1569 1568 1570 1574 CONECT 1570 1569 1571 1573 CONECT 1571 1566 1570 1572 CONECT 1572 1571 CONECT 1573 1570 CONECT 1574 1569 1575 CONECT 1575 1574 CONECT 1576 1568 CONECT 1577 1567 CONECT 1578 1565 CONECT 1579 1565 CONECT 1580 1561 CONECT 1581 1560 CONECT 1582 1557 1583 1595 1596 CONECT 1583 1582 1584 1588 CONECT 1584 1583 1585 1594 CONECT 1585 1584 1586 1593 CONECT 1586 1585 1587 1591 CONECT 1587 1586 1588 1590 CONECT 1588 1583 1587 1589 CONECT 1589 1588 CONECT 1590 1587 CONECT 1591 1586 1592 CONECT 1592 1591 CONECT 1593 1585 CONECT 1594 1584 CONECT 1595 1582 CONECT 1596 1582 CONECT 1597 1557 CONECT 1598 1556 CONECT 1599 1553 1600 1607 1611 CONECT 1600 1599 1601 1605 1606 CONECT 1601 1600 1602 1603 1604 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1601 CONECT 1605 1600 CONECT 1606 1600 CONECT 1607 1599 1608 1609 1610 CONECT 1608 1607 CONECT 1609 1607 CONECT 1610 1607 CONECT 1611 1599 CONECT 1612 1553 CONECT 1613 1552 CONECT 1614 1549 1615 1621 1622 CONECT 1615 1614 1616 1619 1620 CONECT 1616 1615 1617 1618 CONECT 1617 1616 CONECT 1618 1616 CONECT 1619 1615 CONECT 1620 1615 CONECT 1621 1614 CONECT 1622 1614 CONECT 1623 1549 CONECT 1624 1548 CONECT 1625 1545 1626 1631 1632 CONECT 1626 1625 1627 1628 CONECT 1627 1626 CONECT 1628 1626 1629 1630 CONECT 1629 1628 CONECT 1630 1628 CONECT 1631 1625 CONECT 1632 1625 CONECT 1633 1545 CONECT 1634 1544 CONECT 1635 1541 1636 1642 1643 CONECT 1636 1635 1637 1640 1641 CONECT 1637 1636 1638 1639 CONECT 1638 1637 CONECT 1639 1637 CONECT 1640 1636 CONECT 1641 1636 CONECT 1642 1635 CONECT 1643 1635 CONECT 1644 1541 CONECT 1645 1540 CONECT 1646 1537 1647 1651 1655 CONECT 1647 1646 1648 1649 1650 CONECT 1648 1647 CONECT 1649 1647 CONECT 1650 1647 CONECT 1651 1646 1652 1653 1654 CONECT 1652 1651 CONECT 1653 1651 CONECT 1654 1651 CONECT 1655 1646 CONECT 1656 1537 CONECT 1657 1536 CONECT 1658 1533 1659 1674 1675 CONECT 1659 1658 1660 1663 CONECT 1660 1659 1661 1673 CONECT 1661 1660 1662 1672 CONECT 1662 1661 1663 1667 CONECT 1663 1659 1662 1664 CONECT 1664 1663 1665 1671 CONECT 1665 1664 1666 1670 CONECT 1666 1665 1667 1669 CONECT 1667 1662 1666 1668 CONECT 1668 1667 CONECT 1669 1666 CONECT 1670 1665 CONECT 1671 1664 CONECT 1672 1661 CONECT 1673 1660 CONECT 1674 1658 CONECT 1675 1658 CONECT 1676 1533 CONECT 1677 1532 CONECT 1678 1529 CONECT 1679 1529 CONECT 1680 1528 CONECT 1681 1525 1682 1684 1685 CONECT 1682 1681 1683 CONECT 1683 1682 CONECT 1684 1681 CONECT 1685 1681 CONECT 1686 1525 CONECT 1687 1524 CONECT 1688 1521 1689 1695 1696 CONECT 1689 1688 1690 1693 1694 CONECT 1690 1689 1691 1692 CONECT 1691 1690 CONECT 1692 1690 CONECT 1693 1689 CONECT 1694 1689 CONECT 1695 1688 CONECT 1696 1688 CONECT 1697 1521 CONECT 1698 1520 CONECT 1699 1517 1700 1713 1714 CONECT 1700 1699 1701 1711 1712 CONECT 1701 1700 1702 1709 1710 CONECT 1702 1701 1703 1707 1708 CONECT 1703 1702 1704 1705 1706 CONECT 1704 1703 CONECT 1705 1703 CONECT 1706 1703 CONECT 1707 1702 CONECT 1708 1702 CONECT 1709 1701 CONECT 1710 1701 CONECT 1711 1700 CONECT 1712 1700 CONECT 1713 1699 CONECT 1714 1699 CONECT 1715 1517 CONECT 1716 1516 CONECT 1717 1513 1718 1720 1721 CONECT 1718 1717 1719 CONECT 1719 1718 CONECT 1720 1717 CONECT 1721 1717 CONECT 1722 1513 CONECT 1723 1512 CONECT 1724 1509 1725 1740 1741 CONECT 1725 1724 1726 1738 1739 CONECT 1726 1725 1727 1736 1737 CONECT 1727 1726 1728 1735 CONECT 1728 1727 1729 1732 CONECT 1729 1728 1730 1731 CONECT 1730 1729 CONECT 1731 1729 CONECT 1732 1728 1733 1734 CONECT 1733 1732 CONECT 1734 1732 CONECT 1735 1727 CONECT 1736 1726 CONECT 1737 1726 CONECT 1738 1725 CONECT 1739 1725 CONECT 1740 1724 CONECT 1741 1724 CONECT 1742 1509 CONECT 1743 1508 CONECT 1744 1505 CONECT 1745 1505 CONECT 1746 1504 CONECT 1747 1504 CONECT 1748 1504 MASTER 0 0 0 0 0 0 0 0 1747 1 249 8 END
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Complexes with the same small molecule ligand
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RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
2k00
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Talin-1
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=24uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Mol.Biol. Vol. 382: pp. 112-126
Ligand Properties
Formula
C
8
1
H
1
2
0
N
2
1
O
2
7
Molecular Weight
1819.940
Exact Mass
1818.870
No. of atoms
249
No. of bonds
252
Polar Surface Area
817.69
LOGP Value
-2.43 (
Computed with XLOGP3
)
-3.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 27
No. of Rotatable Bonds: 73
No. of Nitrogen and Oxygen Atoms: 48
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)Cc1ccc(cc1)O)[C@H](CC)C)CCC(=O)O)CC(=O)N)CCC(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)CO)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[NH3+])CCC[NH+]=C(N)N)CO
InChI String
InChI=1S/C81H117N21O27/c1-5-41(4)67(79(127)97-54(31-42-15-19-45(105)20-16-42)74(122)98-57(80(128)129)32-43-17-21-46(106)22-18-43)102-73(121)53(25-28-65(114)115)94-75(123)56(34-60(84)107)96-71(119)52(24-27-64(112)113)95-78(126)66(40(2)3)101-76(124)55(33-44-36-88-48-12-7-6-11-47(44)48)91-62(109)37-89-68(116)58(38-103)99-72(120)51(23-26-63(110)111)93-70(118)50(13-8-9-29-82)92-77(125)59(39-104)100-69(117)49(90-61(108)35-83)14-10-30-87-81(85)86/h6-7,11-12,15-22,36,40-41,49-59,66-67,88,103-106H,5,8-10,13-14,23-35,37-39,82-83H2,1-4H3,(H2,84,107)(H,89,116)(H,90,108)(H,91,109)(H,92,125)(H,93,118)(H,94,123)(H,95,126)(H,96,119)(H,97,127)(H,98,122)(H,99,120)(H,100,117)(H,101,124)(H,102,121)(H,110,111)(H,112,113)(H,114,115)(H,128,129)(H4,85,86,87)/p+3/t41-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-,67-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8C351
P54939
Entrez Gene ID
NCBI Entrez Gene ID:
244864
395194
ASD
Information of known allosteric effects of PDB entries
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