Browse entries in the PDBbind-CN Database
HEADER 5DXG_COMPLEX COMPND 5DXG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 74 ALA LEU SER LEU THR ALA ASP GLN MET VAL SER ALA LEU SEQRES 2 A 74 LEU ASP ALA GLU PRO PRO ILE LEU TYR SER GLU TYR ASP SEQRES 3 A 74 PRO THR ARG PRO PHE SER GLU ALA SER MET MET GLY LEU SEQRES 4 A 74 LEU THR ASN LEU ALA ASP ARG GLU LEU VAL HIS MET ILE SEQRES 5 A 74 ASN TRP ALA LYS ARG VAL PRO GLY PHE VAL ASP LEU THR SEQRES 6 A 74 LEU HIS ASP GLN VAL HIS LEU LEU GLU SEQRES 1 A 35 ALA TRP LEU GLU ILE LEU MET ILE GLY LEU VAL TRP ARG SEQRES 2 A 35 SER MET GLU HIS PRO GLY LYS LEU LEU PHE ALA PRO ASN SEQRES 3 A 35 LEU LEU LEU ASP ARG ASN GLN GLY LYS SEQRES 1 A 43 VAL GLU GLY MET VAL GLU ILE PHE ASP MET LEU LEU ALA SEQRES 2 A 43 THR SER SER ARG PHE ARG MET MET ASN LEU GLN GLY GLU SEQRES 3 A 43 GLU PHE VAL CYS LEU LYS SER ILE ILE LEU LEU ASN SER SEQRES 4 A 43 GLY VAL TYR THR SEQRES 1 A 58 LYS ASP HIS ILE HIS ARG VAL LEU ASP LYS ILE THR ASP SEQRES 2 A 58 THR LEU ILE HIS LEU MET ALA LYS ALA GLY LEU THR LEU SEQRES 3 A 58 GLN GLN GLN HIS GLN ARG LEU ALA GLN LEU LEU LEU ILE SEQRES 4 A 58 LEU SER HIS ILE ARG HIS MET SER ASN LYS GLY MET GLU SEQRES 5 A 58 HIS LEU TYR SER MET LYS SEQRES 1 A 18 LYS ASN VAL VAL PRO LEU SER ASP LEU LEU LEU GLU MET SEQRES 2 A 18 LEU ASP ALA HIS ARG HET HIS A 462 209 ATOM 1 N ALA A 307 1.472 19.810 -2.655 1.00 63.99 N ATOM 2 CA ALA A 307 2.030 19.134 -1.487 1.00 61.62 C ATOM 3 C ALA A 307 0.909 18.567 -0.619 1.00 60.80 C ATOM 4 O ALA A 307 0.472 17.432 -0.818 1.00 59.98 O ATOM 5 CB ALA A 307 2.906 20.095 -0.691 1.00 63.77 C ATOM 6 HN3 ALA A 307 0.856 20.588 -2.343 1.00 0.00 H ATOM 7 HN2 ALA A 307 0.918 19.131 -3.215 1.00 0.00 H ATOM 8 HN1 ALA A 307 2.246 20.191 -3.236 1.00 0.00 H ATOM 9 N LEU A 308 0.446 19.362 0.342 1.00 58.30 N ATOM 10 CA LEU A 308 -0.769 19.046 1.090 1.00 56.34 C ATOM 11 C LEU A 308 -1.971 18.928 0.156 1.00 53.67 C ATOM 12 O LEU A 308 -3.028 18.425 0.541 1.00 52.20 O ATOM 13 CB LEU A 308 -1.048 20.119 2.140 1.00 59.38 C ATOM 14 CG LEU A 308 -0.456 20.030 3.543 1.00 60.95 C ATOM 15 CD1 LEU A 308 1.044 19.771 3.534 1.00 60.30 C ATOM 16 CD2 LEU A 308 -0.772 21.334 4.221 1.00 63.67 C ATOM 17 H LEU A 308 0.964 20.235 0.568 1.00 0.00 H ATOM 18 N SER A 309 -1.798 19.413 -1.071 1.00 58.09 N ATOM 19 CA SER A 309 -2.856 19.413 -2.074 1.00 58.08 C ATOM 20 C SER A 309 -2.990 18.086 -2.821 1.00 52.63 C ATOM 21 O SER A 309 -4.019 17.827 -3.451 1.00 55.19 O ATOM 22 CB SER A 309 -2.614 20.537 -3.084 1.00 62.30 C ATOM 23 OG SER A 309 -2.795 21.807 -2.485 1.00 66.48 O ATOM 24 HG SER A 309 -2.633 22.514 -3.158 1.00 0.00 H ATOM 25 H SER A 309 -0.870 19.808 -1.325 1.00 0.00 H ATOM 26 N LEU A 310 -1.950 17.260 -2.762 1.00 45.59 N ATOM 27 CA LEU A 310 -1.952 15.988 -3.479 1.00 39.80 C ATOM 28 C LEU A 310 -3.076 15.075 -3.014 1.00 36.49 C ATOM 29 O LEU A 310 -3.364 14.997 -1.823 1.00 35.27 O ATOM 30 CB LEU A 310 -0.613 15.268 -3.299 1.00 37.69 C ATOM 31 CG LEU A 310 0.592 15.841 -4.040 1.00 38.78 C ATOM 32 CD1 LEU A 310 1.877 15.217 -3.501 1.00 38.34 C ATOM 33 CD2 LEU A 310 0.466 15.637 -5.549 1.00 39.28 C ATOM 34 H LEU A 310 -1.120 17.525 -2.195 1.00 0.00 H ATOM 35 N THR A 311 -3.710 14.390 -3.957 1.00 32.86 N ATOM 36 CA THR A 311 -4.659 13.341 -3.607 1.00 33.80 C ATOM 37 C THR A 311 -3.909 12.097 -3.145 1.00 30.73 C ATOM 38 O THR A 311 -2.686 12.021 -3.265 1.00 27.31 O ATOM 39 CB THR A 311 -5.556 12.951 -4.790 1.00 34.07 C ATOM 40 OG1 THR A 311 -4.768 12.272 -5.774 1.00 30.06 O ATOM 41 CG2 THR A 311 -6.216 14.173 -5.422 1.00 38.03 C ATOM 42 HG1 THR A 311 -4.045 12.872 -6.088 1.00 0.00 H ATOM 43 H THR A 311 -3.527 14.604 -4.958 1.00 0.00 H ATOM 44 N ALA A 312 -4.638 11.113 -2.632 1.00 30.53 N ATOM 45 CA ALA A 312 -4.010 9.853 -2.244 1.00 30.19 C ATOM 46 C ALA A 312 -3.258 9.220 -3.422 1.00 26.38 C ATOM 47 O ALA A 312 -2.098 8.830 -3.282 1.00 25.16 O ATOM 48 CB ALA A 312 -5.058 8.890 -1.687 1.00 31.43 C ATOM 49 H ALA A 312 -5.662 11.240 -2.506 1.00 0.00 H ATOM 50 N ASP A 313 -3.903 9.139 -4.585 1.00 26.80 N ATOM 51 CA ASP A 313 -3.278 8.495 -5.738 1.00 30.10 C ATOM 52 C ASP A 313 -2.072 9.276 -6.241 1.00 29.75 C ATOM 53 O ASP A 313 -1.091 8.691 -6.699 1.00 29.42 O ATOM 54 CB ASP A 313 -4.287 8.320 -6.872 1.00 35.68 C ATOM 55 CG ASP A 313 -5.324 7.265 -6.566 1.00 41.21 C ATOM 56 OD1 ASP A 313 -4.951 6.171 -6.083 1.00 42.92 O ATOM 57 OD2 ASP A 313 -6.516 7.535 -6.799 1.00 43.39 O ATOM 58 H ASP A 313 -4.860 9.538 -4.673 1.00 0.00 H ATOM 59 N GLN A 314 -2.147 10.598 -6.154 1.00 31.30 N ATOM 60 CA GLN A 314 -1.024 11.433 -6.556 1.00 31.11 C ATOM 61 C GLN A 314 0.181 11.258 -5.629 1.00 29.02 C ATOM 62 O GLN A 314 1.322 11.289 -6.081 1.00 28.92 O ATOM 63 CB GLN A 314 -1.443 12.898 -6.595 1.00 33.46 C ATOM 64 CG GLN A 314 -2.280 13.272 -7.797 1.00 35.80 C ATOM 65 CD GLN A 314 -2.813 14.682 -7.688 1.00 38.29 C ATOM 66 OE1 GLN A 314 -3.070 15.170 -6.590 1.00 37.95 O ATOM 67 NE2 GLN A 314 -2.969 15.353 -8.823 1.00 43.65 N ATOM 68 HE22 GLN A 314 -2.739 14.900 -9.731 1.00 0.00 H ATOM 69 HE21 GLN A 314 -3.321 16.331 -8.804 1.00 0.00 H ATOM 70 H GLN A 314 -3.016 11.042 -5.795 1.00 0.00 H ATOM 71 N MET A 315 -0.080 11.087 -4.335 1.00 25.37 N ATOM 72 CA MET A 315 0.980 10.830 -3.360 1.00 23.82 C ATOM 73 C MET A 315 1.696 9.515 -3.671 1.00 22.99 C ATOM 74 O MET A 315 2.930 9.447 -3.677 1.00 23.04 O ATOM 75 CB MET A 315 0.388 10.811 -1.942 1.00 22.86 C ATOM 76 CG MET A 315 1.321 10.341 -0.832 1.00 23.36 C ATOM 77 SD MET A 315 2.635 11.505 -0.403 1.00 33.99 S ATOM 78 CE MET A 315 1.704 12.863 0.300 1.00 29.77 C ATOM 79 H MET A 315 -1.066 11.138 -4.008 1.00 0.00 H ATOM 80 N VAL A 316 0.912 8.477 -3.944 1.00 24.38 N ATOM 81 CA VAL A 316 1.471 7.160 -4.233 1.00 25.62 C ATOM 82 C VAL A 316 2.330 7.212 -5.493 1.00 25.39 C ATOM 83 O VAL A 316 3.462 6.738 -5.487 1.00 20.98 O ATOM 84 CB VAL A 316 0.363 6.088 -4.392 1.00 31.24 C ATOM 85 CG1 VAL A 316 0.959 4.770 -4.864 1.00 33.27 C ATOM 86 CG2 VAL A 316 -0.367 5.896 -3.077 1.00 30.07 C ATOM 87 H VAL A 316 -0.120 8.606 -3.952 1.00 0.00 H ATOM 88 N SER A 317 1.798 7.810 -6.557 1.00 26.98 N ATOM 89 CA SER A 317 2.558 7.949 -7.791 1.00 29.00 C ATOM 90 C SER A 317 3.849 8.744 -7.602 1.00 26.61 C ATOM 91 O SER A 317 4.882 8.374 -8.155 1.00 27.64 O ATOM 92 CB SER A 317 1.698 8.605 -8.866 1.00 33.30 C ATOM 93 OG SER A 317 0.546 7.819 -9.100 1.00 35.63 O ATOM 94 HG SER A 317 0.024 7.743 -8.262 1.00 0.00 H ATOM 95 H SER A 317 0.828 8.182 -6.506 1.00 0.00 H ATOM 96 N ALA A 318 3.784 9.818 -6.816 1.00 24.77 N ATOM 97 CA ALA A 318 4.977 10.622 -6.534 1.00 24.58 C ATOM 98 C ALA A 318 6.055 9.793 -5.854 1.00 22.25 C ATOM 99 O ALA A 318 7.232 9.892 -6.202 1.00 20.36 O ATOM 100 CB ALA A 318 4.617 11.835 -5.664 1.00 27.26 C ATOM 101 H ALA A 318 2.872 10.090 -6.396 1.00 0.00 H ATOM 102 N LEU A 319 5.650 8.981 -4.877 1.00 22.03 N ATOM 103 CA LEU A 319 6.613 8.223 -4.085 1.00 18.80 C ATOM 104 C LEU A 319 7.137 7.051 -4.895 1.00 19.95 C ATOM 105 O LEU A 319 8.316 6.731 -4.826 1.00 19.68 O ATOM 106 CB LEU A 319 5.978 7.737 -2.779 1.00 18.42 C ATOM 107 CG LEU A 319 5.526 8.832 -1.819 1.00 17.73 C ATOM 108 CD1 LEU A 319 4.830 8.195 -0.631 1.00 17.49 C ATOM 109 CD2 LEU A 319 6.733 9.654 -1.399 1.00 18.00 C ATOM 110 H LEU A 319 4.634 8.887 -4.677 1.00 0.00 H ATOM 111 N LEU A 320 6.269 6.431 -5.692 1.00 17.23 N ATOM 112 CA LEU A 320 6.738 5.371 -6.576 1.00 18.26 C ATOM 113 C LEU A 320 7.755 5.908 -7.587 1.00 19.43 C ATOM 114 O LEU A 320 8.783 5.269 -7.823 1.00 20.82 O ATOM 115 CB LEU A 320 5.560 4.711 -7.301 1.00 18.61 C ATOM 116 CG LEU A 320 4.681 3.844 -6.396 1.00 18.93 C ATOM 117 CD1 LEU A 320 3.492 3.260 -7.159 1.00 20.98 C ATOM 118 CD2 LEU A 320 5.516 2.751 -5.727 1.00 18.16 C ATOM 119 H LEU A 320 5.265 6.701 -5.684 1.00 0.00 H ATOM 120 N ASP A 321 7.487 7.080 -8.171 1.00 19.34 N ATOM 121 CA ASP A 321 8.392 7.680 -9.160 1.00 22.29 C ATOM 122 C ASP A 321 9.745 8.025 -8.544 1.00 20.79 C ATOM 123 O ASP A 321 10.770 7.987 -9.224 1.00 21.68 O ATOM 124 CB ASP A 321 7.801 8.957 -9.776 1.00 28.64 C ATOM 125 CG ASP A 321 6.559 8.703 -10.606 1.00 40.48 C ATOM 126 OD1 ASP A 321 6.262 7.531 -10.917 1.00 44.07 O ATOM 127 OD2 ASP A 321 5.884 9.695 -10.959 1.00 45.93 O ATOM 128 H ASP A 321 6.612 7.582 -7.918 1.00 0.00 H ATOM 129 N ALA A 322 9.730 8.368 -7.262 1.00 20.66 N ATOM 130 CA ALA A 322 10.934 8.829 -6.569 1.00 19.92 C ATOM 131 C ALA A 322 11.891 7.713 -6.139 1.00 19.08 C ATOM 132 O ALA A 322 13.009 7.999 -5.705 1.00 18.81 O ATOM 133 CB ALA A 322 10.534 9.653 -5.348 1.00 21.67 C ATOM 134 H ALA A 322 8.836 8.307 -6.734 1.00 0.00 H ATOM 135 N GLU A 323 11.458 6.456 -6.250 1.00 16.64 N ATOM 136 CA GLU A 323 12.232 5.327 -5.738 1.00 16.34 C ATOM 137 C GLU A 323 13.646 5.308 -6.327 1.00 16.57 C ATOM 138 O GLU A 323 13.823 5.574 -7.510 1.00 17.70 O ATOM 139 CB GLU A 323 11.504 4.009 -6.036 1.00 16.43 C ATOM 140 CG GLU A 323 10.445 3.678 -5.004 1.00 14.48 C ATOM 141 CD GLU A 323 11.080 3.404 -3.666 1.00 14.69 C ATOM 142 OE1 GLU A 323 11.572 2.274 -3.485 1.00 17.91 O ATOM 143 OE2 GLU A 323 11.129 4.322 -2.821 1.00 16.82 O ATOM 144 H GLU A 323 10.545 6.275 -6.713 1.00 0.00 H ATOM 145 N PRO A 324 14.653 5.049 -5.474 1.00 15.47 N ATOM 146 CA PRO A 324 16.036 4.926 -5.938 1.00 17.34 C ATOM 147 C PRO A 324 16.251 3.574 -6.587 1.00 17.96 C ATOM 148 O PRO A 324 15.479 2.651 -6.321 1.00 19.09 O ATOM 149 CB PRO A 324 16.858 5.065 -4.652 1.00 17.31 C ATOM 150 CG PRO A 324 15.940 4.545 -3.569 1.00 16.13 C ATOM 151 CD PRO A 324 14.541 4.912 -4.002 1.00 13.62 C ATOM 152 N PRO A 325 17.271 3.452 -7.440 1.00 19.57 N ATOM 153 CA PRO A 325 17.611 2.173 -8.060 1.00 20.10 C ATOM 154 C PRO A 325 18.179 1.193 -7.047 1.00 20.04 C ATOM 155 O PRO A 325 18.591 1.596 -5.961 1.00 17.36 O ATOM 156 CB PRO A 325 18.664 2.550 -9.100 1.00 23.32 C ATOM 157 CG PRO A 325 19.269 3.808 -8.578 1.00 21.99 C ATOM 158 CD PRO A 325 18.161 4.541 -7.889 1.00 21.08 C ATOM 159 N ILE A 326 18.184 -0.091 -7.391 1.00 21.37 N ATOM 160 CA ILE A 326 18.873 -1.074 -6.574 1.00 23.42 C ATOM 161 C ILE A 326 20.317 -1.102 -7.052 1.00 20.84 C ATOM 162 O ILE A 326 20.581 -1.408 -8.212 1.00 21.25 O ATOM 163 CB ILE A 326 18.232 -2.473 -6.673 1.00 26.57 C ATOM 164 CG1 ILE A 326 16.857 -2.471 -6.004 1.00 28.54 C ATOM 165 CG2 ILE A 326 19.098 -3.508 -5.995 1.00 29.54 C ATOM 166 CD1 ILE A 326 16.106 -3.782 -6.134 1.00 32.23 C ATOM 167 H ILE A 326 17.689 -0.395 -8.254 1.00 0.00 H ATOM 168 N LEU A 327 21.242 -0.745 -6.168 1.00 15.46 N ATOM 169 CA LEU A 327 22.650 -0.642 -6.542 1.00 15.60 C ATOM 170 C LEU A 327 23.361 -1.982 -6.402 1.00 16.46 C ATOM 171 O LEU A 327 22.896 -2.858 -5.677 1.00 14.42 O ATOM 172 CB LEU A 327 23.359 0.413 -5.680 1.00 15.21 C ATOM 173 CG LEU A 327 22.804 1.836 -5.751 1.00 16.68 C ATOM 174 CD1 LEU A 327 23.651 2.803 -4.944 1.00 14.31 C ATOM 175 CD2 LEU A 327 22.713 2.275 -7.187 1.00 17.82 C ATOM 176 H LEU A 327 20.958 -0.535 -5.190 1.00 0.00 H ATOM 177 N TYR A 328 24.486 -2.130 -7.100 1.00 15.61 N ATOM 178 CA TYR A 328 25.349 -3.305 -6.937 1.00 15.88 C ATOM 179 C TYR A 328 26.457 -3.045 -5.912 1.00 14.74 C ATOM 180 O TYR A 328 26.866 -1.900 -5.703 1.00 17.50 O ATOM 181 CB TYR A 328 25.952 -3.719 -8.294 1.00 17.53 C ATOM 182 CG TYR A 328 25.004 -4.593 -9.077 1.00 22.86 C ATOM 183 CD1 TYR A 328 23.898 -4.049 -9.709 1.00 26.63 C ATOM 184 CD2 TYR A 328 25.187 -5.970 -9.143 1.00 24.50 C ATOM 185 CE1 TYR A 328 23.011 -4.840 -10.402 1.00 29.05 C ATOM 186 CE2 TYR A 328 24.307 -6.768 -9.833 1.00 28.91 C ATOM 187 CZ TYR A 328 23.224 -6.200 -10.463 1.00 31.68 C ATOM 188 OH TYR A 328 22.347 -7.003 -11.153 1.00 38.06 O ATOM 189 HH TYR A 328 22.832 -7.474 -11.876 1.00 0.00 H ATOM 190 H TYR A 328 24.760 -1.392 -7.779 1.00 0.00 H ATOM 191 N SER A 329 26.915 -4.105 -5.253 1.00 16.19 N ATOM 192 CA SER A 329 28.072 -4.009 -4.361 1.00 16.70 C ATOM 193 C SER A 329 29.347 -4.302 -5.125 1.00 15.97 C ATOM 194 O SER A 329 29.307 -4.758 -6.264 1.00 17.84 O ATOM 195 CB SER A 329 27.961 -4.997 -3.204 1.00 19.26 C ATOM 196 OG SER A 329 28.324 -6.294 -3.642 1.00 21.93 O ATOM 197 HG SER A 329 27.718 -6.576 -4.372 1.00 0.00 H ATOM 198 H SER A 329 26.441 -5.023 -5.374 1.00 0.00 H ATOM 199 N GLU A 330 30.480 -4.071 -4.476 1.00 17.66 N ATOM 200 CA GLU A 330 31.763 -4.394 -5.089 1.00 21.05 C ATOM 201 C GLU A 330 32.239 -5.795 -4.724 1.00 20.76 C ATOM 202 O GLU A 330 33.442 -6.058 -4.722 1.00 24.56 O ATOM 203 CB GLU A 330 32.809 -3.369 -4.676 1.00 22.26 C ATOM 204 CG GLU A 330 32.492 -2.004 -5.199 1.00 26.95 C ATOM 205 CD GLU A 330 33.576 -0.996 -4.937 1.00 35.57 C ATOM 206 OE1 GLU A 330 34.434 -1.225 -4.054 1.00 36.04 O ATOM 207 OE2 GLU A 330 33.558 0.039 -5.625 1.00 41.51 O ATOM 208 H GLU A 330 30.453 -3.656 -3.523 1.00 0.00 H ATOM 209 N TYR A 331 31.295 -6.681 -4.428 1.00 18.78 N ATOM 210 CA TYR A 331 31.644 -8.035 -3.999 1.00 18.18 C ATOM 211 C TYR A 331 32.644 -8.696 -4.956 1.00 20.94 C ATOM 212 O TYR A 331 32.429 -8.738 -6.164 1.00 20.92 O ATOM 213 CB TYR A 331 30.393 -8.909 -3.866 1.00 16.98 C ATOM 214 CG TYR A 331 30.732 -10.360 -3.546 1.00 17.98 C ATOM 215 CD1 TYR A 331 31.485 -10.672 -2.416 1.00 20.60 C ATOM 216 CD2 TYR A 331 30.320 -11.399 -4.364 1.00 19.88 C ATOM 217 CE1 TYR A 331 31.814 -11.998 -2.114 1.00 16.70 C ATOM 218 CE2 TYR A 331 30.642 -12.729 -4.067 1.00 21.36 C ATOM 219 CZ TYR A 331 31.391 -13.015 -2.937 1.00 19.05 C ATOM 220 OH TYR A 331 31.726 -14.323 -2.626 1.00 22.64 O ATOM 221 HH TYR A 331 32.258 -14.337 -1.791 1.00 0.00 H ATOM 222 H TYR A 331 30.294 -6.408 -4.502 1.00 0.00 H ATOM 223 N ASP A 332 33.746 -9.192 -4.400 1.00 21.77 N ATOM 224 CA ASP A 332 34.771 -9.898 -5.172 1.00 24.63 C ATOM 225 C ASP A 332 34.725 -11.385 -4.830 1.00 21.94 C ATOM 226 O ASP A 332 35.198 -11.801 -3.778 1.00 22.28 O ATOM 227 CB ASP A 332 36.159 -9.310 -4.878 1.00 30.98 C ATOM 228 CG ASP A 332 37.304 -10.136 -5.460 1.00 36.81 C ATOM 229 OD1 ASP A 332 37.100 -10.892 -6.433 1.00 36.36 O ATOM 230 OD2 ASP A 332 38.429 -10.009 -4.931 1.00 42.55 O ATOM 231 H ASP A 332 33.885 -9.074 -3.376 1.00 0.00 H ATOM 232 N PRO A 333 34.139 -12.191 -5.724 1.00 22.04 N ATOM 233 CA PRO A 333 34.020 -13.608 -5.371 1.00 20.20 C ATOM 234 C PRO A 333 35.331 -14.397 -5.495 1.00 21.04 C ATOM 235 O PRO A 333 35.295 -15.612 -5.347 1.00 21.81 O ATOM 236 CB PRO A 333 32.983 -14.123 -6.372 1.00 22.32 C ATOM 237 CG PRO A 333 33.180 -13.227 -7.577 1.00 26.56 C ATOM 238 CD PRO A 333 33.468 -11.869 -6.997 1.00 24.19 C ATOM 239 N THR A 334 36.464 -13.744 -5.764 1.00 21.89 N ATOM 240 CA THR A 334 37.720 -14.483 -5.914 1.00 23.70 C ATOM 241 C THR A 334 38.319 -14.861 -4.560 1.00 22.74 C ATOM 242 O THR A 334 39.184 -15.739 -4.486 1.00 24.08 O ATOM 243 CB THR A 334 38.799 -13.688 -6.697 1.00 25.53 C ATOM 244 OG1 THR A 334 39.108 -12.473 -6.001 1.00 24.37 O ATOM 245 CG2 THR A 334 38.354 -13.359 -8.123 1.00 27.25 C ATOM 246 HG1 THR A 334 38.289 -11.923 -5.921 1.00 0.00 H ATOM 247 H THR A 334 36.455 -12.709 -5.867 1.00 0.00 H ATOM 248 N ARG A 335 37.853 -14.186 -3.510 1.00 21.61 N ATOM 249 CA ARG A 335 38.390 -14.338 -2.150 1.00 23.96 C ATOM 250 C ARG A 335 37.312 -14.599 -1.100 1.00 19.15 C ATOM 251 O ARG A 335 36.159 -14.212 -1.275 1.00 17.46 O ATOM 252 CB ARG A 335 39.151 -13.075 -1.718 1.00 31.31 C ATOM 253 CG ARG A 335 39.799 -12.291 -2.832 1.00 40.33 C ATOM 254 CD ARG A 335 40.793 -13.150 -3.588 1.00 48.56 C ATOM 255 NE ARG A 335 41.545 -14.021 -2.690 1.00 53.82 N ATOM 256 CZ ARG A 335 42.592 -14.750 -3.061 1.00 58.50 C ATOM 257 NH1 ARG A 335 43.025 -14.711 -4.312 1.00 60.57 N ATOM 258 NH2 ARG A 335 43.210 -15.514 -2.173 1.00 58.87 N ATOM 259 HE ARG A 335 41.242 -14.074 -1.697 1.00 0.00 H ATOM 260 HH12 ARG A 335 43.845 -15.284 -4.597 1.00 0.00 H ATOM 261 HH11 ARG A 335 42.545 -14.108 -5.010 1.00 0.00 H ATOM 262 HH22 ARG A 335 44.030 -16.086 -2.460 1.00 0.00 H ATOM 263 HH21 ARG A 335 42.875 -15.542 -1.189 1.00 0.00 H ATOM 264 H ARG A 335 37.070 -13.518 -3.660 1.00 0.00 H ATOM 265 N PRO A 336 37.694 -15.245 0.011 1.00 21.47 N ATOM 266 CA PRO A 336 36.769 -15.342 1.141 1.00 19.69 C ATOM 267 C PRO A 336 36.621 -13.981 1.818 1.00 19.67 C ATOM 268 O PRO A 336 37.439 -13.095 1.581 1.00 19.16 O ATOM 269 CB PRO A 336 37.444 -16.368 2.064 1.00 20.56 C ATOM 270 CG PRO A 336 38.890 -16.336 1.692 1.00 24.60 C ATOM 271 CD PRO A 336 38.956 -15.977 0.242 1.00 24.96 C ATOM 272 N PHE A 337 35.571 -13.818 2.618 1.00 17.94 N ATOM 273 CA PHE A 337 35.387 -12.590 3.389 1.00 16.10 C ATOM 274 C PHE A 337 36.365 -12.536 4.544 1.00 17.83 C ATOM 275 O PHE A 337 36.756 -13.573 5.073 1.00 20.14 O ATOM 276 CB PHE A 337 33.967 -12.501 3.965 1.00 15.58 C ATOM 277 CG PHE A 337 32.898 -12.273 2.938 1.00 19.72 C ATOM 278 CD1 PHE A 337 32.772 -11.041 2.317 1.00 19.35 C ATOM 279 CD2 PHE A 337 32.004 -13.275 2.623 1.00 19.39 C ATOM 280 CE1 PHE A 337 31.778 -10.828 1.384 1.00 18.32 C ATOM 281 CE2 PHE A 337 31.010 -13.069 1.694 1.00 19.62 C ATOM 282 CZ PHE A 337 30.895 -11.842 1.071 1.00 17.68 C ATOM 283 H PHE A 337 34.867 -14.579 2.696 1.00 0.00 H ATOM 284 N SER A 338 36.764 -11.329 4.920 1.00 18.62 N ATOM 285 CA SER A 338 37.282 -11.069 6.259 1.00 19.32 C ATOM 286 C SER A 338 36.290 -10.134 6.954 1.00 20.08 C ATOM 287 O SER A 338 35.379 -9.616 6.312 1.00 16.22 O ATOM 288 CB SER A 338 38.661 -10.429 6.198 1.00 21.28 C ATOM 289 OG SER A 338 38.552 -9.167 5.575 1.00 19.06 O ATOM 290 HG SER A 338 39.446 -8.744 5.531 1.00 0.00 H ATOM 291 H SER A 338 36.706 -10.544 4.240 1.00 0.00 H ATOM 292 N GLU A 339 36.459 -9.920 8.252 1.00 17.27 N ATOM 293 CA GLU A 339 35.636 -8.905 8.928 1.00 15.30 C ATOM 294 C GLU A 339 35.810 -7.557 8.256 1.00 14.72 C ATOM 295 O GLU A 339 34.839 -6.826 8.017 1.00 13.71 O ATOM 296 CB GLU A 339 36.029 -8.816 10.404 1.00 17.64 C ATOM 297 CG GLU A 339 35.392 -7.659 11.152 1.00 17.47 C ATOM 298 CD GLU A 339 35.707 -7.725 12.628 1.00 22.49 C ATOM 299 OE1 GLU A 339 36.867 -7.449 13.001 1.00 24.46 O ATOM 300 OE2 GLU A 339 34.801 -8.070 13.412 1.00 22.13 O ATOM 301 H GLU A 339 37.166 -10.464 8.786 1.00 0.00 H ATOM 302 N ALA A 340 37.061 -7.232 7.937 1.00 15.50 N ATOM 303 CA ALA A 340 37.370 -5.966 7.306 1.00 15.22 C ATOM 304 C ALA A 340 36.760 -5.863 5.911 1.00 14.58 C ATOM 305 O ALA A 340 36.196 -4.833 5.579 1.00 14.73 O ATOM 306 CB ALA A 340 38.879 -5.762 7.238 1.00 16.46 C ATOM 307 H ALA A 340 37.831 -7.900 8.145 1.00 0.00 H ATOM 308 N SER A 341 36.867 -6.918 5.101 1.00 15.00 N ATOM 309 CA SER A 341 36.389 -6.793 3.724 1.00 14.67 C ATOM 310 C SER A 341 34.870 -6.796 3.677 1.00 13.60 C ATOM 311 O SER A 341 34.274 -6.155 2.810 1.00 14.35 O ATOM 312 CB SER A 341 36.945 -7.908 2.824 1.00 19.56 C ATOM 313 OG SER A 341 36.383 -9.172 3.115 1.00 18.43 O ATOM 314 HG SER A 341 36.773 -9.852 2.510 1.00 0.00 H ATOM 315 H SER A 341 37.281 -7.809 5.441 1.00 0.00 H ATOM 316 N MET A 342 34.235 -7.491 4.618 1.00 14.68 N ATOM 317 CA MET A 342 32.780 -7.459 4.636 1.00 13.25 C ATOM 318 C MET A 342 32.286 -6.081 5.066 1.00 11.94 C ATOM 319 O MET A 342 31.403 -5.519 4.429 1.00 11.42 O ATOM 320 CB MET A 342 32.195 -8.538 5.552 1.00 12.60 C ATOM 321 CG MET A 342 30.672 -8.549 5.523 1.00 12.68 C ATOM 322 SD MET A 342 29.891 -9.967 6.323 1.00 22.61 S ATOM 323 CE MET A 342 30.354 -11.316 5.234 1.00 16.32 C ATOM 324 H MET A 342 34.765 -8.043 5.322 1.00 0.00 H ATOM 325 N MET A 343 32.861 -5.523 6.128 1.00 11.80 N ATOM 326 CA MET A 343 32.475 -4.167 6.536 1.00 12.32 C ATOM 327 C MET A 343 32.743 -3.137 5.425 1.00 11.38 C ATOM 328 O MET A 343 31.963 -2.197 5.232 1.00 13.51 O ATOM 329 CB MET A 343 33.205 -3.774 7.828 1.00 11.65 C ATOM 330 CG MET A 343 32.600 -4.361 9.107 1.00 11.68 C ATOM 331 SD MET A 343 30.845 -3.959 9.331 1.00 12.91 S ATOM 332 CE MET A 343 30.811 -2.182 9.069 1.00 12.37 C ATOM 333 H MET A 343 33.581 -6.045 6.667 1.00 0.00 H ATOM 334 N GLY A 344 33.826 -3.320 4.680 1.00 12.25 N ATOM 335 CA GLY A 344 34.143 -2.433 3.572 1.00 15.41 C ATOM 336 C GLY A 344 33.078 -2.476 2.488 1.00 16.18 C ATOM 337 O GLY A 344 32.687 -1.442 1.962 1.00 13.06 O ATOM 338 H GLY A 344 34.462 -4.115 4.893 1.00 0.00 H ATOM 339 N LEU A 345 32.618 -3.680 2.157 1.00 15.26 N ATOM 340 CA LEU A 345 31.562 -3.825 1.150 1.00 13.55 C ATOM 341 C LEU A 345 30.272 -3.143 1.560 1.00 11.62 C ATOM 342 O LEU A 345 29.648 -2.442 0.760 1.00 14.55 O ATOM 343 CB LEU A 345 31.255 -5.297 0.886 1.00 16.56 C ATOM 344 CG LEU A 345 32.336 -6.114 0.202 1.00 21.87 C ATOM 345 CD1 LEU A 345 31.836 -7.521 -0.014 1.00 22.34 C ATOM 346 CD2 LEU A 345 32.718 -5.464 -1.109 1.00 24.22 C ATOM 347 H LEU A 345 33.011 -4.526 2.617 1.00 0.00 H ATOM 348 N LEU A 346 29.861 -3.370 2.804 1.00 11.33 N ATOM 349 CA LEU A 346 28.602 -2.826 3.288 1.00 15.54 C ATOM 350 C LEU A 346 28.657 -1.308 3.390 1.00 16.04 C ATOM 351 O LEU A 346 27.684 -0.635 3.065 1.00 13.38 O ATOM 352 CB LEU A 346 28.232 -3.430 4.643 1.00 14.27 C ATOM 353 CG LEU A 346 28.052 -4.950 4.679 1.00 14.15 C ATOM 354 CD1 LEU A 346 27.743 -5.454 6.087 1.00 15.30 C ATOM 355 CD2 LEU A 346 26.978 -5.403 3.689 1.00 13.65 C ATOM 356 H LEU A 346 30.449 -3.945 3.441 1.00 0.00 H ATOM 357 N THR A 347 29.789 -0.767 3.831 1.00 14.04 N ATOM 358 CA THR A 347 29.884 0.684 3.986 1.00 15.17 C ATOM 359 C THR A 347 30.065 1.355 2.623 1.00 11.95 C ATOM 360 O THR A 347 29.567 2.460 2.413 1.00 14.30 O ATOM 361 CB THR A 347 31.034 1.107 4.942 1.00 14.53 C ATOM 362 OG1 THR A 347 32.257 0.471 4.573 1.00 14.93 O ATOM 363 CG2 THR A 347 30.690 0.749 6.385 1.00 16.18 C ATOM 364 HG1 THR A 347 32.145 -0.511 4.622 1.00 0.00 H ATOM 365 H THR A 347 30.602 -1.372 4.064 1.00 0.00 H ATOM 366 N ASN A 348 30.771 0.692 1.717 1.00 13.03 N ATOM 367 CA ASN A 348 30.903 1.197 0.358 1.00 13.47 C ATOM 368 C ASN A 348 29.536 1.271 -0.324 1.00 11.91 C ATOM 369 O ASN A 348 29.220 2.254 -0.987 1.00 13.46 O ATOM 370 CB ASN A 348 31.858 0.323 -0.452 1.00 16.08 C ATOM 371 CG ASN A 348 31.964 0.760 -1.895 1.00 16.42 C ATOM 372 OD1 ASN A 348 31.107 0.433 -2.718 1.00 20.74 O ATOM 373 ND2 ASN A 348 33.025 1.488 -2.218 1.00 17.46 N ATOM 374 HD22 ASN A 348 33.723 1.741 -1.490 1.00 0.00 H ATOM 375 HD21 ASN A 348 33.158 1.806 -3.199 1.00 0.00 H ATOM 376 H ASN A 348 31.236 -0.200 1.981 1.00 0.00 H ATOM 377 N LEU A 349 28.732 0.225 -0.141 1.00 11.39 N ATOM 378 CA LEU A 349 27.359 0.222 -0.624 1.00 9.51 C ATOM 379 C LEU A 349 26.544 1.352 -0.002 1.00 12.26 C ATOM 380 O LEU A 349 25.871 2.109 -0.711 1.00 16.07 O ATOM 381 CB LEU A 349 26.694 -1.121 -0.315 1.00 11.31 C ATOM 382 CG LEU A 349 25.255 -1.304 -0.785 1.00 10.12 C ATOM 383 CD1 LEU A 349 25.192 -1.097 -2.282 1.00 11.59 C ATOM 384 CD2 LEU A 349 24.753 -2.682 -0.405 1.00 11.83 C ATOM 385 H LEU A 349 29.095 -0.611 0.360 1.00 0.00 H ATOM 386 N ALA A 350 26.608 1.461 1.323 1.00 12.57 N ATOM 387 CA ALA A 350 25.811 2.456 2.042 1.00 12.81 C ATOM 388 C ALA A 350 26.119 3.830 1.496 1.00 13.73 C ATOM 389 O ALA A 350 25.217 4.643 1.278 1.00 12.31 O ATOM 390 CB ALA A 350 26.096 2.401 3.540 1.00 9.47 C ATOM 391 H ALA A 350 27.236 0.827 1.857 1.00 0.00 H ATOM 392 N ASP A 351 27.401 4.089 1.284 1.00 11.90 N ATOM 393 CA ASP A 351 27.844 5.390 0.815 1.00 14.13 C ATOM 394 C ASP A 351 27.263 5.748 -0.547 1.00 13.89 C ATOM 395 O ASP A 351 26.808 6.871 -0.757 1.00 13.21 O ATOM 396 CB ASP A 351 29.367 5.430 0.752 1.00 18.79 C ATOM 397 CG ASP A 351 29.877 6.762 0.286 1.00 22.21 C ATOM 398 OD1 ASP A 351 29.916 7.705 1.110 1.00 24.78 O ATOM 399 OD2 ASP A 351 30.232 6.871 -0.902 1.00 22.38 O ATOM 400 H ASP A 351 28.106 3.344 1.457 1.00 0.00 H ATOM 401 N ARG A 352 27.273 4.800 -1.475 1.00 13.73 N ATOM 402 CA ARG A 352 26.694 5.082 -2.778 1.00 15.35 C ATOM 403 C ARG A 352 25.167 5.210 -2.686 1.00 12.77 C ATOM 404 O ARG A 352 24.581 6.030 -3.382 1.00 13.16 O ATOM 405 CB ARG A 352 27.114 4.018 -3.793 1.00 17.16 C ATOM 406 CG ARG A 352 28.477 4.316 -4.407 1.00 17.95 C ATOM 407 CD ARG A 352 28.955 3.210 -5.335 1.00 20.22 C ATOM 408 NE ARG A 352 29.173 1.961 -4.618 1.00 21.35 N ATOM 409 CZ ARG A 352 28.591 0.803 -4.917 1.00 20.19 C ATOM 410 NH1 ARG A 352 27.752 0.704 -5.938 1.00 16.43 N ATOM 411 NH2 ARG A 352 28.870 -0.271 -4.192 1.00 18.11 N ATOM 412 HE ARG A 352 29.832 1.976 -3.813 1.00 0.00 H ATOM 413 HH12 ARG A 352 27.306 -0.209 -6.158 1.00 0.00 H ATOM 414 HH11 ARG A 352 27.540 1.540 -6.520 1.00 0.00 H ATOM 415 HH22 ARG A 352 28.421 -1.181 -4.417 1.00 0.00 H ATOM 416 HH21 ARG A 352 29.538 -0.203 -3.398 1.00 0.00 H ATOM 417 H ARG A 352 27.689 3.869 -1.273 1.00 0.00 H ATOM 418 N GLU A 353 24.532 4.443 -1.802 1.00 12.89 N ATOM 419 CA GLU A 353 23.076 4.549 -1.611 1.00 14.13 C ATOM 420 C GLU A 353 22.680 5.899 -1.007 1.00 13.55 C ATOM 421 O GLU A 353 21.607 6.424 -1.302 1.00 11.35 O ATOM 422 CB GLU A 353 22.530 3.435 -0.708 1.00 11.08 C ATOM 423 CG GLU A 353 22.649 1.979 -1.202 1.00 12.28 C ATOM 424 CD GLU A 353 21.893 0.947 -0.267 1.00 14.07 C ATOM 425 OE1 GLU A 353 22.371 0.299 0.715 1.00 21.42 O ATOM 426 OE2 GLU A 353 20.698 0.808 -0.588 1.00 15.52 O ATOM 427 H GLU A 353 25.073 3.758 -1.237 1.00 0.00 H ATOM 428 N LEU A 354 23.539 6.442 -0.148 1.00 12.10 N ATOM 429 CA LEU A 354 23.262 7.729 0.480 1.00 14.07 C ATOM 430 C LEU A 354 23.101 8.834 -0.553 1.00 12.38 C ATOM 431 O LEU A 354 22.256 9.708 -0.404 1.00 13.62 O ATOM 432 CB LEU A 354 24.370 8.089 1.472 1.00 15.93 C ATOM 433 CG LEU A 354 24.227 7.338 2.794 1.00 17.63 C ATOM 434 CD1 LEU A 354 25.496 7.425 3.628 1.00 16.42 C ATOM 435 CD2 LEU A 354 23.010 7.833 3.568 1.00 17.75 C ATOM 436 H LEU A 354 24.422 5.941 0.079 1.00 0.00 H ATOM 437 N VAL A 355 23.890 8.788 -1.620 1.00 11.29 N ATOM 438 CA VAL A 355 23.775 9.813 -2.642 1.00 11.47 C ATOM 439 C VAL A 355 22.385 9.792 -3.297 1.00 10.98 C ATOM 440 O VAL A 355 21.764 10.839 -3.485 1.00 13.96 O ATOM 441 CB VAL A 355 24.869 9.652 -3.706 1.00 16.65 C ATOM 442 CG1 VAL A 355 24.666 10.650 -4.841 1.00 19.53 C ATOM 443 CG2 VAL A 355 26.248 9.798 -3.054 1.00 19.59 C ATOM 444 H VAL A 355 24.586 8.022 -1.723 1.00 0.00 H ATOM 445 N HIS A 356 21.892 8.595 -3.606 1.00 13.14 N ATOM 446 CA HIS A 356 20.537 8.438 -4.126 1.00 14.02 C ATOM 447 C HIS A 356 19.486 8.792 -3.077 1.00 13.11 C ATOM 448 O HIS A 356 18.405 9.279 -3.414 1.00 12.00 O ATOM 449 CB HIS A 356 20.320 7.008 -4.611 1.00 12.83 C ATOM 450 CG HIS A 356 21.130 6.665 -5.820 1.00 17.77 C ATOM 451 ND1 HIS A 356 20.663 6.858 -7.105 1.00 22.49 N ATOM 452 CD2 HIS A 356 22.382 6.165 -5.943 1.00 17.97 C ATOM 453 CE1 HIS A 356 21.587 6.480 -7.967 1.00 21.90 C ATOM 454 NE2 HIS A 356 22.645 6.054 -7.287 1.00 19.45 N ATOM 455 H HIS A 356 22.486 7.752 -3.474 1.00 0.00 H ATOM 456 N MET A 357 19.797 8.536 -1.811 1.00 11.23 N ATOM 457 CA MET A 357 18.825 8.816 -0.752 1.00 11.12 C ATOM 458 C MET A 357 18.562 10.301 -0.652 1.00 12.03 C ATOM 459 O MET A 357 17.437 10.734 -0.410 1.00 11.55 O ATOM 460 CB MET A 357 19.313 8.300 0.605 1.00 11.17 C ATOM 461 CG MET A 357 18.234 8.389 1.687 1.00 12.27 C ATOM 462 SD MET A 357 18.871 8.051 3.334 1.00 12.57 S ATOM 463 CE MET A 357 19.402 6.363 3.107 1.00 9.03 C ATOM 464 H MET A 357 20.728 8.138 -1.573 1.00 0.00 H ATOM 465 N ILE A 358 19.613 11.088 -0.835 1.00 10.46 N ATOM 466 CA ILE A 358 19.479 12.530 -0.732 1.00 13.12 C ATOM 467 C ILE A 358 18.584 13.030 -1.851 1.00 16.30 C ATOM 468 O ILE A 358 17.716 13.875 -1.635 1.00 18.40 O ATOM 469 CB ILE A 358 20.855 13.214 -0.776 1.00 16.08 C ATOM 470 CG1 ILE A 358 21.538 13.151 0.596 1.00 17.08 C ATOM 471 CG2 ILE A 358 20.708 14.666 -1.205 1.00 20.40 C ATOM 472 CD1 ILE A 358 21.281 11.890 1.409 1.00 19.84 C ATOM 473 H ILE A 358 20.540 10.670 -1.054 1.00 0.00 H ATOM 474 N ASN A 359 18.759 12.494 -3.049 1.00 12.62 N ATOM 475 CA ASN A 359 17.925 12.923 -4.160 1.00 17.80 C ATOM 476 C ASN A 359 16.491 12.432 -4.033 1.00 16.67 C ATOM 477 O ASN A 359 15.546 13.138 -4.408 1.00 17.30 O ATOM 478 CB ASN A 359 18.559 12.461 -5.464 1.00 22.89 C ATOM 479 CG ASN A 359 19.808 13.237 -5.769 1.00 29.96 C ATOM 480 OD1 ASN A 359 19.738 14.374 -6.237 1.00 34.42 O ATOM 481 ND2 ASN A 359 20.963 12.660 -5.456 1.00 34.41 N ATOM 482 HD22 ASN A 359 20.974 11.697 -5.063 1.00 0.00 H ATOM 483 HD21 ASN A 359 21.857 13.171 -5.604 1.00 0.00 H ATOM 484 H ASN A 359 19.490 11.769 -3.195 1.00 0.00 H ATOM 485 N TRP A 360 16.331 11.236 -3.477 1.00 13.30 N ATOM 486 CA TRP A 360 15.008 10.710 -3.173 1.00 14.94 C ATOM 487 C TRP A 360 14.292 11.585 -2.153 1.00 14.01 C ATOM 488 O TRP A 360 13.113 11.898 -2.331 1.00 15.65 O ATOM 489 CB TRP A 360 15.112 9.265 -2.654 1.00 10.87 C ATOM 490 CG TRP A 360 13.889 8.802 -1.899 1.00 10.73 C ATOM 491 CD1 TRP A 360 12.725 8.315 -2.429 1.00 11.49 C ATOM 492 CD2 TRP A 360 13.731 8.776 -0.480 1.00 12.93 C ATOM 493 NE1 TRP A 360 11.845 7.997 -1.411 1.00 12.69 N ATOM 494 CE2 TRP A 360 12.441 8.270 -0.208 1.00 13.57 C ATOM 495 CE3 TRP A 360 14.553 9.141 0.592 1.00 11.50 C ATOM 496 CZ2 TRP A 360 11.959 8.113 1.095 1.00 11.54 C ATOM 497 CZ3 TRP A 360 14.075 8.988 1.878 1.00 10.48 C ATOM 498 CH2 TRP A 360 12.793 8.479 2.125 1.00 10.81 C ATOM 499 HE1 TRP A 360 10.887 7.613 -1.538 1.00 0.00 H ATOM 500 H TRP A 360 17.170 10.663 -3.254 1.00 0.00 H ATOM 501 N ALA A 361 15.001 11.988 -1.098 1.00 14.12 N ATOM 502 CA ALA A 361 14.372 12.747 -0.008 1.00 14.09 C ATOM 503 C ALA A 361 13.798 14.034 -0.565 1.00 13.94 C ATOM 504 O ALA A 361 12.701 14.459 -0.191 1.00 13.13 O ATOM 505 CB ALA A 361 15.389 13.028 1.129 1.00 10.49 C ATOM 506 H ALA A 361 16.015 11.762 -1.046 1.00 0.00 H ATOM 507 N LYS A 362 14.515 14.642 -1.501 1.00 13.07 N ATOM 508 CA LYS A 362 14.075 15.899 -2.070 1.00 13.68 C ATOM 509 C LYS A 362 12.801 15.743 -2.901 1.00 16.67 C ATOM 510 O LYS A 362 12.161 16.736 -3.249 1.00 18.19 O ATOM 511 CB LYS A 362 15.209 16.502 -2.910 1.00 13.32 C ATOM 512 CG LYS A 362 16.390 16.944 -2.051 1.00 17.37 C ATOM 513 CD LYS A 362 17.609 17.319 -2.861 1.00 18.39 C ATOM 514 CE LYS A 362 17.352 18.524 -3.740 1.00 20.60 C ATOM 515 NZ LYS A 362 18.604 18.934 -4.432 1.00 19.80 N ATOM 516 HZ1 LYS A 362 19.326 19.177 -3.724 1.00 0.00 H ATOM 517 HZ2 LYS A 362 18.946 18.149 -5.022 1.00 0.00 H ATOM 518 HZ3 LYS A 362 18.412 19.762 -5.031 1.00 0.00 H ATOM 519 H LYS A 362 15.403 14.211 -1.830 1.00 0.00 H ATOM 520 N ARG A 363 12.403 14.504 -3.185 1.00 15.79 N ATOM 521 CA ARG A 363 11.215 14.259 -4.004 1.00 18.55 C ATOM 522 C ARG A 363 10.025 13.793 -3.161 1.00 17.04 C ATOM 523 O ARG A 363 8.925 13.613 -3.684 1.00 18.55 O ATOM 524 CB ARG A 363 11.515 13.232 -5.103 1.00 20.65 C ATOM 525 CG ARG A 363 12.443 13.742 -6.195 1.00 22.00 C ATOM 526 CD ARG A 363 12.660 12.700 -7.284 1.00 25.85 C ATOM 527 NE ARG A 363 11.435 12.425 -8.031 1.00 33.44 N ATOM 528 CZ ARG A 363 11.375 11.651 -9.110 1.00 38.07 C ATOM 529 NH1 ARG A 363 10.218 11.459 -9.725 1.00 39.27 N ATOM 530 NH2 ARG A 363 12.472 11.071 -9.573 1.00 37.89 N ATOM 531 HE ARG A 363 10.553 12.863 -7.697 1.00 0.00 H ATOM 532 HH12 ARG A 363 10.172 10.853 -10.569 1.00 0.00 H ATOM 533 HH11 ARG A 363 9.355 11.914 -9.364 1.00 0.00 H ATOM 534 HH22 ARG A 363 12.423 10.466 -10.417 1.00 0.00 H ATOM 535 HH21 ARG A 363 13.382 11.221 -9.092 1.00 0.00 H ATOM 536 H ARG A 363 12.946 13.696 -2.818 1.00 0.00 H ATOM 537 N VAL A 364 10.261 13.608 -1.870 1.00 14.71 N ATOM 538 CA VAL A 364 9.178 13.325 -0.932 1.00 16.32 C ATOM 539 C VAL A 364 8.393 14.614 -0.663 1.00 18.72 C ATOM 540 O VAL A 364 8.968 15.615 -0.225 1.00 17.56 O ATOM 541 CB VAL A 364 9.726 12.732 0.387 1.00 14.96 C ATOM 542 CG1 VAL A 364 8.598 12.547 1.413 1.00 15.17 C ATOM 543 CG2 VAL A 364 10.488 11.422 0.112 1.00 14.83 C ATOM 544 H VAL A 364 11.238 13.666 -1.518 1.00 0.00 H ATOM 545 N PRO A 365 7.085 14.602 -0.961 1.00 21.10 N ATOM 546 CA PRO A 365 6.272 15.814 -0.836 1.00 22.69 C ATOM 547 C PRO A 365 6.502 16.548 0.481 1.00 22.26 C ATOM 548 O PRO A 365 6.500 15.937 1.545 1.00 22.11 O ATOM 549 CB PRO A 365 4.847 15.272 -0.946 1.00 23.40 C ATOM 550 CG PRO A 365 4.995 14.167 -1.943 1.00 24.25 C ATOM 551 CD PRO A 365 6.322 13.512 -1.612 1.00 20.43 C ATOM 552 N GLY A 366 6.754 17.851 0.390 1.00 21.79 N ATOM 553 CA GLY A 366 6.984 18.674 1.565 1.00 23.12 C ATOM 554 C GLY A 366 8.413 18.762 2.075 1.00 22.25 C ATOM 555 O GLY A 366 8.748 19.692 2.807 1.00 22.82 O ATOM 556 H GLY A 366 6.787 18.294 -0.550 1.00 0.00 H ATOM 557 N PHE A 367 9.267 17.817 1.702 1.00 19.52 N ATOM 558 CA PHE A 367 10.625 17.822 2.240 1.00 15.56 C ATOM 559 C PHE A 367 11.433 19.064 1.816 1.00 14.80 C ATOM 560 O PHE A 367 12.068 19.684 2.666 1.00 17.70 O ATOM 561 CB PHE A 367 11.369 16.541 1.838 1.00 15.39 C ATOM 562 CG PHE A 367 12.704 16.364 2.531 1.00 13.20 C ATOM 563 CD1 PHE A 367 12.772 15.843 3.815 1.00 13.39 C ATOM 564 CD2 PHE A 367 13.894 16.696 1.887 1.00 15.70 C ATOM 565 CE1 PHE A 367 13.982 15.673 4.458 1.00 11.45 C ATOM 566 CE2 PHE A 367 15.122 16.519 2.524 1.00 13.42 C ATOM 567 CZ PHE A 367 15.163 16.005 3.814 1.00 11.74 C ATOM 568 H PHE A 367 8.972 17.079 1.032 1.00 0.00 H ATOM 569 N VAL A 368 11.411 19.447 0.538 1.00 16.71 N ATOM 570 CA VAL A 368 12.272 20.577 0.146 1.00 22.79 C ATOM 571 C VAL A 368 11.744 21.914 0.610 1.00 25.49 C ATOM 572 O VAL A 368 12.445 22.921 0.499 1.00 29.54 O ATOM 573 CB VAL A 368 12.492 20.697 -1.378 1.00 26.83 C ATOM 574 CG1 VAL A 368 13.589 19.752 -1.829 1.00 27.04 C ATOM 575 CG2 VAL A 368 11.190 20.536 -2.157 1.00 26.51 C ATOM 576 H VAL A 368 10.807 18.965 -0.158 1.00 0.00 H ATOM 577 N ASP A 369 10.514 21.935 1.111 1.00 24.30 N ATOM 578 CA ASP A 369 9.973 23.159 1.691 1.00 28.26 C ATOM 579 C ASP A 369 10.593 23.447 3.053 1.00 24.58 C ATOM 580 O ASP A 369 10.495 24.564 3.562 1.00 23.60 O ATOM 581 CB ASP A 369 8.454 23.070 1.852 1.00 33.77 C ATOM 582 CG ASP A 369 7.733 22.865 0.538 1.00 40.00 C ATOM 583 OD1 ASP A 369 8.276 23.247 -0.518 1.00 41.83 O ATOM 584 OD2 ASP A 369 6.607 22.325 0.570 1.00 41.83 O ATOM 585 H ASP A 369 9.933 21.073 1.090 1.00 0.00 H ATOM 586 N LEU A 370 11.201 22.429 3.662 1.00 18.55 N ATOM 587 CA LEU A 370 11.822 22.586 4.965 1.00 15.09 C ATOM 588 C LEU A 370 13.100 23.383 4.799 1.00 17.87 C ATOM 589 O LEU A 370 13.676 23.394 3.715 1.00 14.38 O ATOM 590 CB LEU A 370 12.125 21.221 5.596 1.00 14.31 C ATOM 591 CG LEU A 370 10.926 20.293 5.794 1.00 15.93 C ATOM 592 CD1 LEU A 370 11.344 18.884 6.254 1.00 18.13 C ATOM 593 CD2 LEU A 370 9.944 20.955 6.758 1.00 18.08 C ATOM 594 H LEU A 370 11.231 21.501 3.193 1.00 0.00 H ATOM 595 N THR A 371 13.529 24.071 5.851 1.00 17.11 N ATOM 596 CA THR A 371 14.849 24.697 5.830 1.00 18.03 C ATOM 597 C THR A 371 15.921 23.648 5.587 1.00 16.64 C ATOM 598 O THR A 371 15.731 22.474 5.915 1.00 17.24 O ATOM 599 CB THR A 371 15.170 25.407 7.144 1.00 18.33 C ATOM 600 OG1 THR A 371 15.355 24.428 8.176 1.00 15.77 O ATOM 601 CG2 THR A 371 14.053 26.361 7.528 1.00 17.26 C ATOM 602 HG1 THR A 371 15.563 24.885 9.029 1.00 0.00 H ATOM 603 H THR A 371 12.924 24.164 6.692 1.00 0.00 H ATOM 604 N LEU A 372 17.053 24.073 5.033 1.00 14.06 N ATOM 605 CA LEU A 372 18.179 23.168 4.809 1.00 13.39 C ATOM 606 C LEU A 372 18.620 22.497 6.109 1.00 15.05 C ATOM 607 O LEU A 372 18.927 21.307 6.123 1.00 14.28 O ATOM 608 CB LEU A 372 19.359 23.921 4.170 1.00 14.25 C ATOM 609 CG LEU A 372 19.192 24.291 2.691 1.00 17.18 C ATOM 610 CD1 LEU A 372 20.375 25.117 2.184 1.00 15.66 C ATOM 611 CD2 LEU A 372 18.979 23.050 1.826 1.00 15.45 C ATOM 612 H LEU A 372 17.139 25.071 4.753 1.00 0.00 H ATOM 613 N HIS A 373 18.628 23.247 7.211 1.00 16.08 N ATOM 614 CA HIS A 373 18.984 22.678 8.510 1.00 15.31 C ATOM 615 C HIS A 373 18.051 21.544 8.926 1.00 13.83 C ATOM 616 O HIS A 373 18.498 20.533 9.471 1.00 14.52 O ATOM 617 CB HIS A 373 18.972 23.758 9.593 1.00 14.64 C ATOM 618 CG HIS A 373 19.998 24.825 9.391 1.00 21.13 C ATOM 619 ND1 HIS A 373 21.249 24.571 8.863 1.00 21.97 N ATOM 620 CD2 HIS A 373 19.955 26.158 9.634 1.00 23.46 C ATOM 621 CE1 HIS A 373 21.931 25.699 8.797 1.00 21.31 C ATOM 622 NE2 HIS A 373 21.169 26.677 9.258 1.00 23.51 N ATOM 623 H HIS A 373 18.377 24.254 7.146 1.00 0.00 H ATOM 624 N ASP A 374 16.754 21.701 8.683 1.00 13.35 N ATOM 625 CA ASP A 374 15.806 20.661 9.055 1.00 15.14 C ATOM 626 C ASP A 374 15.919 19.461 8.120 1.00 15.42 C ATOM 627 O ASP A 374 15.814 18.328 8.559 1.00 12.38 O ATOM 628 CB ASP A 374 14.373 21.190 9.055 1.00 17.44 C ATOM 629 CG ASP A 374 14.085 22.095 10.242 1.00 23.10 C ATOM 630 OD1 ASP A 374 14.894 22.121 11.194 1.00 25.69 O ATOM 631 OD2 ASP A 374 13.040 22.776 10.220 1.00 26.84 O ATOM 632 H ASP A 374 16.415 22.571 8.225 1.00 0.00 H ATOM 633 N GLN A 375 16.145 19.717 6.836 1.00 11.08 N ATOM 634 CA GLN A 375 16.427 18.625 5.904 1.00 12.02 C ATOM 635 C GLN A 375 17.643 17.797 6.353 1.00 13.83 C ATOM 636 O GLN A 375 17.596 16.569 6.350 1.00 10.71 O ATOM 637 CB GLN A 375 16.665 19.167 4.493 1.00 13.02 C ATOM 638 CG GLN A 375 15.476 19.865 3.847 1.00 12.40 C ATOM 639 CD GLN A 375 15.799 20.351 2.444 1.00 16.81 C ATOM 640 OE1 GLN A 375 16.551 19.707 1.714 1.00 14.89 O ATOM 641 NE2 GLN A 375 15.241 21.499 2.068 1.00 19.82 N ATOM 642 HE22 GLN A 375 14.611 22.009 2.720 1.00 0.00 H ATOM 643 HE21 GLN A 375 15.435 21.886 1.122 1.00 0.00 H ATOM 644 H GLN A 375 16.121 20.698 6.492 1.00 0.00 H ATOM 645 N VAL A 376 18.724 18.484 6.728 1.00 13.48 N ATOM 646 CA VAL A 376 19.934 17.820 7.230 1.00 11.59 C ATOM 647 C VAL A 376 19.614 16.981 8.469 1.00 13.56 C ATOM 648 O VAL A 376 19.945 15.794 8.536 1.00 12.54 O ATOM 649 CB VAL A 376 21.044 18.871 7.562 1.00 14.85 C ATOM 650 CG1 VAL A 376 22.153 18.277 8.429 1.00 13.81 C ATOM 651 CG2 VAL A 376 21.623 19.464 6.280 1.00 14.61 C ATOM 652 H VAL A 376 18.709 19.522 6.663 1.00 0.00 H ATOM 653 N HIS A 377 18.936 17.597 9.431 1.00 13.40 N ATOM 654 CA HIS A 377 18.593 16.912 10.664 1.00 16.15 C ATOM 655 C HIS A 377 17.758 15.634 10.435 1.00 16.07 C ATOM 656 O HIS A 377 18.087 14.580 10.984 1.00 14.69 O ATOM 657 CB HIS A 377 17.851 17.872 11.596 1.00 18.59 C ATOM 658 CG HIS A 377 17.381 17.224 12.855 1.00 20.73 C ATOM 659 ND1 HIS A 377 18.243 16.803 13.846 1.00 23.26 N ATOM 660 CD2 HIS A 377 16.133 16.896 13.268 1.00 20.81 C ATOM 661 CE1 HIS A 377 17.548 16.253 14.820 1.00 25.96 C ATOM 662 NE2 HIS A 377 16.265 16.294 14.497 1.00 25.25 N ATOM 663 H HIS A 377 18.646 18.587 9.299 1.00 0.00 H ATOM 664 N LEU A 378 16.708 15.729 9.620 1.00 11.03 N ATOM 665 CA LEU A 378 15.865 14.552 9.353 1.00 9.20 C ATOM 666 C LEU A 378 16.664 13.427 8.709 1.00 8.26 C ATOM 667 O LEU A 378 16.537 12.274 9.109 1.00 10.71 O ATOM 668 CB LEU A 378 14.688 14.921 8.443 1.00 9.49 C ATOM 669 CG LEU A 378 13.616 15.800 9.081 1.00 11.33 C ATOM 670 CD1 LEU A 378 12.521 16.062 8.062 1.00 13.31 C ATOM 671 CD2 LEU A 378 13.085 15.139 10.352 1.00 12.34 C ATOM 672 H LEU A 378 16.483 16.639 9.170 1.00 0.00 H ATOM 673 N LEU A 379 17.496 13.768 7.722 1.00 10.38 N ATOM 674 CA LEU A 379 18.301 12.742 7.066 1.00 11.87 C ATOM 675 C LEU A 379 19.366 12.164 8.007 1.00 11.63 C ATOM 676 O LEU A 379 19.574 10.956 8.024 1.00 10.48 O ATOM 677 CB LEU A 379 18.959 13.305 5.796 1.00 8.17 C ATOM 678 CG LEU A 379 18.085 13.315 4.531 1.00 10.79 C ATOM 679 CD1 LEU A 379 18.701 14.175 3.430 1.00 10.79 C ATOM 680 CD2 LEU A 379 17.846 11.899 4.039 1.00 12.37 C ATOM 681 H LEU A 379 17.570 14.761 7.422 1.00 0.00 H ATOM 682 N GLU A 380 20.028 13.017 8.790 1.00 10.00 N ATOM 683 CA GLU A 380 20.995 12.512 9.776 1.00 10.78 C ATOM 684 C GLU A 380 20.343 11.540 10.759 1.00 13.53 C ATOM 685 O GLU A 380 20.969 10.497 11.125 1.00 12.77 O ATOM 686 CB GLU A 380 21.624 13.663 10.561 1.00 13.53 C ATOM 687 CG GLU A 380 22.505 14.553 9.722 1.00 12.21 C ATOM 688 CD GLU A 380 23.214 15.610 10.542 1.00 16.74 C ATOM 689 OE1 GLU A 380 24.343 15.983 10.165 1.00 17.84 O ATOM 690 OE2 GLU A 380 22.644 16.067 11.548 1.00 15.98 O ATOM 691 H GLU A 380 19.860 14.040 8.703 1.00 0.00 H TER 692 GLU A 380 ATOM 693 N ALA A 382 17.513 9.717 10.297 1.00 11.32 N ATOM 694 CA ALA A 382 16.843 8.569 9.673 1.00 11.90 C ATOM 695 C ALA A 382 17.649 7.705 8.706 1.00 10.49 C ATOM 696 O ALA A 382 17.141 6.675 8.283 1.00 9.15 O ATOM 697 CB ALA A 382 15.571 9.059 8.927 1.00 9.31 C ATOM 698 HN3 ALA A 382 17.838 10.371 9.557 1.00 0.00 H ATOM 699 HN2 ALA A 382 18.329 9.383 10.849 1.00 0.00 H ATOM 700 HN1 ALA A 382 16.845 10.207 10.926 1.00 0.00 H ATOM 701 N TRP A 383 18.861 8.104 8.330 1.00 11.08 N ATOM 702 CA TRP A 383 19.480 7.479 7.150 1.00 10.27 C ATOM 703 C TRP A 383 19.629 5.960 7.295 1.00 9.77 C ATOM 704 O TRP A 383 19.420 5.225 6.327 1.00 7.69 O ATOM 705 CB TRP A 383 20.852 8.092 6.843 1.00 8.00 C ATOM 706 CG TRP A 383 21.899 7.830 7.902 1.00 12.45 C ATOM 707 CD1 TRP A 383 22.101 8.554 9.037 1.00 14.09 C ATOM 708 CD2 TRP A 383 22.870 6.776 7.910 1.00 10.97 C ATOM 709 NE1 TRP A 383 23.145 8.016 9.760 1.00 15.29 N ATOM 710 CE2 TRP A 383 23.639 6.930 9.090 1.00 14.19 C ATOM 711 CE3 TRP A 383 23.186 5.722 7.045 1.00 12.01 C ATOM 712 CZ2 TRP A 383 24.682 6.058 9.423 1.00 14.77 C ATOM 713 CZ3 TRP A 383 24.220 4.865 7.374 1.00 11.91 C ATOM 714 CH2 TRP A 383 24.954 5.040 8.554 1.00 10.17 C ATOM 715 HE1 TRP A 383 23.500 8.378 10.668 1.00 0.00 H ATOM 716 H TRP A 383 19.362 8.845 8.861 1.00 0.00 H ATOM 717 N LEU A 384 19.965 5.506 8.498 1.00 8.81 N ATOM 718 CA LEU A 384 20.186 4.061 8.648 1.00 8.86 C ATOM 719 C LEU A 384 18.864 3.304 8.756 1.00 8.24 C ATOM 720 O LEU A 384 18.785 2.187 8.271 1.00 9.25 O ATOM 721 CB LEU A 384 21.086 3.759 9.862 1.00 8.60 C ATOM 722 CG LEU A 384 21.522 2.280 10.002 1.00 8.86 C ATOM 723 CD1 LEU A 384 22.132 1.677 8.705 1.00 6.90 C ATOM 724 CD2 LEU A 384 22.448 2.066 11.208 1.00 11.97 C ATOM 725 H LEU A 384 20.068 6.152 9.306 1.00 0.00 H ATOM 726 N GLU A 385 17.831 3.897 9.371 1.00 7.13 N ATOM 727 CA GLU A 385 16.491 3.320 9.293 1.00 7.27 C ATOM 728 C GLU A 385 16.036 3.167 7.837 1.00 8.79 C ATOM 729 O GLU A 385 15.412 2.177 7.467 1.00 11.96 O ATOM 730 CB GLU A 385 15.463 4.192 10.028 1.00 7.48 C ATOM 731 CG GLU A 385 15.609 4.243 11.532 1.00 8.79 C ATOM 732 CD GLU A 385 14.455 5.004 12.172 1.00 10.70 C ATOM 733 OE1 GLU A 385 14.646 6.190 12.498 1.00 13.09 O ATOM 734 OE2 GLU A 385 13.361 4.421 12.321 1.00 13.24 O ATOM 735 H GLU A 385 17.985 4.774 9.908 1.00 0.00 H ATOM 736 N ILE A 386 16.362 4.168 7.025 1.00 9.61 N ATOM 737 CA ILE A 386 15.922 4.178 5.638 1.00 11.11 C ATOM 738 C ILE A 386 16.698 3.107 4.843 1.00 12.53 C ATOM 739 O ILE A 386 16.095 2.356 4.084 1.00 9.81 O ATOM 740 CB ILE A 386 16.088 5.609 5.034 1.00 8.26 C ATOM 741 CG1 ILE A 386 15.094 6.570 5.721 1.00 10.02 C ATOM 742 CG2 ILE A 386 15.850 5.625 3.533 1.00 8.04 C ATOM 743 CD1 ILE A 386 15.370 8.054 5.480 1.00 10.50 C ATOM 744 H ILE A 386 16.939 4.954 7.386 1.00 0.00 H ATOM 745 N LEU A 387 18.009 2.985 5.070 1.00 13.30 N ATOM 746 CA LEU A 387 18.746 1.898 4.421 1.00 7.03 C ATOM 747 C LEU A 387 18.222 0.528 4.843 1.00 7.25 C ATOM 748 O LEU A 387 18.106 -0.376 4.017 1.00 11.79 O ATOM 749 CB LEU A 387 20.241 1.968 4.743 1.00 7.47 C ATOM 750 CG LEU A 387 21.060 3.104 4.129 1.00 8.22 C ATOM 751 CD1 LEU A 387 22.517 2.973 4.535 1.00 11.05 C ATOM 752 CD2 LEU A 387 20.904 3.152 2.612 1.00 8.80 C ATOM 753 H LEU A 387 18.499 3.653 5.699 1.00 0.00 H ATOM 754 N MET A 388 17.903 0.389 6.127 1.00 8.71 N ATOM 755 CA MET A 388 17.447 -0.897 6.642 1.00 7.61 C ATOM 756 C MET A 388 16.052 -1.288 6.165 1.00 8.00 C ATOM 757 O MET A 388 15.817 -2.464 5.857 1.00 10.46 O ATOM 758 CB MET A 388 17.479 -0.869 8.172 1.00 7.57 C ATOM 759 CG MET A 388 18.873 -0.956 8.743 1.00 7.43 C ATOM 760 SD MET A 388 18.825 -0.928 10.537 1.00 11.74 S ATOM 761 CE MET A 388 20.496 -1.460 10.880 1.00 13.54 C ATOM 762 H MET A 388 17.979 1.204 6.769 1.00 0.00 H ATOM 763 N ILE A 389 15.115 -0.341 6.079 1.00 10.88 N ATOM 764 CA ILE A 389 13.779 -0.737 5.636 1.00 9.40 C ATOM 765 C ILE A 389 13.863 -1.097 4.159 1.00 11.25 C ATOM 766 O ILE A 389 13.169 -1.996 3.700 1.00 12.16 O ATOM 767 CB ILE A 389 12.686 0.359 5.891 1.00 11.69 C ATOM 768 CG1 ILE A 389 11.281 -0.258 5.763 1.00 12.90 C ATOM 769 CG2 ILE A 389 12.852 1.594 4.990 1.00 12.14 C ATOM 770 CD1 ILE A 389 10.143 0.759 5.801 1.00 11.45 C ATOM 771 H ILE A 389 15.329 0.648 6.320 1.00 0.00 H ATOM 772 N GLY A 390 14.747 -0.428 3.423 1.00 9.87 N ATOM 773 CA GLY A 390 14.959 -0.792 2.033 1.00 10.78 C ATOM 774 C GLY A 390 15.553 -2.182 1.911 1.00 12.27 C ATOM 775 O GLY A 390 15.091 -3.000 1.110 1.00 13.39 O ATOM 776 H GLY A 390 15.286 0.356 3.843 1.00 0.00 H ATOM 777 N LEU A 391 16.582 -2.449 2.704 1.00 11.31 N ATOM 778 CA LEU A 391 17.152 -3.799 2.752 1.00 12.48 C ATOM 779 C LEU A 391 16.082 -4.847 3.071 1.00 12.51 C ATOM 780 O LEU A 391 16.003 -5.875 2.405 1.00 12.28 O ATOM 781 CB LEU A 391 18.275 -3.867 3.784 1.00 11.57 C ATOM 782 CG LEU A 391 18.873 -5.261 4.023 1.00 10.02 C ATOM 783 CD1 LEU A 391 19.565 -5.803 2.773 1.00 12.16 C ATOM 784 CD2 LEU A 391 19.835 -5.208 5.191 1.00 10.93 C ATOM 785 H LEU A 391 16.987 -1.696 3.296 1.00 0.00 H ATOM 786 N VAL A 392 15.264 -4.585 4.086 1.00 11.32 N ATOM 787 CA VAL A 392 14.258 -5.574 4.474 1.00 13.66 C ATOM 788 C VAL A 392 13.227 -5.786 3.353 1.00 14.06 C ATOM 789 O VAL A 392 12.827 -6.918 3.074 1.00 15.42 O ATOM 790 CB VAL A 392 13.559 -5.157 5.791 1.00 16.33 C ATOM 791 CG1 VAL A 392 12.312 -5.991 6.026 1.00 19.10 C ATOM 792 CG2 VAL A 392 14.519 -5.316 6.960 1.00 16.76 C ATOM 793 H VAL A 392 15.339 -3.684 4.600 1.00 0.00 H ATOM 794 N TRP A 393 12.840 -4.695 2.700 1.00 13.98 N ATOM 795 CA TRP A 393 11.928 -4.794 1.564 1.00 13.71 C ATOM 796 C TRP A 393 12.540 -5.660 0.436 1.00 12.75 C ATOM 797 O TRP A 393 11.879 -6.584 -0.048 1.00 13.84 O ATOM 798 CB TRP A 393 11.569 -3.381 1.070 1.00 15.27 C ATOM 799 CG TRP A 393 10.842 -3.402 -0.218 1.00 15.65 C ATOM 800 CD1 TRP A 393 11.321 -3.000 -1.430 1.00 17.60 C ATOM 801 CD2 TRP A 393 9.518 -3.895 -0.449 1.00 16.61 C ATOM 802 NE1 TRP A 393 10.368 -3.197 -2.400 1.00 17.58 N ATOM 803 CE2 TRP A 393 9.250 -3.746 -1.824 1.00 17.99 C ATOM 804 CE3 TRP A 393 8.530 -4.440 0.378 1.00 19.47 C ATOM 805 CZ2 TRP A 393 8.036 -4.125 -2.391 1.00 19.28 C ATOM 806 CZ3 TRP A 393 7.322 -4.815 -0.189 1.00 20.77 C ATOM 807 CH2 TRP A 393 7.086 -4.654 -1.559 1.00 20.90 C ATOM 808 HE1 TRP A 393 10.477 -2.967 -3.408 1.00 0.00 H ATOM 809 H TRP A 393 13.190 -3.763 3.001 1.00 0.00 H ATOM 810 N ARG A 394 13.794 -5.376 0.051 1.00 14.49 N ATOM 811 CA ARG A 394 14.494 -6.133 -1.016 1.00 15.91 C ATOM 812 C ARG A 394 14.623 -7.606 -0.714 1.00 15.21 C ATOM 813 O ARG A 394 14.685 -8.437 -1.627 1.00 16.39 O ATOM 814 CB ARG A 394 15.926 -5.613 -1.223 1.00 19.17 C ATOM 815 CG ARG A 394 16.077 -4.207 -1.695 1.00 20.54 C ATOM 816 CD ARG A 394 17.472 -4.002 -2.271 1.00 19.57 C ATOM 817 NE ARG A 394 18.576 -3.941 -1.305 1.00 14.82 N ATOM 818 CZ ARG A 394 18.816 -2.909 -0.509 1.00 16.45 C ATOM 819 NH1 ARG A 394 17.997 -1.869 -0.507 1.00 16.05 N ATOM 820 NH2 ARG A 394 19.864 -2.920 0.309 1.00 13.81 N ATOM 821 HE ARG A 394 19.212 -4.762 -1.241 1.00 0.00 H ATOM 822 HH12 ARG A 394 18.186 -1.059 0.118 1.00 0.00 H ATOM 823 HH11 ARG A 394 17.165 -1.861 -1.130 1.00 0.00 H ATOM 824 HH22 ARG A 394 20.047 -2.107 0.931 1.00 0.00 H ATOM 825 HH21 ARG A 394 20.501 -3.742 0.327 1.00 0.00 H ATOM 826 H ARG A 394 14.295 -4.594 0.519 1.00 0.00 H ATOM 827 N SER A 395 14.705 -7.909 0.576 1.00 16.71 N ATOM 828 CA SER A 395 14.945 -9.263 1.053 1.00 14.93 C ATOM 829 C SER A 395 13.671 -10.093 1.247 1.00 18.61 C ATOM 830 O SER A 395 13.753 -11.282 1.548 1.00 18.91 O ATOM 831 CB SER A 395 15.709 -9.205 2.382 1.00 14.94 C ATOM 832 OG SER A 395 16.918 -8.475 2.244 1.00 15.71 O ATOM 833 HG SER A 395 16.713 -7.551 1.955 1.00 0.00 H ATOM 834 H SER A 395 14.593 -7.147 1.275 1.00 0.00 H ATOM 835 N MET A 396 12.497 -9.491 1.076 1.00 17.93 N ATOM 836 CA MET A 396 11.242 -10.197 1.353 1.00 21.81 C ATOM 837 C MET A 396 11.074 -11.520 0.635 1.00 24.41 C ATOM 838 O MET A 396 10.608 -12.504 1.218 1.00 29.27 O ATOM 839 CB MET A 396 10.058 -9.320 0.979 1.00 25.43 C ATOM 840 CG MET A 396 9.532 -8.499 2.105 1.00 26.03 C ATOM 841 SD MET A 396 7.978 -7.741 1.595 1.00 37.29 S ATOM 842 CE MET A 396 6.823 -9.131 1.679 1.00 35.08 C ATOM 843 H MET A 396 12.469 -8.507 0.741 1.00 0.00 H ATOM 844 N GLU A 397 11.424 -11.555 -0.641 1.00 22.26 N ATOM 845 CA GLU A 397 11.222 -12.772 -1.404 1.00 28.95 C ATOM 846 C GLU A 397 12.445 -13.701 -1.330 1.00 28.43 C ATOM 847 O GLU A 397 12.560 -14.632 -2.123 1.00 29.71 O ATOM 848 CB GLU A 397 10.871 -12.445 -2.865 1.00 32.09 C ATOM 849 CG GLU A 397 9.441 -11.885 -3.136 1.00 78.33 C ATOM 850 CD GLU A 397 8.337 -12.373 -2.185 1.00 79.56 C ATOM 851 OE1 GLU A 397 8.261 -13.580 -1.869 1.00 80.60 O ATOM 852 OE2 GLU A 397 7.519 -11.524 -1.767 1.00 79.27 O ATOM 853 H GLU A 397 11.841 -10.716 -1.093 1.00 0.00 H ATOM 854 N HIS A 398 13.335 -13.465 -0.361 1.00 24.78 N ATOM 855 CA HIS A 398 14.485 -14.344 -0.107 1.00 24.37 C ATOM 856 C HIS A 398 14.545 -14.821 1.351 1.00 25.55 C ATOM 857 O HIS A 398 15.373 -14.328 2.116 1.00 23.41 O ATOM 858 CB HIS A 398 15.798 -13.625 -0.455 1.00 25.84 C ATOM 859 CG HIS A 398 15.878 -13.167 -1.877 1.00 31.35 C ATOM 860 ND1 HIS A 398 16.503 -13.902 -2.864 1.00 33.16 N ATOM 861 CD2 HIS A 398 15.403 -12.050 -2.482 1.00 32.47 C ATOM 862 CE1 HIS A 398 16.407 -13.257 -4.014 1.00 35.19 C ATOM 863 NE2 HIS A 398 15.746 -12.132 -3.810 1.00 35.06 N ATOM 864 H HIS A 398 13.208 -12.624 0.238 1.00 0.00 H ATOM 865 N PRO A 399 13.685 -15.775 1.746 1.00 26.52 N ATOM 866 CA PRO A 399 13.666 -16.238 3.142 1.00 26.22 C ATOM 867 C PRO A 399 15.058 -16.625 3.676 1.00 21.56 C ATOM 868 O PRO A 399 15.831 -17.291 2.981 1.00 19.05 O ATOM 869 CB PRO A 399 12.736 -17.456 3.098 1.00 30.70 C ATOM 870 CG PRO A 399 11.847 -17.212 1.919 1.00 31.02 C ATOM 871 CD PRO A 399 12.661 -16.449 0.918 1.00 29.28 C ATOM 872 N GLY A 400 15.376 -16.190 4.891 1.00 19.55 N ATOM 873 CA GLY A 400 16.666 -16.469 5.499 1.00 19.17 C ATOM 874 C GLY A 400 17.876 -15.737 4.935 1.00 20.75 C ATOM 875 O GLY A 400 19.006 -16.010 5.336 1.00 20.40 O ATOM 876 H GLY A 400 14.679 -15.632 5.424 1.00 0.00 H ATOM 877 N LYS A 401 17.660 -14.810 4.004 1.00 18.51 N ATOM 878 CA LYS A 401 18.781 -14.092 3.406 1.00 21.78 C ATOM 879 C LYS A 401 18.524 -12.589 3.375 1.00 18.55 C ATOM 880 O LYS A 401 17.374 -12.150 3.356 1.00 18.20 O ATOM 881 CB LYS A 401 19.054 -14.608 1.984 1.00 28.28 C ATOM 882 CG LYS A 401 19.800 -15.939 1.909 1.00 36.67 C ATOM 883 CD LYS A 401 19.407 -16.743 0.663 1.00 42.64 C ATOM 884 CE LYS A 401 20.624 -17.301 -0.069 1.00 48.85 C ATOM 885 NZ LYS A 401 21.528 -18.087 0.814 1.00 51.60 N ATOM 886 HZ1 LYS A 401 21.874 -17.479 1.583 1.00 0.00 H ATOM 887 HZ2 LYS A 401 21.005 -18.892 1.215 1.00 0.00 H ATOM 888 HZ3 LYS A 401 22.334 -18.438 0.258 1.00 0.00 H ATOM 889 H LYS A 401 16.688 -14.597 3.702 1.00 0.00 H ATOM 890 N LEU A 402 19.601 -11.811 3.389 1.00 17.47 N ATOM 891 CA LEU A 402 19.512 -10.367 3.241 1.00 16.49 C ATOM 892 C LEU A 402 20.099 -9.959 1.900 1.00 16.58 C ATOM 893 O LEU A 402 21.268 -10.218 1.621 1.00 14.48 O ATOM 894 CB LEU A 402 20.235 -9.661 4.387 1.00 16.38 C ATOM 895 CG LEU A 402 19.619 -9.941 5.759 1.00 18.74 C ATOM 896 CD1 LEU A 402 20.447 -9.376 6.916 1.00 18.51 C ATOM 897 CD2 LEU A 402 18.193 -9.409 5.767 1.00 15.61 C ATOM 898 H LEU A 402 20.537 -12.248 3.510 1.00 0.00 H ATOM 899 N LEU A 403 19.267 -9.347 1.063 1.00 13.04 N ATOM 900 CA LEU A 403 19.693 -8.980 -0.275 1.00 13.93 C ATOM 901 C LEU A 403 20.253 -7.565 -0.211 1.00 16.49 C ATOM 902 O LEU A 403 19.552 -6.607 -0.513 1.00 16.07 O ATOM 903 CB LEU A 403 18.516 -9.079 -1.270 1.00 15.77 C ATOM 904 CG LEU A 403 18.913 -9.104 -2.750 1.00 21.68 C ATOM 905 CD1 LEU A 403 17.855 -9.812 -3.571 1.00 24.07 C ATOM 906 CD2 LEU A 403 19.137 -7.705 -3.286 1.00 23.54 C ATOM 907 H LEU A 403 18.298 -9.128 1.371 1.00 0.00 H ATOM 908 N PHE A 404 21.500 -7.445 0.227 1.00 16.60 N ATOM 909 CA PHE A 404 22.142 -6.126 0.292 1.00 15.36 C ATOM 910 C PHE A 404 22.230 -5.540 -1.105 1.00 14.77 C ATOM 911 O PHE A 404 22.016 -4.338 -1.303 1.00 13.19 O ATOM 912 CB PHE A 404 23.528 -6.213 0.937 1.00 13.02 C ATOM 913 CG PHE A 404 23.475 -6.322 2.439 1.00 12.56 C ATOM 914 CD1 PHE A 404 23.367 -5.182 3.216 1.00 10.23 C ATOM 915 CD2 PHE A 404 23.474 -7.567 3.053 1.00 9.92 C ATOM 916 CE1 PHE A 404 23.277 -5.274 4.605 1.00 11.19 C ATOM 917 CE2 PHE A 404 23.389 -7.666 4.442 1.00 12.38 C ATOM 918 CZ PHE A 404 23.292 -6.517 5.218 1.00 11.52 C ATOM 919 H PHE A 404 22.026 -8.291 0.526 1.00 0.00 H ATOM 920 N ALA A 405 22.549 -6.417 -2.054 1.00 13.22 N ATOM 921 CA ALA A 405 22.637 -6.116 -3.478 1.00 16.19 C ATOM 922 C ALA A 405 22.359 -7.405 -4.244 1.00 16.84 C ATOM 923 O ALA A 405 22.398 -8.493 -3.665 1.00 17.40 O ATOM 924 CB ALA A 405 24.011 -5.563 -3.840 1.00 16.02 C ATOM 925 H ALA A 405 22.751 -7.393 -1.757 1.00 0.00 H ATOM 926 N PRO A 406 22.066 -7.290 -5.545 1.00 20.36 N ATOM 927 CA PRO A 406 21.813 -8.489 -6.341 1.00 22.11 C ATOM 928 C PRO A 406 23.016 -9.409 -6.367 1.00 23.90 C ATOM 929 O PRO A 406 22.851 -10.611 -6.541 1.00 25.69 O ATOM 930 CB PRO A 406 21.512 -7.917 -7.730 1.00 21.76 C ATOM 931 CG PRO A 406 20.909 -6.579 -7.425 1.00 20.93 C ATOM 932 CD PRO A 406 21.742 -6.060 -6.281 1.00 20.59 C ATOM 933 N ASN A 407 24.207 -8.863 -6.155 1.00 23.39 N ATOM 934 CA ASN A 407 25.410 -9.684 -6.140 1.00 22.61 C ATOM 935 C ASN A 407 25.946 -9.867 -4.726 1.00 22.63 C ATOM 936 O ASN A 407 27.084 -10.292 -4.540 1.00 24.07 O ATOM 937 CB ASN A 407 26.481 -9.082 -7.053 1.00 23.21 C ATOM 938 CG ASN A 407 27.071 -7.794 -6.508 1.00 22.00 C ATOM 939 OD1 ASN A 407 26.413 -7.053 -5.778 1.00 19.72 O ATOM 940 ND2 ASN A 407 28.317 -7.516 -6.873 1.00 21.40 N ATOM 941 HD22 ASN A 407 28.836 -8.171 -7.492 1.00 0.00 H ATOM 942 HD21 ASN A 407 28.774 -6.643 -6.540 1.00 0.00 H ATOM 943 H ASN A 407 24.282 -7.838 -5.998 1.00 0.00 H ATOM 944 N LEU A 408 25.121 -9.546 -3.720 1.00 19.40 N ATOM 945 CA LEU A 408 25.512 -9.670 -2.325 1.00 18.01 C ATOM 946 C LEU A 408 24.307 -10.084 -1.470 1.00 18.29 C ATOM 947 O LEU A 408 23.643 -9.256 -0.854 1.00 17.30 O ATOM 948 CB LEU A 408 26.124 -8.358 -1.804 1.00 17.74 C ATOM 949 CG LEU A 408 26.802 -8.424 -0.433 1.00 20.15 C ATOM 950 CD1 LEU A 408 27.889 -9.502 -0.401 1.00 21.03 C ATOM 951 CD2 LEU A 408 27.337 -7.054 0.009 1.00 18.74 C ATOM 952 H LEU A 408 24.168 -9.196 -3.945 1.00 0.00 H ATOM 953 N LEU A 409 24.039 -11.382 -1.487 1.00 15.03 N ATOM 954 CA LEU A 409 22.915 -11.993 -0.788 1.00 19.84 C ATOM 955 C LEU A 409 23.496 -12.816 0.361 1.00 18.99 C ATOM 956 O LEU A 409 24.095 -13.865 0.128 1.00 20.72 O ATOM 957 CB LEU A 409 22.105 -12.864 -1.762 1.00 23.75 C ATOM 958 CG LEU A 409 20.823 -13.593 -1.355 1.00 25.20 C ATOM 959 CD1 LEU A 409 19.765 -12.606 -0.920 1.00 24.24 C ATOM 960 CD2 LEU A 409 20.317 -14.449 -2.508 1.00 25.97 C ATOM 961 H LEU A 409 24.670 -12.003 -2.033 1.00 0.00 H ATOM 962 N LEU A 410 23.346 -12.326 1.588 1.00 19.31 N ATOM 963 CA LEU A 410 24.040 -12.915 2.740 1.00 18.73 C ATOM 964 C LEU A 410 23.085 -13.635 3.691 1.00 20.70 C ATOM 965 O LEU A 410 21.948 -13.203 3.881 1.00 20.85 O ATOM 966 CB LEU A 410 24.816 -11.828 3.496 1.00 16.92 C ATOM 967 CG LEU A 410 25.875 -11.085 2.667 1.00 17.46 C ATOM 968 CD1 LEU A 410 26.557 -9.998 3.474 1.00 14.46 C ATOM 969 CD2 LEU A 410 26.899 -12.058 2.131 1.00 18.20 C ATOM 970 H LEU A 410 22.723 -11.507 1.735 1.00 0.00 H ATOM 971 N ASP A 411 23.558 -14.740 4.269 1.00 21.13 N ATOM 972 CA ASP A 411 22.796 -15.510 5.255 1.00 20.66 C ATOM 973 C ASP A 411 23.341 -15.180 6.674 1.00 22.68 C ATOM 974 O ASP A 411 24.351 -14.479 6.809 1.00 23.31 O ATOM 975 CB ASP A 411 22.818 -17.037 4.886 1.00 27.08 C ATOM 976 CG ASP A 411 24.258 -17.657 4.799 1.00 36.21 C ATOM 977 OD1 ASP A 411 24.930 -17.487 5.832 1.00 32.18 O ATOM 978 OD2 ASP A 411 24.720 -18.300 3.779 1.00 44.46 O ATOM 979 H ASP A 411 24.509 -15.069 4.008 1.00 0.00 H ATOM 980 N ARG A 412 22.653 -15.617 7.724 1.00 21.85 N ATOM 981 CA ARG A 412 23.072 -15.240 9.076 1.00 23.12 C ATOM 982 C ARG A 412 24.441 -15.827 9.421 1.00 23.62 C ATOM 983 O ARG A 412 25.175 -15.260 10.226 1.00 25.22 O ATOM 984 CB ARG A 412 22.034 -15.674 10.112 1.00 25.12 C ATOM 985 CG ARG A 412 22.092 -17.139 10.477 1.00 28.98 C ATOM 986 CD ARG A 412 21.048 -17.467 11.526 1.00 31.50 C ATOM 987 NE ARG A 412 21.249 -16.738 12.776 1.00 30.72 N ATOM 988 CZ ARG A 412 22.003 -17.174 13.777 1.00 32.55 C ATOM 989 NH1 ARG A 412 22.637 -18.332 13.679 1.00 32.01 N ATOM 990 NH2 ARG A 412 22.128 -16.448 14.879 1.00 30.61 N ATOM 991 HE ARG A 412 20.772 -15.821 12.888 1.00 0.00 H ATOM 992 HH12 ARG A 412 23.227 -18.670 14.466 1.00 0.00 H ATOM 993 HH11 ARG A 412 22.545 -18.904 12.815 1.00 0.00 H ATOM 994 HH22 ARG A 412 22.719 -16.791 15.663 1.00 0.00 H ATOM 995 HH21 ARG A 412 21.635 -15.536 14.960 1.00 0.00 H ATOM 996 H ARG A 412 21.820 -16.224 7.586 1.00 0.00 H ATOM 997 N ASN A 413 24.804 -16.944 8.797 1.00 21.60 N ATOM 998 CA ASN A 413 26.122 -17.524 9.038 1.00 22.16 C ATOM 999 C ASN A 413 27.236 -16.647 8.452 1.00 22.82 C ATOM 1000 O ASN A 413 28.332 -16.576 9.007 1.00 22.52 O ATOM 1001 CB ASN A 413 26.196 -18.948 8.475 1.00 24.78 C ATOM 1002 CG ASN A 413 25.376 -19.938 9.289 1.00 31.83 C ATOM 1003 OD1 ASN A 413 25.082 -19.701 10.458 1.00 30.58 O ATOM 1004 ND2 ASN A 413 25.000 -21.053 8.669 1.00 37.18 N ATOM 1005 HD22 ASN A 413 25.271 -21.214 7.678 1.00 0.00 H ATOM 1006 HD21 ASN A 413 24.435 -21.764 9.175 1.00 0.00 H ATOM 1007 H ASN A 413 24.147 -17.406 8.136 1.00 0.00 H ATOM 1008 N GLN A 414 26.945 -15.964 7.348 1.00 19.80 N ATOM 1009 CA GLN A 414 27.909 -15.041 6.757 1.00 19.65 C ATOM 1010 C GLN A 414 28.027 -13.779 7.612 1.00 18.94 C ATOM 1011 O GLN A 414 29.090 -13.160 7.673 1.00 20.19 O ATOM 1012 CB GLN A 414 27.510 -14.710 5.318 1.00 17.95 C ATOM 1013 CG GLN A 414 27.709 -15.888 4.374 1.00 22.84 C ATOM 1014 CD GLN A 414 27.044 -15.695 3.027 1.00 22.77 C ATOM 1015 OE1 GLN A 414 25.856 -15.387 2.954 1.00 23.37 O ATOM 1016 NE2 GLN A 414 27.807 -15.872 1.957 1.00 21.38 N ATOM 1017 HE22 GLN A 414 28.808 -16.132 2.069 1.00 0.00 H ATOM 1018 HE21 GLN A 414 27.405 -15.750 1.006 1.00 0.00 H ATOM 1019 H GLN A 414 26.016 -16.090 6.899 1.00 0.00 H ATOM 1020 N GLY A 415 26.940 -13.415 8.291 1.00 17.91 N ATOM 1021 CA GLY A 415 26.934 -12.318 9.242 1.00 18.03 C ATOM 1022 C GLY A 415 27.899 -12.503 10.398 1.00 18.14 C ATOM 1023 O GLY A 415 28.412 -11.529 10.956 1.00 20.26 O ATOM 1024 H GLY A 415 26.056 -13.940 8.133 1.00 0.00 H ATOM 1025 N LYS A 416 28.143 -13.754 10.763 1.00 19.13 N ATOM 1026 CA LYS A 416 29.111 -14.072 11.816 1.00 19.41 C ATOM 1027 C LYS A 416 30.566 -13.660 11.499 1.00 19.97 C ATOM 1028 O LYS A 416 31.428 -13.639 12.432 1.00 21.31 O ATOM 1029 CB LYS A 416 29.078 -15.567 12.118 1.00 25.06 C ATOM 1030 CG LYS A 416 27.745 -16.033 12.649 1.00 26.57 C ATOM 1031 CD LYS A 416 27.726 -17.519 12.924 1.00 30.42 C ATOM 1032 CE LYS A 416 26.365 -17.954 13.431 1.00 32.03 C ATOM 1033 NZ LYS A 416 26.188 -19.425 13.353 1.00 36.12 N ATOM 1034 HZ1 LYS A 416 26.280 -19.732 12.364 1.00 0.00 H ATOM 1035 HZ2 LYS A 416 26.915 -19.892 13.931 1.00 0.00 H ATOM 1036 HZ3 LYS A 416 25.244 -19.679 13.709 1.00 0.00 H ATOM 1037 H LYS A 416 27.635 -14.529 10.290 1.00 0.00 H TER 1038 LYS A 416 ATOM 1039 N VAL A 418 31.496 -10.781 10.865 1.00 18.67 N ATOM 1040 CA VAL A 418 31.763 -9.509 11.527 1.00 17.69 C ATOM 1041 C VAL A 418 31.341 -9.590 12.980 1.00 17.74 C ATOM 1042 O VAL A 418 30.223 -9.990 13.281 1.00 17.70 O ATOM 1043 CB VAL A 418 31.032 -8.364 10.821 1.00 15.21 C ATOM 1044 CG1 VAL A 418 31.284 -7.039 11.539 1.00 14.41 C ATOM 1045 CG2 VAL A 418 31.476 -8.295 9.365 1.00 14.45 C ATOM 1046 HN3 VAL A 418 30.479 -10.991 10.918 1.00 0.00 H ATOM 1047 HN2 VAL A 418 32.032 -11.536 11.338 1.00 0.00 H ATOM 1048 HN1 VAL A 418 31.787 -10.720 9.869 1.00 0.00 H ATOM 1049 N GLU A 419 32.246 -9.241 13.887 1.00 19.33 N ATOM 1050 CA GLU A 419 31.934 -9.317 15.307 1.00 22.37 C ATOM 1051 C GLU A 419 30.703 -8.472 15.626 1.00 19.19 C ATOM 1052 O GLU A 419 30.633 -7.315 15.237 1.00 15.77 O ATOM 1053 CB GLU A 419 33.123 -8.855 16.144 1.00 28.61 C ATOM 1054 CG GLU A 419 32.801 -8.665 17.605 1.00 36.14 C ATOM 1055 CD GLU A 419 33.878 -7.888 18.319 1.00 46.43 C ATOM 1056 OE1 GLU A 419 33.529 -7.040 19.161 1.00 51.18 O ATOM 1057 OE2 GLU A 419 35.071 -8.120 18.034 1.00 48.07 O ATOM 1058 H GLU A 419 33.184 -8.911 13.581 1.00 0.00 H ATOM 1059 N GLY A 420 29.726 -9.070 16.305 1.00 18.41 N ATOM 1060 CA GLY A 420 28.525 -8.353 16.719 1.00 18.86 C ATOM 1061 C GLY A 420 27.481 -8.150 15.640 1.00 16.52 C ATOM 1062 O GLY A 420 26.424 -7.559 15.889 1.00 17.40 O ATOM 1063 H GLY A 420 29.822 -10.077 16.547 1.00 0.00 H ATOM 1064 N MET A 421 27.762 -8.648 14.445 1.00 16.92 N ATOM 1065 CA MET A 421 26.864 -8.418 13.322 1.00 17.83 C ATOM 1066 C MET A 421 25.711 -9.421 13.216 1.00 18.30 C ATOM 1067 O MET A 421 24.635 -9.069 12.746 1.00 21.35 O ATOM 1068 CB MET A 421 27.645 -8.433 12.014 1.00 18.71 C ATOM 1069 CG MET A 421 26.734 -8.474 10.823 1.00 23.95 C ATOM 1070 SD MET A 421 26.157 -6.826 10.464 1.00 28.56 S ATOM 1071 CE MET A 421 27.658 -6.253 9.691 1.00 12.20 C ATOM 1072 H MET A 421 28.629 -9.206 14.308 1.00 0.00 H ATOM 1073 N VAL A 422 25.927 -10.666 13.637 1.00 15.83 N ATOM 1074 CA VAL A 422 24.876 -11.667 13.446 1.00 18.16 C ATOM 1075 C VAL A 422 23.593 -11.271 14.200 1.00 18.53 C ATOM 1076 O VAL A 422 22.483 -11.507 13.710 1.00 18.47 O ATOM 1077 CB VAL A 422 25.352 -13.078 13.881 1.00 18.88 C ATOM 1078 CG1 VAL A 422 25.584 -13.122 15.369 1.00 18.66 C ATOM 1079 CG2 VAL A 422 24.353 -14.152 13.461 1.00 21.50 C ATOM 1080 H VAL A 422 26.826 -10.922 14.093 1.00 0.00 H ATOM 1081 N GLU A 423 23.748 -10.636 15.359 1.00 19.61 N ATOM 1082 CA GLU A 423 22.596 -10.164 16.133 1.00 20.88 C ATOM 1083 C GLU A 423 21.744 -9.196 15.322 1.00 17.55 C ATOM 1084 O GLU A 423 20.516 -9.205 15.395 1.00 15.11 O ATOM 1085 CB GLU A 423 23.058 -9.475 17.426 1.00 25.30 C ATOM 1086 CG GLU A 423 23.570 -10.401 18.538 1.00 31.42 C ATOM 1087 CD GLU A 423 24.996 -10.916 18.329 1.00 33.11 C ATOM 1088 OE1 GLU A 423 25.735 -10.370 17.483 1.00 28.61 O ATOM 1089 OE2 GLU A 423 25.382 -11.876 19.032 1.00 35.54 O ATOM 1090 H GLU A 423 24.708 -10.471 15.724 1.00 0.00 H ATOM 1091 N ILE A 424 22.411 -8.354 14.545 1.00 14.96 N ATOM 1092 CA ILE A 424 21.704 -7.361 13.757 1.00 15.79 C ATOM 1093 C ILE A 424 21.102 -8.013 12.507 1.00 14.97 C ATOM 1094 O ILE A 424 19.975 -7.689 12.133 1.00 12.82 O ATOM 1095 CB ILE A 424 22.639 -6.195 13.394 1.00 17.04 C ATOM 1096 CG1 ILE A 424 23.052 -5.466 14.684 1.00 18.95 C ATOM 1097 CG2 ILE A 424 21.961 -5.258 12.396 1.00 16.53 C ATOM 1098 CD1 ILE A 424 24.230 -4.544 14.531 1.00 20.84 C ATOM 1099 H ILE A 424 23.449 -8.405 14.500 1.00 0.00 H ATOM 1100 N PHE A 425 21.823 -8.943 11.882 1.00 13.85 N ATOM 1101 CA PHE A 425 21.244 -9.731 10.786 1.00 15.44 C ATOM 1102 C PHE A 425 19.955 -10.434 11.225 1.00 15.31 C ATOM 1103 O PHE A 425 18.959 -10.423 10.500 1.00 13.91 O ATOM 1104 CB PHE A 425 22.230 -10.788 10.272 1.00 15.93 C ATOM 1105 CG PHE A 425 23.155 -10.310 9.165 1.00 17.41 C ATOM 1106 CD1 PHE A 425 23.558 -8.985 9.077 1.00 19.15 C ATOM 1107 CD2 PHE A 425 23.625 -11.210 8.218 1.00 19.57 C ATOM 1108 CE1 PHE A 425 24.420 -8.570 8.060 1.00 18.65 C ATOM 1109 CE2 PHE A 425 24.485 -10.803 7.204 1.00 21.44 C ATOM 1110 CZ PHE A 425 24.879 -9.477 7.125 1.00 20.05 C ATOM 1111 H PHE A 425 22.807 -9.113 12.173 1.00 0.00 H ATOM 1112 N ASP A 426 19.993 -11.051 12.402 1.00 12.68 N ATOM 1113 CA ASP A 426 18.830 -11.785 12.905 1.00 14.14 C ATOM 1114 C ASP A 426 17.608 -10.881 13.063 1.00 15.05 C ATOM 1115 O ASP A 426 16.485 -11.300 12.798 1.00 15.77 O ATOM 1116 CB ASP A 426 19.159 -12.451 14.245 1.00 15.80 C ATOM 1117 CG ASP A 426 19.971 -13.719 14.079 1.00 22.72 C ATOM 1118 OD1 ASP A 426 19.976 -14.275 12.960 1.00 23.25 O ATOM 1119 OD2 ASP A 426 20.595 -14.163 15.067 1.00 21.85 O ATOM 1120 H ASP A 426 20.861 -11.012 12.974 1.00 0.00 H ATOM 1121 N MET A 427 17.821 -9.642 13.489 1.00 13.16 N ATOM 1122 CA MET A 427 16.692 -8.725 13.617 1.00 16.09 C ATOM 1123 C MET A 427 16.155 -8.304 12.243 1.00 15.60 C ATOM 1124 O MET A 427 14.937 -8.248 12.029 1.00 16.21 O ATOM 1125 CB MET A 427 17.111 -7.493 14.430 1.00 16.05 C ATOM 1126 CG MET A 427 17.331 -7.765 15.911 1.00 19.06 C ATOM 1127 SD MET A 427 17.678 -6.257 16.829 1.00 27.53 S ATOM 1128 CE MET A 427 19.217 -5.788 16.040 1.00 20.77 C ATOM 1129 H MET A 427 18.783 -9.327 13.729 1.00 0.00 H ATOM 1130 N LEU A 428 17.067 -8.039 11.315 1.00 12.98 N ATOM 1131 CA LEU A 428 16.680 -7.662 9.961 1.00 11.94 C ATOM 1132 C LEU A 428 15.935 -8.811 9.282 1.00 14.18 C ATOM 1133 O LEU A 428 14.918 -8.588 8.625 1.00 13.77 O ATOM 1134 CB LEU A 428 17.912 -7.252 9.153 1.00 9.97 C ATOM 1135 CG LEU A 428 18.561 -5.920 9.560 1.00 12.42 C ATOM 1136 CD1 LEU A 428 19.983 -5.852 9.049 1.00 11.82 C ATOM 1137 CD2 LEU A 428 17.756 -4.715 9.079 1.00 9.10 C ATOM 1138 H LEU A 428 18.076 -8.102 11.559 1.00 0.00 H ATOM 1139 N LEU A 429 16.435 -10.031 9.449 1.00 14.29 N ATOM 1140 CA LEU A 429 15.752 -11.204 8.896 1.00 16.84 C ATOM 1141 C LEU A 429 14.362 -11.386 9.496 1.00 18.87 C ATOM 1142 O LEU A 429 13.420 -11.758 8.791 1.00 18.61 O ATOM 1143 CB LEU A 429 16.586 -12.460 9.131 1.00 14.23 C ATOM 1144 CG LEU A 429 17.863 -12.579 8.299 1.00 17.03 C ATOM 1145 CD1 LEU A 429 18.771 -13.634 8.895 1.00 16.25 C ATOM 1146 CD2 LEU A 429 17.535 -12.907 6.852 1.00 16.32 C ATOM 1147 H LEU A 429 17.322 -10.155 9.978 1.00 0.00 H ATOM 1148 N ALA A 430 14.222 -11.143 10.795 1.00 20.65 N ATOM 1149 CA ALA A 430 12.925 -11.277 11.449 1.00 22.51 C ATOM 1150 C ALA A 430 11.953 -10.250 10.888 1.00 20.48 C ATOM 1151 O ALA A 430 10.772 -10.538 10.665 1.00 19.26 O ATOM 1152 CB ALA A 430 13.068 -11.120 12.962 1.00 23.27 C ATOM 1153 H ALA A 430 15.050 -10.853 11.354 1.00 0.00 H ATOM 1154 N THR A 431 12.448 -9.049 10.648 1.00 17.19 N ATOM 1155 CA THR A 431 11.597 -8.003 10.115 1.00 18.80 C ATOM 1156 C THR A 431 11.175 -8.319 8.689 1.00 18.09 C ATOM 1157 O THR A 431 10.029 -8.075 8.312 1.00 15.25 O ATOM 1158 CB THR A 431 12.289 -6.657 10.148 1.00 16.17 C ATOM 1159 OG1 THR A 431 12.815 -6.441 11.460 1.00 18.59 O ATOM 1160 CG2 THR A 431 11.294 -5.564 9.803 1.00 16.21 C ATOM 1161 HG1 THR A 431 13.463 -7.157 11.676 1.00 0.00 H ATOM 1162 H THR A 431 13.451 -8.853 10.842 1.00 0.00 H ATOM 1163 N SER A 432 12.101 -8.861 7.902 1.00 16.00 N ATOM 1164 CA SER A 432 11.762 -9.270 6.544 1.00 19.15 C ATOM 1165 C SER A 432 10.678 -10.343 6.556 1.00 20.55 C ATOM 1166 O SER A 432 9.755 -10.298 5.746 1.00 22.04 O ATOM 1167 CB SER A 432 12.999 -9.781 5.804 1.00 24.18 C ATOM 1168 OG SER A 432 12.754 -9.823 4.409 1.00 26.24 O ATOM 1169 HG SER A 432 12.536 -8.913 4.086 1.00 0.00 H ATOM 1170 H SER A 432 13.070 -8.993 8.257 1.00 0.00 H ATOM 1171 N SER A 433 10.773 -11.308 7.475 1.00 22.86 N ATOM 1172 CA SER A 433 9.735 -12.329 7.648 1.00 24.97 C ATOM 1173 C SER A 433 8.382 -11.740 8.030 1.00 22.61 C ATOM 1174 O SER A 433 7.339 -12.204 7.567 1.00 20.62 O ATOM 1175 CB SER A 433 10.137 -13.338 8.718 1.00 30.79 C ATOM 1176 OG SER A 433 11.243 -14.113 8.305 1.00 37.92 O ATOM 1177 HG SER A 433 12.014 -13.518 8.128 1.00 0.00 H ATOM 1178 H SER A 433 11.612 -11.336 8.089 1.00 0.00 H ATOM 1179 N ARG A 434 8.413 -10.737 8.898 1.00 17.43 N ATOM 1180 CA ARG A 434 7.195 -10.026 9.283 1.00 19.09 C ATOM 1181 C ARG A 434 6.541 -9.368 8.062 1.00 19.25 C ATOM 1182 O ARG A 434 5.327 -9.459 7.896 1.00 20.15 O ATOM 1183 CB ARG A 434 7.503 -8.978 10.358 1.00 17.89 C ATOM 1184 CG ARG A 434 6.297 -8.138 10.789 1.00 20.35 C ATOM 1185 CD ARG A 434 5.366 -8.890 11.735 1.00 29.14 C ATOM 1186 NE ARG A 434 4.205 -8.073 12.091 1.00 35.49 N ATOM 1187 CZ ARG A 434 2.949 -8.501 12.079 1.00 39.10 C ATOM 1188 NH1 ARG A 434 2.668 -9.750 11.732 1.00 41.02 N ATOM 1189 NH2 ARG A 434 1.968 -7.677 12.415 1.00 38.78 N ATOM 1190 HE ARG A 434 4.377 -7.087 12.373 1.00 0.00 H ATOM 1191 HH12 ARG A 434 1.681 -10.078 11.725 1.00 0.00 H ATOM 1192 HH11 ARG A 434 3.434 -10.401 11.467 1.00 0.00 H ATOM 1193 HH22 ARG A 434 0.983 -8.010 12.406 1.00 0.00 H ATOM 1194 HH21 ARG A 434 2.183 -6.697 12.688 1.00 0.00 H ATOM 1195 H ARG A 434 9.323 -10.451 9.313 1.00 0.00 H ATOM 1196 N PHE A 435 7.349 -8.701 7.231 1.00 15.92 N ATOM 1197 CA PHE A 435 6.875 -8.101 5.973 1.00 18.01 C ATOM 1198 C PHE A 435 6.191 -9.128 5.096 1.00 18.83 C ATOM 1199 O PHE A 435 5.132 -8.885 4.514 1.00 19.06 O ATOM 1200 CB PHE A 435 8.037 -7.510 5.158 1.00 22.96 C ATOM 1201 CG PHE A 435 8.471 -6.134 5.577 1.00 27.85 C ATOM 1202 CD1 PHE A 435 8.350 -5.701 6.884 1.00 29.82 C ATOM 1203 CD2 PHE A 435 9.031 -5.277 4.645 1.00 28.73 C ATOM 1204 CE1 PHE A 435 8.777 -4.432 7.244 1.00 27.82 C ATOM 1205 CE2 PHE A 435 9.457 -4.017 4.999 1.00 27.70 C ATOM 1206 CZ PHE A 435 9.331 -3.592 6.296 1.00 25.65 C ATOM 1207 H PHE A 435 8.353 -8.602 7.484 1.00 0.00 H ATOM 1208 N ARG A 436 6.857 -10.269 4.965 1.00 19.15 N ATOM 1209 CA ARG A 436 6.402 -11.340 4.095 1.00 25.34 C ATOM 1210 C ARG A 436 5.063 -11.878 4.568 1.00 26.74 C ATOM 1211 O ARG A 436 4.124 -12.041 3.788 1.00 29.43 O ATOM 1212 CB ARG A 436 7.451 -12.455 4.061 1.00 28.91 C ATOM 1213 CG ARG A 436 7.297 -13.446 2.916 1.00 32.67 C ATOM 1214 CD ARG A 436 8.382 -14.508 2.985 1.00 35.92 C ATOM 1215 NE ARG A 436 9.693 -13.882 2.976 1.00 40.63 N ATOM 1216 CZ ARG A 436 10.596 -13.996 3.945 1.00 40.44 C ATOM 1217 NH1 ARG A 436 10.339 -14.744 5.011 1.00 41.96 N ATOM 1218 NH2 ARG A 436 11.754 -13.371 3.839 1.00 33.71 N ATOM 1219 HE ARG A 436 9.944 -13.302 2.150 1.00 0.00 H ATOM 1220 HH12 ARG A 436 11.047 -14.832 5.768 1.00 0.00 H ATOM 1221 HH11 ARG A 436 9.430 -15.242 5.090 1.00 0.00 H ATOM 1222 HH22 ARG A 436 12.463 -13.458 4.595 1.00 0.00 H ATOM 1223 HH21 ARG A 436 11.957 -12.792 2.999 1.00 0.00 H ATOM 1224 H ARG A 436 7.736 -10.401 5.505 1.00 0.00 H ATOM 1225 N MET A 437 4.949 -12.134 5.862 1.00 22.19 N ATOM 1226 CA MET A 437 3.737 -12.725 6.397 1.00 25.39 C ATOM 1227 C MET A 437 2.556 -11.736 6.386 1.00 23.38 C ATOM 1228 O MET A 437 1.393 -12.153 6.303 1.00 24.18 O ATOM 1229 CB MET A 437 4.006 -13.257 7.804 1.00 28.07 C ATOM 1230 CG MET A 437 3.668 -12.292 8.908 1.00 31.49 C ATOM 1231 SD MET A 437 1.989 -12.522 9.518 1.00134.13 S ATOM 1232 CE MET A 437 2.107 -14.171 10.202 1.00 63.71 C ATOM 1233 H MET A 437 5.737 -11.909 6.502 1.00 0.00 H ATOM 1234 N MET A 438 2.865 -10.441 6.451 1.00 17.99 N ATOM 1235 CA MET A 438 1.878 -9.376 6.255 1.00 20.58 C ATOM 1236 C MET A 438 1.540 -9.126 4.789 1.00 20.22 C ATOM 1237 O MET A 438 0.617 -8.380 4.478 1.00 19.48 O ATOM 1238 CB MET A 438 2.395 -8.065 6.849 1.00 19.33 C ATOM 1239 CG MET A 438 2.337 -7.998 8.345 1.00 21.68 C ATOM 1240 SD MET A 438 2.640 -6.312 8.880 1.00 26.64 S ATOM 1241 CE MET A 438 1.101 -5.514 8.424 1.00 20.29 C ATOM 1242 H MET A 438 3.851 -10.175 6.650 1.00 0.00 H ATOM 1243 N ASN A 439 2.290 -9.747 3.887 1.00 18.93 N ATOM 1244 CA ASN A 439 2.181 -9.433 2.469 1.00 21.39 C ATOM 1245 C ASN A 439 2.261 -7.912 2.197 1.00 21.47 C ATOM 1246 O ASN A 439 1.446 -7.356 1.455 1.00 18.97 O ATOM 1247 CB ASN A 439 0.881 -10.014 1.908 1.00 25.92 C ATOM 1248 CG ASN A 439 0.923 -10.176 0.410 1.00 35.25 C ATOM 1249 OD1 ASN A 439 1.993 -10.185 -0.194 1.00 40.64 O ATOM 1250 ND2 ASN A 439 -0.247 -10.303 -0.204 1.00 39.29 N ATOM 1251 HD22 ASN A 439 -1.128 -10.290 0.348 1.00 0.00 H ATOM 1252 HD21 ASN A 439 -0.282 -10.416 -1.237 1.00 0.00 H ATOM 1253 H ASN A 439 2.968 -10.471 4.199 1.00 0.00 H ATOM 1254 N LEU A 440 3.242 -7.260 2.814 1.00 20.35 N ATOM 1255 CA LEU A 440 3.492 -5.834 2.572 1.00 18.76 C ATOM 1256 C LEU A 440 3.579 -5.538 1.083 1.00 20.64 C ATOM 1257 O LEU A 440 4.334 -6.191 0.365 1.00 20.56 O ATOM 1258 CB LEU A 440 4.790 -5.388 3.251 1.00 17.83 C ATOM 1259 CG LEU A 440 5.140 -3.907 3.098 1.00 17.77 C ATOM 1260 CD1 LEU A 440 4.177 -3.106 3.941 1.00 21.97 C ATOM 1261 CD2 LEU A 440 6.574 -3.617 3.501 1.00 19.98 C ATOM 1262 H LEU A 440 3.848 -7.774 3.485 1.00 0.00 H ATOM 1263 N GLN A 441 2.806 -4.557 0.620 1.00 18.37 N ATOM 1264 CA GLN A 441 2.799 -4.153 -0.784 1.00 19.15 C ATOM 1265 C GLN A 441 3.775 -3.002 -1.039 1.00 17.29 C ATOM 1266 O GLN A 441 4.092 -2.242 -0.131 1.00 18.27 O ATOM 1267 CB GLN A 441 1.387 -3.734 -1.204 1.00 20.33 C ATOM 1268 CG GLN A 441 0.347 -4.783 -0.913 1.00 23.94 C ATOM 1269 CD GLN A 441 0.534 -5.980 -1.797 1.00 28.83 C ATOM 1270 OE1 GLN A 441 0.316 -5.904 -3.003 1.00 33.94 O ATOM 1271 NE2 GLN A 441 0.981 -7.087 -1.215 1.00 29.74 N ATOM 1272 HE22 GLN A 441 1.151 -7.103 -0.189 1.00 0.00 H ATOM 1273 HE21 GLN A 441 1.161 -7.938 -1.785 1.00 0.00 H ATOM 1274 H GLN A 441 2.182 -4.058 1.285 1.00 0.00 H ATOM 1275 N GLY A 442 4.235 -2.890 -2.283 1.00 20.19 N ATOM 1276 CA GLY A 442 5.163 -1.831 -2.669 1.00 18.94 C ATOM 1277 C GLY A 442 4.656 -0.441 -2.340 1.00 18.90 C ATOM 1278 O GLY A 442 5.396 0.396 -1.832 1.00 15.84 O ATOM 1279 H GLY A 442 3.925 -3.576 -3.000 1.00 0.00 H ATOM 1280 N GLU A 443 3.381 -0.191 -2.611 1.00 17.39 N ATOM 1281 CA GLU A 443 2.800 1.105 -2.275 1.00 17.11 C ATOM 1282 C GLU A 443 2.803 1.413 -0.771 1.00 16.81 C ATOM 1283 O GLU A 443 2.961 2.568 -0.373 1.00 16.06 O ATOM 1284 CB GLU A 443 1.376 1.177 -2.824 1.00 19.12 C ATOM 1285 CG GLU A 443 1.305 1.048 -4.341 1.00 23.73 C ATOM 1286 CD GLU A 443 1.301 -0.393 -4.822 1.00 31.47 C ATOM 1287 OE1 GLU A 443 1.436 -1.318 -3.995 1.00 29.02 O ATOM 1288 OE2 GLU A 443 1.156 -0.595 -6.044 1.00 37.43 O ATOM 1289 H GLU A 443 2.794 -0.921 -3.064 1.00 0.00 H ATOM 1290 N GLU A 444 2.646 0.389 0.067 1.00 14.02 N ATOM 1291 CA GLU A 444 2.712 0.562 1.521 1.00 13.24 C ATOM 1292 C GLU A 444 4.144 0.821 1.963 1.00 14.11 C ATOM 1293 O GLU A 444 4.413 1.668 2.815 1.00 14.19 O ATOM 1294 CB GLU A 444 2.165 -0.674 2.242 1.00 15.67 C ATOM 1295 CG GLU A 444 0.678 -0.921 2.013 1.00 18.19 C ATOM 1296 CD GLU A 444 0.181 -2.239 2.585 1.00 20.39 C ATOM 1297 OE1 GLU A 444 0.903 -3.251 2.470 1.00 18.58 O ATOM 1298 OE2 GLU A 444 -0.934 -2.267 3.148 1.00 20.90 O ATOM 1299 H GLU A 444 2.472 -0.560 -0.322 1.00 0.00 H ATOM 1300 N PHE A 445 5.063 0.081 1.366 1.00 14.25 N ATOM 1301 CA PHE A 445 6.474 0.263 1.657 1.00 14.70 C ATOM 1302 C PHE A 445 6.924 1.705 1.433 1.00 13.26 C ATOM 1303 O PHE A 445 7.534 2.303 2.319 1.00 11.96 O ATOM 1304 CB PHE A 445 7.306 -0.696 0.807 1.00 11.49 C ATOM 1305 CG PHE A 445 8.774 -0.324 0.725 1.00 14.11 C ATOM 1306 CD1 PHE A 445 9.607 -0.505 1.816 1.00 12.12 C ATOM 1307 CD2 PHE A 445 9.300 0.181 -0.449 1.00 12.43 C ATOM 1308 CE1 PHE A 445 10.963 -0.175 1.728 1.00 12.42 C ATOM 1309 CE2 PHE A 445 10.649 0.517 -0.543 1.00 15.85 C ATOM 1310 CZ PHE A 445 11.481 0.337 0.548 1.00 12.73 C ATOM 1311 H PHE A 445 4.771 -0.642 0.678 1.00 0.00 H ATOM 1312 N VAL A 446 6.625 2.267 0.268 1.00 11.30 N ATOM 1313 CA VAL A 446 7.111 3.615 -0.015 1.00 14.94 C ATOM 1314 C VAL A 446 6.462 4.623 0.954 1.00 14.95 C ATOM 1315 O VAL A 446 7.107 5.595 1.338 1.00 15.14 O ATOM 1316 CB VAL A 446 6.878 4.055 -1.498 1.00 14.72 C ATOM 1317 CG1 VAL A 446 7.728 3.207 -2.493 1.00 15.82 C ATOM 1318 CG2 VAL A 446 5.383 4.102 -1.854 1.00 14.30 C ATOM 1319 H VAL A 446 6.053 1.755 -0.433 1.00 0.00 H ATOM 1320 N CYS A 447 5.217 4.391 1.367 1.00 12.95 N ATOM 1321 CA CYS A 447 4.615 5.250 2.392 1.00 12.73 C ATOM 1322 C CYS A 447 5.385 5.175 3.706 1.00 11.32 C ATOM 1323 O CYS A 447 5.651 6.204 4.323 1.00 9.65 O ATOM 1324 CB CYS A 447 3.151 4.881 2.639 1.00 13.07 C ATOM 1325 SG CYS A 447 2.042 5.386 1.311 1.00 17.01 S ATOM 1326 H CYS A 447 4.673 3.602 0.963 1.00 0.00 H ATOM 1327 N LEU A 448 5.737 3.960 4.115 1.00 10.79 N ATOM 1328 CA LEU A 448 6.429 3.772 5.394 1.00 8.99 C ATOM 1329 C LEU A 448 7.799 4.416 5.382 1.00 10.09 C ATOM 1330 O LEU A 448 8.211 5.042 6.362 1.00 10.48 O ATOM 1331 CB LEU A 448 6.575 2.280 5.698 1.00 10.76 C ATOM 1332 CG LEU A 448 5.288 1.551 6.078 1.00 17.35 C ATOM 1333 CD1 LEU A 448 5.613 0.090 6.241 1.00 15.72 C ATOM 1334 CD2 LEU A 448 4.657 2.130 7.343 1.00 17.60 C ATOM 1335 H LEU A 448 5.519 3.134 3.522 1.00 0.00 H ATOM 1336 N LYS A 449 8.504 4.270 4.268 1.00 11.91 N ATOM 1337 CA LYS A 449 9.857 4.801 4.203 1.00 10.24 C ATOM 1338 C LYS A 449 9.844 6.334 4.263 1.00 11.28 C ATOM 1339 O LYS A 449 10.731 6.942 4.859 1.00 11.40 O ATOM 1340 CB LYS A 449 10.557 4.299 2.927 1.00 13.08 C ATOM 1341 CG LYS A 449 12.009 4.761 2.803 1.00 12.21 C ATOM 1342 CD LYS A 449 12.765 4.124 1.635 1.00 11.27 C ATOM 1343 CE LYS A 449 12.027 4.227 0.318 1.00 14.24 C ATOM 1344 NZ LYS A 449 13.002 3.991 -0.781 1.00 13.09 N ATOM 1345 HZ1 LYS A 449 13.754 4.708 -0.735 1.00 0.00 H ATOM 1346 HZ2 LYS A 449 13.417 3.043 -0.677 1.00 0.00 H ATOM 1347 HZ3 LYS A 449 12.513 4.058 -1.697 1.00 0.00 H ATOM 1348 H LYS A 449 8.093 3.780 3.448 1.00 0.00 H ATOM 1349 N SER A 450 8.828 6.947 3.661 1.00 10.08 N ATOM 1350 CA SER A 450 8.688 8.398 3.718 1.00 11.72 C ATOM 1351 C SER A 450 8.263 8.846 5.111 1.00 11.77 C ATOM 1352 O SER A 450 8.659 9.914 5.567 1.00 12.02 O ATOM 1353 CB SER A 450 7.684 8.892 2.677 1.00 14.69 C ATOM 1354 OG SER A 450 8.286 8.980 1.396 1.00 14.51 O ATOM 1355 HG SER A 450 8.613 8.086 1.124 1.00 0.00 H ATOM 1356 H SER A 450 8.124 6.384 3.143 1.00 0.00 H ATOM 1357 N ILE A 451 7.473 8.024 5.786 1.00 10.15 N ATOM 1358 CA ILE A 451 7.070 8.339 7.156 1.00 11.73 C ATOM 1359 C ILE A 451 8.317 8.356 8.051 1.00 10.52 C ATOM 1360 O ILE A 451 8.483 9.268 8.850 1.00 9.95 O ATOM 1361 CB ILE A 451 6.027 7.346 7.736 1.00 12.23 C ATOM 1362 CG1 ILE A 451 4.647 7.563 7.081 1.00 13.35 C ATOM 1363 CG2 ILE A 451 5.931 7.510 9.254 1.00 10.33 C ATOM 1364 CD1 ILE A 451 3.601 6.478 7.397 1.00 12.76 C ATOM 1365 H ILE A 451 7.137 7.148 5.338 1.00 0.00 H ATOM 1366 N ILE A 452 9.197 7.366 7.888 1.00 8.57 N ATOM 1367 CA ILE A 452 10.437 7.339 8.674 1.00 8.39 C ATOM 1368 C ILE A 452 11.224 8.618 8.464 1.00 12.62 C ATOM 1369 O ILE A 452 11.679 9.242 9.426 1.00 11.46 O ATOM 1370 CB ILE A 452 11.317 6.122 8.294 1.00 10.11 C ATOM 1371 CG1 ILE A 452 10.660 4.824 8.759 1.00 13.15 C ATOM 1372 CG2 ILE A 452 12.754 6.270 8.850 1.00 10.22 C ATOM 1373 CD1 ILE A 452 11.380 3.580 8.271 1.00 11.89 C ATOM 1374 H ILE A 452 9.004 6.610 7.201 1.00 0.00 H ATOM 1375 N LEU A 453 11.374 9.023 7.203 1.00 9.52 N ATOM 1376 CA LEU A 453 12.124 10.239 6.908 1.00 10.95 C ATOM 1377 C LEU A 453 11.577 11.444 7.642 1.00 11.45 C ATOM 1378 O LEU A 453 12.336 12.214 8.216 1.00 12.41 O ATOM 1379 CB LEU A 453 12.096 10.540 5.406 1.00 11.17 C ATOM 1380 CG LEU A 453 12.792 11.829 4.978 1.00 12.23 C ATOM 1381 CD1 LEU A 453 14.297 11.705 5.194 1.00 12.19 C ATOM 1382 CD2 LEU A 453 12.446 12.128 3.521 1.00 13.13 C ATOM 1383 H LEU A 453 10.955 8.471 6.428 1.00 0.00 H ATOM 1384 N LEU A 454 10.259 11.611 7.615 1.00 11.12 N ATOM 1385 CA LEU A 454 9.650 12.801 8.184 1.00 12.48 C ATOM 1386 C LEU A 454 9.459 12.712 9.713 1.00 13.12 C ATOM 1387 O LEU A 454 9.423 13.743 10.384 1.00 13.22 O ATOM 1388 CB LEU A 454 8.306 13.070 7.496 1.00 13.61 C ATOM 1389 CG LEU A 454 8.401 13.426 6.003 1.00 15.81 C ATOM 1390 CD1 LEU A 454 7.042 13.545 5.354 1.00 17.88 C ATOM 1391 CD2 LEU A 454 9.178 14.712 5.816 1.00 17.96 C ATOM 1392 H LEU A 454 9.657 10.882 7.182 1.00 0.00 H ATOM 1393 N ASN A 455 9.367 11.496 10.241 1.00 11.78 N ATOM 1394 CA ASN A 455 9.052 11.310 11.667 1.00 15.20 C ATOM 1395 C ASN A 455 10.261 11.196 12.598 1.00 16.59 C ATOM 1396 O ASN A 455 10.230 11.719 13.709 1.00 17.92 O ATOM 1397 CB ASN A 455 8.168 10.055 11.857 1.00 12.95 C ATOM 1398 CG ASN A 455 7.806 9.817 13.322 1.00 14.16 C ATOM 1399 OD1 ASN A 455 7.157 10.658 13.947 1.00 13.28 O ATOM 1400 ND2 ASN A 455 8.224 8.683 13.870 1.00 12.15 N ATOM 1401 HD22 ASN A 455 8.769 8.002 13.304 1.00 0.00 H ATOM 1402 HD21 ASN A 455 8.006 8.475 14.866 1.00 0.00 H ATOM 1403 H ASN A 455 9.520 10.663 9.638 1.00 0.00 H ATOM 1404 N SER A 456 11.322 10.526 12.163 1.00 17.38 N ATOM 1405 CA SER A 456 12.276 10.040 13.153 1.00 18.08 C ATOM 1406 C SER A 456 12.962 11.184 13.889 1.00 19.26 C ATOM 1407 O SER A 456 13.228 11.083 15.088 1.00 20.71 O ATOM 1408 CB SER A 456 13.272 9.095 12.492 1.00 19.01 C ATOM 1409 OG SER A 456 12.640 7.831 12.332 1.00 16.41 O ATOM 1410 HG SER A 456 13.271 7.200 11.903 1.00 0.00 H ATOM 1411 H SER A 456 11.468 10.353 11.148 1.00 0.00 H ATOM 1412 N GLY A 457 13.182 12.301 13.209 1.00 14.91 N ATOM 1413 CA GLY A 457 13.881 13.401 13.832 1.00 14.82 C ATOM 1414 C GLY A 457 12.966 14.556 14.155 1.00 19.70 C ATOM 1415 O GLY A 457 13.433 15.606 14.586 1.00 23.05 O ATOM 1416 H GLY A 457 12.851 12.385 12.227 1.00 0.00 H ATOM 1417 N VAL A 458 11.658 14.364 13.978 1.00 21.71 N ATOM 1418 CA VAL A 458 10.719 15.487 14.008 1.00 25.28 C ATOM 1419 C VAL A 458 10.504 16.140 15.373 1.00 31.23 C ATOM 1420 O VAL A 458 10.035 17.268 15.421 1.00 30.89 O ATOM 1421 CB VAL A 458 9.317 15.094 13.465 1.00 25.35 C ATOM 1422 CG1 VAL A 458 8.488 14.378 14.527 1.00 23.78 C ATOM 1423 CG2 VAL A 458 8.589 16.346 13.013 1.00 28.45 C ATOM 1424 H VAL A 458 11.299 13.401 13.816 1.00 0.00 H ATOM 1425 N TYR A 459 10.822 15.466 16.476 1.00 32.49 N ATOM 1426 CA TYR A 459 10.600 16.096 17.789 1.00 39.79 C ATOM 1427 C TYR A 459 11.892 16.571 18.396 1.00 42.66 C ATOM 1428 O TYR A 459 11.912 17.156 19.483 1.00 47.83 O ATOM 1429 CB TYR A 459 9.876 15.141 18.729 1.00 40.83 C ATOM 1430 CG TYR A 459 8.520 14.837 18.178 1.00 42.71 C ATOM 1431 CD1 TYR A 459 7.749 15.851 17.629 1.00 45.95 C ATOM 1432 CD2 TYR A 459 8.037 13.542 18.131 1.00 40.30 C ATOM 1433 CE1 TYR A 459 6.514 15.593 17.085 1.00 46.55 C ATOM 1434 CE2 TYR A 459 6.799 13.270 17.586 1.00 40.51 C ATOM 1435 CZ TYR A 459 6.042 14.299 17.064 1.00 44.98 C ATOM 1436 OH TYR A 459 4.807 14.033 16.517 1.00 47.59 O ATOM 1437 HH TYR A 459 4.911 13.403 15.761 1.00 0.00 H ATOM 1438 H TYR A 459 11.222 14.508 16.412 1.00 0.00 H ATOM 1439 N THR A 460 12.974 16.326 17.678 1.00 41.83 N ATOM 1440 CA THR A 460 14.231 16.971 17.980 1.00 43.46 C ATOM 1441 C THR A 460 14.522 17.981 16.873 1.00 46.24 C ATOM 1442 O THR A 460 15.442 18.790 16.977 1.00 49.92 O ATOM 1443 CB THR A 460 15.368 15.945 18.113 1.00 41.04 C ATOM 1444 OG1 THR A 460 16.622 16.628 18.228 1.00 46.64 O ATOM 1445 CG2 THR A 460 15.400 15.013 16.910 1.00 34.90 C ATOM 1446 HG1 THR A 460 16.770 17.181 17.420 1.00 0.00 H ATOM 1447 H THR A 460 12.920 15.658 16.883 1.00 0.00 H TER 1448 THR A 460 ATOM 1449 N LYS A 472 6.869 22.810 11.447 1.00 57.00 N ATOM 1450 CA LYS A 472 6.778 21.518 12.116 1.00 54.96 C ATOM 1451 C LYS A 472 5.355 21.019 12.007 1.00 52.86 C ATOM 1452 O LYS A 472 5.098 19.826 11.846 1.00 52.03 O ATOM 1453 CB LYS A 472 7.198 21.636 13.578 1.00 56.39 C ATOM 1454 CG LYS A 472 7.468 20.322 14.284 1.00 54.90 C ATOM 1455 CD LYS A 472 7.860 20.609 15.723 1.00 56.58 C ATOM 1456 CE LYS A 472 9.005 19.735 16.190 1.00 56.19 C ATOM 1457 NZ LYS A 472 9.618 20.238 17.450 1.00 58.00 N ATOM 1458 HZ1 LYS A 472 9.986 21.199 17.296 1.00 0.00 H ATOM 1459 HZ2 LYS A 472 8.898 20.257 18.201 1.00 0.00 H ATOM 1460 HZ3 LYS A 472 10.397 19.608 17.731 1.00 0.00 H ATOM 1461 HN3 LYS A 472 6.221 23.482 11.905 1.00 0.00 H ATOM 1462 HN2 LYS A 472 6.607 22.700 10.447 1.00 0.00 H ATOM 1463 HN1 LYS A 472 7.844 23.166 11.514 1.00 0.00 H ATOM 1464 N ASP A 473 4.427 21.958 12.104 1.00 50.81 N ATOM 1465 CA ASP A 473 3.039 21.677 11.823 1.00 50.58 C ATOM 1466 C ASP A 473 2.901 21.246 10.371 1.00 47.00 C ATOM 1467 O ASP A 473 2.029 20.458 10.018 1.00 45.63 O ATOM 1468 CB ASP A 473 2.183 22.903 12.102 1.00 56.01 C ATOM 1469 CG ASP A 473 0.718 22.577 12.157 1.00 59.96 C ATOM 1470 OD1 ASP A 473 0.089 22.485 11.084 1.00 61.54 O ATOM 1471 OD2 ASP A 473 0.200 22.403 13.279 1.00 61.53 O ATOM 1472 H ASP A 473 4.704 22.919 12.389 1.00 0.00 H ATOM 1473 N HIS A 474 3.775 21.773 9.527 1.00 45.18 N ATOM 1474 CA HIS A 474 3.775 21.398 8.128 1.00 44.17 C ATOM 1475 C HIS A 474 4.170 19.930 7.965 1.00 37.45 C ATOM 1476 O HIS A 474 3.565 19.193 7.179 1.00 34.60 O ATOM 1477 CB HIS A 474 4.715 22.317 7.361 1.00 46.62 C ATOM 1478 CG HIS A 474 5.051 21.838 5.989 1.00 49.37 C ATOM 1479 ND1 HIS A 474 4.135 21.821 4.958 1.00 50.45 N ATOM 1480 CD2 HIS A 474 6.209 21.361 5.474 1.00 51.75 C ATOM 1481 CE1 HIS A 474 4.716 21.351 3.868 1.00 51.17 C ATOM 1482 NE2 HIS A 474 5.973 21.065 4.155 1.00 52.69 N ATOM 1483 H HIS A 474 4.470 22.465 9.873 1.00 0.00 H ATOM 1484 N ILE A 475 5.177 19.506 8.723 1.00 33.73 N ATOM 1485 CA ILE A 475 5.605 18.118 8.661 1.00 29.87 C ATOM 1486 C ILE A 475 4.450 17.209 9.043 1.00 26.96 C ATOM 1487 O ILE A 475 4.228 16.196 8.396 1.00 24.29 O ATOM 1488 CB ILE A 475 6.813 17.834 9.575 1.00 32.32 C ATOM 1489 CG1 ILE A 475 8.065 18.482 8.991 1.00 35.34 C ATOM 1490 CG2 ILE A 475 7.032 16.335 9.721 1.00 30.34 C ATOM 1491 CD1 ILE A 475 9.324 18.176 9.762 1.00 35.55 C ATOM 1492 H ILE A 475 5.660 20.169 9.362 1.00 0.00 H ATOM 1493 N HIS A 476 3.691 17.596 10.064 1.00 27.59 N ATOM 1494 CA HIS A 476 2.609 16.748 10.564 1.00 28.99 C ATOM 1495 C HIS A 476 1.422 16.684 9.606 1.00 27.04 C ATOM 1496 O HIS A 476 0.733 15.664 9.525 1.00 23.52 O ATOM 1497 CB HIS A 476 2.166 17.228 11.945 1.00 31.14 C ATOM 1498 CG HIS A 476 3.139 16.893 13.032 1.00 37.16 C ATOM 1499 ND1 HIS A 476 3.743 17.847 13.820 1.00 43.47 N ATOM 1500 CD2 HIS A 476 3.626 15.700 13.447 1.00 36.83 C ATOM 1501 CE1 HIS A 476 4.555 17.260 14.678 1.00 42.28 C ATOM 1502 NE2 HIS A 476 4.502 15.955 14.474 1.00 40.33 N ATOM 1503 H HIS A 476 3.870 18.516 10.514 1.00 0.00 H ATOM 1504 N ARG A 477 1.188 17.765 8.874 1.00 24.02 N ATOM 1505 CA ARG A 477 0.189 17.736 7.816 1.00 27.58 C ATOM 1506 C ARG A 477 0.568 16.728 6.743 1.00 23.95 C ATOM 1507 O ARG A 477 -0.285 15.977 6.279 1.00 22.14 O ATOM 1508 CB ARG A 477 0.014 19.116 7.195 1.00 33.45 C ATOM 1509 CG ARG A 477 -0.667 20.078 8.131 1.00 42.62 C ATOM 1510 CD ARG A 477 -1.409 21.145 7.371 1.00 51.86 C ATOM 1511 NE ARG A 477 -0.465 22.081 6.786 1.00 59.13 N ATOM 1512 CZ ARG A 477 0.229 22.961 7.490 1.00 63.62 C ATOM 1513 NH1 ARG A 477 0.071 23.015 8.803 1.00 65.48 N ATOM 1514 NH2 ARG A 477 1.077 23.780 6.886 1.00 64.33 N ATOM 1515 HE ARG A 477 -0.327 22.058 5.756 1.00 0.00 H ATOM 1516 HH12 ARG A 477 0.612 23.703 9.364 1.00 0.00 H ATOM 1517 HH11 ARG A 477 -0.594 22.369 9.274 1.00 0.00 H ATOM 1518 HH22 ARG A 477 1.620 24.470 7.443 1.00 0.00 H ATOM 1519 HH21 ARG A 477 1.200 23.733 5.854 1.00 0.00 H ATOM 1520 H ARG A 477 1.722 18.639 9.057 1.00 0.00 H ATOM 1521 N VAL A 478 1.841 16.716 6.350 1.00 22.19 N ATOM 1522 CA VAL A 478 2.292 15.746 5.361 1.00 21.73 C ATOM 1523 C VAL A 478 2.157 14.330 5.918 1.00 18.49 C ATOM 1524 O VAL A 478 1.632 13.448 5.247 1.00 19.59 O ATOM 1525 CB VAL A 478 3.752 15.986 4.926 1.00 23.50 C ATOM 1526 CG1 VAL A 478 4.239 14.820 4.065 1.00 21.43 C ATOM 1527 CG2 VAL A 478 3.890 17.320 4.180 1.00 28.63 C ATOM 1528 H VAL A 478 2.514 17.400 6.750 1.00 0.00 H ATOM 1529 N LEU A 479 2.606 14.117 7.153 1.00 15.20 N ATOM 1530 CA LEU A 479 2.459 12.811 7.774 1.00 17.53 C ATOM 1531 C LEU A 479 0.980 12.375 7.808 1.00 19.25 C ATOM 1532 O LEU A 479 0.668 11.213 7.558 1.00 16.44 O ATOM 1533 CB LEU A 479 3.061 12.830 9.183 1.00 15.84 C ATOM 1534 CG LEU A 479 4.588 12.767 9.265 1.00 15.54 C ATOM 1535 CD1 LEU A 479 5.077 13.087 10.666 1.00 13.35 C ATOM 1536 CD2 LEU A 479 5.048 11.389 8.835 1.00 15.18 C ATOM 1537 H LEU A 479 3.065 14.890 7.677 1.00 0.00 H ATOM 1538 N ASP A 480 0.077 13.312 8.080 1.00 16.86 N ATOM 1539 CA ASP A 480 -1.348 12.978 8.088 1.00 17.20 C ATOM 1540 C ASP A 480 -1.795 12.554 6.684 1.00 18.27 C ATOM 1541 O ASP A 480 -2.622 11.657 6.535 1.00 20.42 O ATOM 1542 CB ASP A 480 -2.202 14.159 8.571 1.00 19.49 C ATOM 1543 CG ASP A 480 -2.147 14.363 10.086 1.00 22.52 C ATOM 1544 OD1 ASP A 480 -1.741 13.443 10.826 1.00 22.82 O ATOM 1545 OD2 ASP A 480 -2.546 15.460 10.529 1.00 21.23 O ATOM 1546 H ASP A 480 0.384 14.284 8.287 1.00 0.00 H ATOM 1547 N LYS A 481 -1.239 13.197 5.663 1.00 17.08 N ATOM 1548 CA LYS A 481 -1.610 12.873 4.289 1.00 21.46 C ATOM 1549 C LYS A 481 -1.125 11.474 3.929 1.00 19.84 C ATOM 1550 O LYS A 481 -1.800 10.728 3.209 1.00 19.59 O ATOM 1551 CB LYS A 481 -1.037 13.916 3.325 1.00 28.32 C ATOM 1552 CG LYS A 481 -1.292 13.616 1.860 1.00 34.16 C ATOM 1553 CD LYS A 481 -2.777 13.653 1.533 1.00 37.56 C ATOM 1554 CE LYS A 481 -3.317 15.076 1.567 1.00 40.22 C ATOM 1555 NZ LYS A 481 -4.755 15.155 1.185 1.00 40.91 N ATOM 1556 HZ1 LYS A 481 -4.876 14.791 0.218 1.00 0.00 H ATOM 1557 HZ2 LYS A 481 -5.320 14.584 1.845 1.00 0.00 H ATOM 1558 HZ3 LYS A 481 -5.069 16.146 1.225 1.00 0.00 H ATOM 1559 H LYS A 481 -0.533 13.938 5.844 1.00 0.00 H ATOM 1560 N ILE A 482 0.034 11.096 4.446 1.00 18.93 N ATOM 1561 CA ILE A 482 0.534 9.760 4.181 1.00 15.40 C ATOM 1562 C ILE A 482 -0.327 8.712 4.892 1.00 15.38 C ATOM 1563 O ILE A 482 -0.563 7.635 4.349 1.00 14.98 O ATOM 1564 CB ILE A 482 1.991 9.608 4.599 1.00 16.50 C ATOM 1565 CG1 ILE A 482 2.844 10.604 3.811 1.00 16.12 C ATOM 1566 CG2 ILE A 482 2.465 8.200 4.333 1.00 15.35 C ATOM 1567 CD1 ILE A 482 4.304 10.550 4.145 1.00 17.21 C ATOM 1568 H ILE A 482 0.582 11.752 5.038 1.00 0.00 H ATOM 1569 N THR A 483 -0.808 9.042 6.083 1.00 13.36 N ATOM 1570 CA THR A 483 -1.770 8.161 6.747 1.00 14.57 C ATOM 1571 C THR A 483 -3.018 7.992 5.876 1.00 16.17 C ATOM 1572 O THR A 483 -3.450 6.866 5.628 1.00 15.24 O ATOM 1573 CB THR A 483 -2.185 8.714 8.127 1.00 17.37 C ATOM 1574 OG1 THR A 483 -1.029 8.861 8.963 1.00 16.64 O ATOM 1575 CG2 THR A 483 -3.207 7.784 8.804 1.00 15.03 C ATOM 1576 HG1 THR A 483 -0.393 9.489 8.537 1.00 0.00 H ATOM 1577 H THR A 483 -0.503 9.923 6.543 1.00 0.00 H ATOM 1578 N ASP A 484 -3.586 9.105 5.407 1.00 13.72 N ATOM 1579 CA ASP A 484 -4.776 9.047 4.554 1.00 17.96 C ATOM 1580 C ASP A 484 -4.525 8.113 3.365 1.00 18.05 C ATOM 1581 O ASP A 484 -5.398 7.342 2.944 1.00 18.14 O ATOM 1582 CB ASP A 484 -5.153 10.442 4.021 1.00 19.03 C ATOM 1583 CG ASP A 484 -5.603 11.433 5.104 1.00 19.80 C ATOM 1584 OD1 ASP A 484 -5.955 11.047 6.244 1.00 21.02 O ATOM 1585 OD2 ASP A 484 -5.630 12.639 4.773 1.00 19.20 O ATOM 1586 H ASP A 484 -3.177 10.029 5.651 1.00 0.00 H ATOM 1587 N THR A 485 -3.311 8.205 2.838 1.00 16.72 N ATOM 1588 CA THR A 485 -2.890 7.440 1.667 1.00 19.47 C ATOM 1589 C THR A 485 -2.795 5.958 1.984 1.00 17.96 C ATOM 1590 O THR A 485 -3.258 5.134 1.196 1.00 17.16 O ATOM 1591 CB THR A 485 -1.541 7.974 1.142 1.00 20.17 C ATOM 1592 OG1 THR A 485 -1.735 9.317 0.680 1.00 20.94 O ATOM 1593 CG2 THR A 485 -1.012 7.129 -0.011 1.00 20.81 C ATOM 1594 HG1 THR A 485 -2.054 9.880 1.429 1.00 0.00 H ATOM 1595 H THR A 485 -2.627 8.852 3.279 1.00 0.00 H ATOM 1596 N LEU A 486 -2.226 5.605 3.138 1.00 18.00 N ATOM 1597 CA LEU A 486 -2.183 4.202 3.539 1.00 16.62 C ATOM 1598 C LEU A 486 -3.582 3.632 3.639 1.00 16.94 C ATOM 1599 O LEU A 486 -3.842 2.521 3.182 1.00 18.20 O ATOM 1600 CB LEU A 486 -1.463 4.034 4.883 1.00 15.55 C ATOM 1601 CG LEU A 486 0.063 3.999 4.787 1.00 16.58 C ATOM 1602 CD1 LEU A 486 0.729 4.161 6.147 1.00 15.19 C ATOM 1603 CD2 LEU A 486 0.528 2.724 4.083 1.00 14.00 C ATOM 1604 H LEU A 486 -1.811 6.333 3.755 1.00 0.00 H ATOM 1605 N ILE A 487 -4.488 4.396 4.239 1.00 15.63 N ATOM 1606 CA ILE A 487 -5.855 3.926 4.436 1.00 16.75 C ATOM 1607 C ILE A 487 -6.538 3.757 3.093 1.00 19.45 C ATOM 1608 O ILE A 487 -7.288 2.798 2.875 1.00 21.32 O ATOM 1609 CB ILE A 487 -6.664 4.898 5.309 1.00 16.32 C ATOM 1610 CG1 ILE A 487 -6.143 4.877 6.753 1.00 17.65 C ATOM 1611 CG2 ILE A 487 -8.156 4.557 5.234 1.00 17.00 C ATOM 1612 CD1 ILE A 487 -6.399 3.575 7.515 1.00 16.78 C ATOM 1613 H ILE A 487 -4.219 5.343 4.573 1.00 0.00 H ATOM 1614 N HIS A 488 -6.278 4.704 2.201 1.00 19.25 N ATOM 1615 CA HIS A 488 -6.799 4.674 0.844 1.00 21.09 C ATOM 1616 C HIS A 488 -6.389 3.382 0.144 1.00 22.39 C ATOM 1617 O HIS A 488 -7.226 2.686 -0.438 1.00 21.84 O ATOM 1618 CB HIS A 488 -6.298 5.902 0.078 1.00 23.82 C ATOM 1619 CG HIS A 488 -6.647 5.897 -1.374 1.00 29.09 C ATOM 1620 ND1 HIS A 488 -7.873 6.319 -1.850 1.00 33.54 N ATOM 1621 CD2 HIS A 488 -5.927 5.535 -2.462 1.00 31.21 C ATOM 1622 CE1 HIS A 488 -7.891 6.205 -3.166 1.00 36.83 C ATOM 1623 NE2 HIS A 488 -6.725 5.732 -3.562 1.00 34.99 N ATOM 1624 H HIS A 488 -5.675 5.503 2.485 1.00 0.00 H ATOM 1625 N LEU A 489 -5.103 3.052 0.234 1.00 20.20 N ATOM 1626 CA LEU A 489 -4.550 1.860 -0.399 1.00 20.44 C ATOM 1627 C LEU A 489 -5.231 0.595 0.123 1.00 19.18 C ATOM 1628 O LEU A 489 -5.634 -0.271 -0.658 1.00 21.56 O ATOM 1629 CB LEU A 489 -3.032 1.793 -0.169 1.00 20.68 C ATOM 1630 CG LEU A 489 -2.187 2.761 -1.005 1.00 20.13 C ATOM 1631 CD1 LEU A 489 -0.797 2.931 -0.418 1.00 20.09 C ATOM 1632 CD2 LEU A 489 -2.100 2.241 -2.430 1.00 22.52 C ATOM 1633 H LEU A 489 -4.466 3.669 0.778 1.00 0.00 H ATOM 1634 N MET A 490 -5.385 0.516 1.437 1.00 17.94 N ATOM 1635 CA MET A 490 -6.001 -0.650 2.063 1.00 19.66 C ATOM 1636 C MET A 490 -7.474 -0.823 1.695 1.00 22.12 C ATOM 1637 O MET A 490 -7.920 -1.939 1.421 1.00 22.54 O ATOM 1638 CB MET A 490 -5.839 -0.545 3.577 1.00 17.08 C ATOM 1639 CG MET A 490 -4.385 -0.568 3.984 1.00 13.56 C ATOM 1640 SD MET A 490 -4.163 -0.354 5.749 1.00 18.79 S ATOM 1641 CE MET A 490 -2.400 -0.062 5.829 1.00 21.51 C ATOM 1642 H MET A 490 -5.060 1.302 2.035 1.00 0.00 H ATOM 1643 N ALA A 491 -8.223 0.277 1.687 1.00 21.67 N ATOM 1644 CA ALA A 491 -9.624 0.232 1.274 1.00 23.34 C ATOM 1645 C ALA A 491 -9.717 -0.210 -0.177 1.00 25.45 C ATOM 1646 O ALA A 491 -10.555 -1.042 -0.545 1.00 25.51 O ATOM 1647 CB ALA A 491 -10.276 1.593 1.468 1.00 23.46 C ATOM 1648 H ALA A 491 -7.805 1.183 1.979 1.00 0.00 H ATOM 1649 N LYS A 492 -8.839 0.343 -1.002 1.00 25.72 N ATOM 1650 CA LYS A 492 -8.795 -0.004 -2.413 1.00 28.76 C ATOM 1651 C LYS A 492 -8.469 -1.486 -2.610 1.00 29.48 C ATOM 1652 O LYS A 492 -8.914 -2.094 -3.583 1.00 31.85 O ATOM 1653 CB LYS A 492 -7.778 0.887 -3.127 1.00 32.53 C ATOM 1654 CG LYS A 492 -7.629 0.623 -4.617 1.00 38.58 C ATOM 1655 CD LYS A 492 -6.764 1.699 -5.262 1.00 42.24 C ATOM 1656 CE LYS A 492 -6.297 1.281 -6.644 1.00 47.04 C ATOM 1657 NZ LYS A 492 -5.463 2.328 -7.299 1.00 48.56 N ATOM 1658 HZ1 LYS A 492 -6.019 3.202 -7.396 1.00 0.00 H ATOM 1659 HZ2 LYS A 492 -4.622 2.514 -6.716 1.00 0.00 H ATOM 1660 HZ3 LYS A 492 -5.168 1.996 -8.240 1.00 0.00 H ATOM 1661 H LYS A 492 -8.165 1.042 -0.631 1.00 0.00 H ATOM 1662 N ALA A 493 -7.714 -2.074 -1.686 1.00 28.82 N ATOM 1663 CA ALA A 493 -7.331 -3.484 -1.782 1.00 29.12 C ATOM 1664 C ALA A 493 -8.369 -4.418 -1.168 1.00 32.53 C ATOM 1665 O ALA A 493 -8.159 -5.629 -1.082 1.00 35.61 O ATOM 1666 CB ALA A 493 -5.987 -3.704 -1.130 1.00 29.08 C ATOM 1667 H ALA A 493 -7.386 -1.516 -0.872 1.00 0.00 H ATOM 1668 N GLY A 494 -9.483 -3.850 -0.722 1.00 28.24 N ATOM 1669 CA GLY A 494 -10.591 -4.655 -0.258 1.00 28.91 C ATOM 1670 C GLY A 494 -10.729 -4.863 1.240 1.00 25.05 C ATOM 1671 O GLY A 494 -11.661 -5.535 1.672 1.00 24.75 O ATOM 1672 H GLY A 494 -9.560 -2.813 -0.706 1.00 0.00 H ATOM 1673 N LEU A 495 -9.827 -4.290 2.035 1.00 19.82 N ATOM 1674 CA LEU A 495 -9.896 -4.508 3.479 1.00 18.90 C ATOM 1675 C LEU A 495 -11.123 -3.845 4.083 1.00 19.79 C ATOM 1676 O LEU A 495 -11.519 -2.757 3.671 1.00 17.60 O ATOM 1677 CB LEU A 495 -8.635 -3.990 4.174 1.00 16.06 C ATOM 1678 CG LEU A 495 -7.409 -4.891 4.041 1.00 19.18 C ATOM 1679 CD1 LEU A 495 -6.961 -4.971 2.594 1.00 22.07 C ATOM 1680 CD2 LEU A 495 -6.288 -4.385 4.926 1.00 18.06 C ATOM 1681 H LEU A 495 -9.078 -3.691 1.631 1.00 0.00 H ATOM 1682 N THR A 496 -11.742 -4.514 5.046 1.00 17.73 N ATOM 1683 CA THR A 496 -12.886 -3.947 5.746 1.00 18.82 C ATOM 1684 C THR A 496 -12.441 -2.744 6.578 1.00 18.39 C ATOM 1685 O THR A 496 -11.257 -2.544 6.802 1.00 16.35 O ATOM 1686 CB THR A 496 -13.523 -4.957 6.681 1.00 19.82 C ATOM 1687 OG1 THR A 496 -12.624 -5.205 7.765 1.00 17.99 O ATOM 1688 CG2 THR A 496 -13.817 -6.263 5.950 1.00 19.98 C ATOM 1689 HG1 THR A 496 -13.029 -5.864 8.384 1.00 0.00 H ATOM 1690 H THR A 496 -11.404 -5.462 5.306 1.00 0.00 H ATOM 1691 N LEU A 497 -13.399 -1.961 7.054 1.00 17.64 N ATOM 1692 CA LEU A 497 -13.027 -0.780 7.822 1.00 17.90 C ATOM 1693 C LEU A 497 -12.201 -1.134 9.070 1.00 15.47 C ATOM 1694 O LEU A 497 -11.202 -0.475 9.361 1.00 14.41 O ATOM 1695 CB LEU A 497 -14.283 -0.004 8.206 1.00 20.19 C ATOM 1696 CG LEU A 497 -14.099 1.316 8.946 1.00 20.80 C ATOM 1697 CD1 LEU A 497 -13.206 2.239 8.143 1.00 22.73 C ATOM 1698 CD2 LEU A 497 -15.458 1.946 9.184 1.00 19.60 C ATOM 1699 H LEU A 497 -14.400 -2.186 6.882 1.00 0.00 H ATOM 1700 N GLN A 498 -12.599 -2.183 9.784 1.00 16.81 N ATOM 1701 CA GLN A 498 -11.815 -2.618 10.939 1.00 16.15 C ATOM 1702 C GLN A 498 -10.438 -3.145 10.538 1.00 17.33 C ATOM 1703 O GLN A 498 -9.450 -2.870 11.221 1.00 15.30 O ATOM 1704 CB GLN A 498 -12.586 -3.692 11.724 1.00 18.46 C ATOM 1705 CG GLN A 498 -13.886 -3.168 12.343 1.00 21.68 C ATOM 1706 CD GLN A 498 -14.859 -4.259 12.789 1.00 30.15 C ATOM 1707 OE1 GLN A 498 -15.025 -5.282 12.124 1.00 35.71 O ATOM 1708 NE2 GLN A 498 -15.510 -4.033 13.925 1.00 29.21 N ATOM 1709 HE22 GLN A 498 -15.340 -3.155 14.456 1.00 0.00 H ATOM 1710 HE21 GLN A 498 -16.190 -4.734 14.283 1.00 0.00 H ATOM 1711 H GLN A 498 -13.466 -2.693 9.521 1.00 0.00 H ATOM 1712 N GLN A 499 -10.351 -3.888 9.436 1.00 15.37 N ATOM 1713 CA GLN A 499 -9.053 -4.393 8.985 1.00 14.95 C ATOM 1714 C GLN A 499 -8.114 -3.258 8.626 1.00 13.96 C ATOM 1715 O GLN A 499 -6.887 -3.387 8.751 1.00 16.18 O ATOM 1716 CB GLN A 499 -9.228 -5.331 7.783 1.00 15.83 C ATOM 1717 CG GLN A 499 -9.847 -6.673 8.142 1.00 17.08 C ATOM 1718 CD GLN A 499 -10.215 -7.499 6.926 1.00 21.79 C ATOM 1719 OE1 GLN A 499 -10.415 -6.966 5.836 1.00 19.72 O ATOM 1720 NE2 GLN A 499 -10.299 -8.812 7.110 1.00 25.21 N ATOM 1721 HE22 GLN A 499 -10.121 -9.218 8.051 1.00 0.00 H ATOM 1722 HE21 GLN A 499 -10.543 -9.434 6.313 1.00 0.00 H ATOM 1723 H GLN A 499 -11.210 -4.111 8.893 1.00 0.00 H ATOM 1724 N GLN A 500 -8.673 -2.137 8.189 1.00 14.38 N ATOM 1725 CA GLN A 500 -7.857 -0.999 7.786 1.00 12.96 C ATOM 1726 C GLN A 500 -7.132 -0.394 8.993 1.00 12.67 C ATOM 1727 O GLN A 500 -5.922 -0.180 8.927 1.00 11.57 O ATOM 1728 CB GLN A 500 -8.711 0.066 7.081 1.00 13.28 C ATOM 1729 CG GLN A 500 -9.278 -0.334 5.699 1.00 14.14 C ATOM 1730 CD GLN A 500 -10.358 0.631 5.225 1.00 17.61 C ATOM 1731 OE1 GLN A 500 -10.346 1.801 5.588 1.00 17.43 O ATOM 1732 NE2 GLN A 500 -11.313 0.132 4.433 1.00 16.43 N ATOM 1733 HE22 GLN A 500 -11.283 -0.868 4.149 1.00 0.00 H ATOM 1734 HE21 GLN A 500 -12.085 0.744 4.101 1.00 0.00 H ATOM 1735 H GLN A 500 -9.709 -2.069 8.133 1.00 0.00 H ATOM 1736 N HIS A 501 -7.837 -0.143 10.100 1.00 12.40 N ATOM 1737 CA HIS A 501 -7.135 0.438 11.243 1.00 11.91 C ATOM 1738 C HIS A 501 -6.213 -0.588 11.907 1.00 11.76 C ATOM 1739 O HIS A 501 -5.154 -0.224 12.427 1.00 11.23 O ATOM 1740 CB HIS A 501 -8.115 1.098 12.256 1.00 13.30 C ATOM 1741 CG HIS A 501 -8.998 0.164 13.035 1.00 15.23 C ATOM 1742 ND1 HIS A 501 -10.374 0.289 13.043 1.00 15.23 N ATOM 1743 CD2 HIS A 501 -8.713 -0.824 13.925 1.00 13.42 C ATOM 1744 CE1 HIS A 501 -10.896 -0.613 13.849 1.00 17.15 C ATOM 1745 NE2 HIS A 501 -9.913 -1.305 14.398 1.00 16.31 N ATOM 1746 H HIS A 501 -8.854 -0.355 10.147 1.00 0.00 H ATOM 1747 N GLN A 502 -6.569 -1.868 11.841 1.00 12.35 N ATOM 1748 CA GLN A 502 -5.712 -2.902 12.422 1.00 13.14 C ATOM 1749 C GLN A 502 -4.407 -3.025 11.657 1.00 13.24 C ATOM 1750 O GLN A 502 -3.337 -3.135 12.260 1.00 14.37 O ATOM 1751 CB GLN A 502 -6.437 -4.251 12.440 1.00 13.46 C ATOM 1752 CG GLN A 502 -7.501 -4.303 13.505 1.00 14.22 C ATOM 1753 CD GLN A 502 -8.377 -5.525 13.424 1.00 20.81 C ATOM 1754 OE1 GLN A 502 -8.247 -6.344 12.512 1.00 20.47 O ATOM 1755 NE2 GLN A 502 -9.280 -5.658 14.381 1.00 20.34 N ATOM 1756 HE22 GLN A 502 -9.353 -4.941 15.131 1.00 0.00 H ATOM 1757 HE21 GLN A 502 -9.917 -6.480 14.384 1.00 0.00 H ATOM 1758 H GLN A 502 -7.460 -2.135 11.375 1.00 0.00 H ATOM 1759 N ARG A 503 -4.490 -2.983 10.327 1.00 11.78 N ATOM 1760 CA ARG A 503 -3.289 -3.078 9.509 1.00 12.18 C ATOM 1761 C ARG A 503 -2.466 -1.798 9.584 1.00 13.24 C ATOM 1762 O ARG A 503 -1.245 -1.866 9.601 1.00 11.63 O ATOM 1763 CB ARG A 503 -3.629 -3.378 8.039 1.00 11.82 C ATOM 1764 CG ARG A 503 -2.391 -3.544 7.142 1.00 15.00 C ATOM 1765 CD ARG A 503 -2.781 -4.068 5.761 1.00 14.68 C ATOM 1766 NE ARG A 503 -1.644 -4.285 4.862 1.00 15.41 N ATOM 1767 CZ ARG A 503 -0.949 -5.412 4.783 1.00 17.25 C ATOM 1768 NH1 ARG A 503 -1.239 -6.442 5.569 1.00 14.76 N ATOM 1769 NH2 ARG A 503 0.053 -5.510 3.920 1.00 16.24 N ATOM 1770 HE ARG A 503 -1.362 -3.499 4.242 1.00 0.00 H ATOM 1771 HH12 ARG A 503 -0.688 -7.321 5.499 1.00 0.00 H ATOM 1772 HH11 ARG A 503 -2.017 -6.370 6.255 1.00 0.00 H ATOM 1773 HH22 ARG A 503 0.600 -6.392 3.856 1.00 0.00 H ATOM 1774 HH21 ARG A 503 0.292 -4.704 3.307 1.00 0.00 H ATOM 1775 H ARG A 503 -5.419 -2.882 9.871 1.00 0.00 H ATOM 1776 N LEU A 504 -3.139 -0.646 9.635 1.00 12.26 N ATOM 1777 CA LEU A 504 -2.404 0.615 9.793 1.00 11.21 C ATOM 1778 C LEU A 504 -1.529 0.520 11.038 1.00 11.32 C ATOM 1779 O LEU A 504 -0.341 0.824 10.981 1.00 12.05 O ATOM 1780 CB LEU A 504 -3.355 1.813 9.874 1.00 11.57 C ATOM 1781 CG LEU A 504 -2.687 3.171 10.165 1.00 12.32 C ATOM 1782 CD1 LEU A 504 -1.734 3.597 9.058 1.00 12.19 C ATOM 1783 CD2 LEU A 504 -3.735 4.233 10.387 1.00 15.27 C ATOM 1784 H LEU A 504 -4.177 -0.642 9.563 1.00 0.00 H ATOM 1785 N ALA A 505 -2.109 0.063 12.144 1.00 10.45 N ATOM 1786 CA ALA A 505 -1.346 -0.085 13.393 1.00 10.97 C ATOM 1787 C ALA A 505 -0.231 -1.140 13.291 1.00 12.81 C ATOM 1788 O ALA A 505 0.881 -0.911 13.769 1.00 11.37 O ATOM 1789 CB ALA A 505 -2.301 -0.411 14.552 1.00 10.55 C ATOM 1790 H ALA A 505 -3.117 -0.194 12.126 1.00 0.00 H ATOM 1791 N GLN A 506 -0.508 -2.282 12.663 1.00 11.39 N ATOM 1792 CA GLN A 506 0.537 -3.300 12.496 1.00 13.15 C ATOM 1793 C GLN A 506 1.738 -2.738 11.734 1.00 14.66 C ATOM 1794 O GLN A 506 2.886 -2.955 12.118 1.00 11.74 O ATOM 1795 CB GLN A 506 -0.014 -4.536 11.761 1.00 12.83 C ATOM 1796 CG GLN A 506 -1.084 -5.331 12.531 1.00 15.60 C ATOM 1797 CD GLN A 506 -1.986 -6.163 11.619 1.00 22.71 C ATOM 1798 OE1 GLN A 506 -1.732 -6.307 10.427 1.00 22.50 O ATOM 1799 NE2 GLN A 506 -3.054 -6.718 12.191 1.00 21.53 N ATOM 1800 HE22 GLN A 506 -3.235 -6.573 13.205 1.00 0.00 H ATOM 1801 HE21 GLN A 506 -3.706 -7.296 11.624 1.00 0.00 H ATOM 1802 H GLN A 506 -1.464 -2.452 12.291 1.00 0.00 H ATOM 1803 N LEU A 507 1.472 -1.996 10.661 1.00 12.55 N ATOM 1804 CA LEU A 507 2.564 -1.449 9.872 1.00 14.48 C ATOM 1805 C LEU A 507 3.362 -0.396 10.647 1.00 15.03 C ATOM 1806 O LEU A 507 4.588 -0.381 10.585 1.00 12.74 O ATOM 1807 CB LEU A 507 2.034 -0.848 8.570 1.00 14.78 C ATOM 1808 CG LEU A 507 1.464 -1.814 7.525 1.00 19.50 C ATOM 1809 CD1 LEU A 507 0.899 -1.029 6.360 1.00 22.04 C ATOM 1810 CD2 LEU A 507 2.516 -2.815 7.050 1.00 19.11 C ATOM 1811 H LEU A 507 0.486 -1.808 10.388 1.00 0.00 H ATOM 1812 N LEU A 508 2.669 0.465 11.388 1.00 12.58 N ATOM 1813 CA LEU A 508 3.362 1.545 12.087 1.00 10.51 C ATOM 1814 C LEU A 508 4.133 1.031 13.299 1.00 12.13 C ATOM 1815 O LEU A 508 5.184 1.579 13.652 1.00 12.17 O ATOM 1816 CB LEU A 508 2.356 2.629 12.498 1.00 10.71 C ATOM 1817 CG LEU A 508 1.715 3.374 11.324 1.00 12.38 C ATOM 1818 CD1 LEU A 508 0.770 4.439 11.824 1.00 10.95 C ATOM 1819 CD2 LEU A 508 2.782 3.976 10.428 1.00 12.61 C ATOM 1820 H LEU A 508 1.637 0.369 11.469 1.00 0.00 H ATOM 1821 N LEU A 509 3.643 -0.037 13.919 1.00 9.32 N ATOM 1822 CA LEU A 509 4.375 -0.638 15.030 1.00 9.55 C ATOM 1823 C LEU A 509 5.701 -1.243 14.555 1.00 11.79 C ATOM 1824 O LEU A 509 6.644 -1.324 15.330 1.00 14.45 O ATOM 1825 CB LEU A 509 3.521 -1.698 15.724 1.00 10.42 C ATOM 1826 CG LEU A 509 2.372 -1.142 16.564 1.00 11.74 C ATOM 1827 CD1 LEU A 509 1.662 -2.296 17.204 1.00 14.96 C ATOM 1828 CD2 LEU A 509 2.912 -0.200 17.612 1.00 13.19 C ATOM 1829 H LEU A 509 2.737 -0.445 13.613 1.00 0.00 H ATOM 1830 N ILE A 510 5.793 -1.635 13.286 1.00 10.45 N ATOM 1831 CA ILE A 510 7.085 -2.144 12.806 1.00 11.69 C ATOM 1832 C ILE A 510 8.117 -1.016 12.761 1.00 12.82 C ATOM 1833 O ILE A 510 9.316 -1.264 12.897 1.00 12.75 O ATOM 1834 CB ILE A 510 6.946 -2.830 11.421 1.00 28.11 C ATOM 1835 CG1 ILE A 510 6.080 -4.078 11.559 1.00 30.39 C ATOM 1836 CG2 ILE A 510 8.291 -3.308 10.901 1.00 28.28 C ATOM 1837 CD1 ILE A 510 5.727 -4.729 10.243 1.00 30.22 C ATOM 1838 H ILE A 510 4.971 -1.582 12.651 1.00 0.00 H ATOM 1839 N LEU A 511 7.664 0.226 12.627 1.00 11.79 N ATOM 1840 CA LEU A 511 8.607 1.336 12.615 1.00 13.02 C ATOM 1841 C LEU A 511 9.378 1.442 13.938 1.00 10.45 C ATOM 1842 O LEU A 511 10.507 1.931 13.950 1.00 13.11 O ATOM 1843 CB LEU A 511 7.891 2.647 12.316 1.00 14.09 C ATOM 1844 CG LEU A 511 7.179 2.768 10.963 1.00 14.55 C ATOM 1845 CD1 LEU A 511 6.880 4.232 10.725 1.00 12.65 C ATOM 1846 CD2 LEU A 511 7.985 2.171 9.806 1.00 15.93 C ATOM 1847 H LEU A 511 6.644 0.404 12.531 1.00 0.00 H ATOM 1848 N SER A 512 8.787 0.981 15.037 1.00 10.48 N ATOM 1849 CA SER A 512 9.483 0.948 16.316 1.00 9.87 C ATOM 1850 C SER A 512 10.618 -0.066 16.290 1.00 10.94 C ATOM 1851 O SER A 512 11.692 0.159 16.841 1.00 11.56 O ATOM 1852 CB SER A 512 8.518 0.608 17.454 1.00 9.69 C ATOM 1853 OG SER A 512 9.239 0.191 18.599 1.00 9.90 O ATOM 1854 HG SER A 512 9.774 -0.612 18.376 1.00 0.00 H ATOM 1855 H SER A 512 7.807 0.637 14.982 1.00 0.00 H ATOM 1856 N HIS A 513 10.367 -1.198 15.638 1.00 9.65 N ATOM 1857 CA HIS A 513 11.409 -2.210 15.462 1.00 11.84 C ATOM 1858 C HIS A 513 12.532 -1.718 14.539 1.00 10.86 C ATOM 1859 O HIS A 513 13.700 -1.981 14.787 1.00 11.27 O ATOM 1860 CB HIS A 513 10.809 -3.499 14.906 1.00 15.42 C ATOM 1861 CG HIS A 513 9.822 -4.148 15.826 1.00 25.46 C ATOM 1862 ND1 HIS A 513 10.183 -5.098 16.755 1.00 30.30 N ATOM 1863 CD2 HIS A 513 8.489 -3.974 15.965 1.00 29.98 C ATOM 1864 CE1 HIS A 513 9.111 -5.487 17.424 1.00 30.10 C ATOM 1865 NE2 HIS A 513 8.067 -4.818 16.962 1.00 28.52 N ATOM 1866 H HIS A 513 9.418 -1.366 15.248 1.00 0.00 H ATOM 1867 N ILE A 514 12.181 -1.006 13.479 1.00 8.01 N ATOM 1868 CA ILE A 514 13.230 -0.463 12.605 1.00 10.30 C ATOM 1869 C ILE A 514 14.101 0.575 13.331 1.00 9.69 C ATOM 1870 O ILE A 514 15.324 0.596 13.147 1.00 9.76 O ATOM 1871 CB ILE A 514 12.601 0.136 11.335 1.00 8.86 C ATOM 1872 CG1 ILE A 514 12.041 -0.998 10.468 1.00 14.30 C ATOM 1873 CG2 ILE A 514 13.618 1.012 10.579 1.00 9.74 C ATOM 1874 CD1 ILE A 514 11.172 -0.555 9.307 1.00 16.32 C ATOM 1875 H ILE A 514 11.177 -0.834 13.268 1.00 0.00 H ATOM 1876 N ARG A 515 13.484 1.415 14.160 1.00 11.99 N ATOM 1877 CA ARG A 515 14.236 2.366 14.995 1.00 10.83 C ATOM 1878 C ARG A 515 15.223 1.641 15.879 1.00 11.40 C ATOM 1879 O ARG A 515 16.406 2.009 15.973 1.00 9.75 O ATOM 1880 CB ARG A 515 13.293 3.188 15.879 1.00 11.08 C ATOM 1881 CG ARG A 515 14.036 4.179 16.782 1.00 11.28 C ATOM 1882 CD ARG A 515 14.468 5.420 16.005 1.00 13.64 C ATOM 1883 NE ARG A 515 13.356 6.362 16.006 1.00 15.53 N ATOM 1884 CZ ARG A 515 13.450 7.688 16.069 1.00 18.72 C ATOM 1885 NH1 ARG A 515 14.634 8.290 16.117 1.00 22.89 N ATOM 1886 NH2 ARG A 515 12.340 8.410 16.086 1.00 21.82 N ATOM 1887 HE ARG A 515 12.398 5.960 15.952 1.00 0.00 H ATOM 1888 HH12 ARG A 515 14.688 9.327 16.166 1.00 0.00 H ATOM 1889 HH11 ARG A 515 15.506 7.724 16.106 1.00 0.00 H ATOM 1890 HH22 ARG A 515 12.395 9.447 16.135 1.00 0.00 H ATOM 1891 HH21 ARG A 515 11.413 7.940 16.050 1.00 0.00 H ATOM 1892 H ARG A 515 12.446 1.399 14.219 1.00 0.00 H ATOM 1893 N HIS A 516 14.738 0.612 16.560 1.00 11.61 N ATOM 1894 CA HIS A 516 15.585 -0.212 17.401 1.00 11.81 C ATOM 1895 C HIS A 516 16.797 -0.776 16.639 1.00 12.01 C ATOM 1896 O HIS A 516 17.924 -0.702 17.130 1.00 12.50 O ATOM 1897 CB HIS A 516 14.763 -1.357 17.997 1.00 12.18 C ATOM 1898 CG HIS A 516 15.537 -2.199 18.955 1.00 17.05 C ATOM 1899 ND1 HIS A 516 15.766 -1.822 20.262 1.00 19.03 N ATOM 1900 CD2 HIS A 516 16.140 -3.400 18.795 1.00 17.51 C ATOM 1901 CE1 HIS A 516 16.480 -2.756 20.867 1.00 19.13 C ATOM 1902 NE2 HIS A 516 16.717 -3.724 20.000 1.00 19.20 N ATOM 1903 H HIS A 516 13.724 0.390 16.489 1.00 0.00 H ATOM 1904 N MET A 517 16.553 -1.329 15.454 1.00 8.17 N ATOM 1905 CA MET A 517 17.643 -1.887 14.641 1.00 9.80 C ATOM 1906 C MET A 517 18.620 -0.817 14.213 1.00 11.33 C ATOM 1907 O MET A 517 19.839 -1.039 14.175 1.00 12.00 O ATOM 1908 CB MET A 517 17.064 -2.583 13.406 1.00 8.61 C ATOM 1909 CG MET A 517 16.267 -3.815 13.751 1.00 12.52 C ATOM 1910 SD MET A 517 15.883 -4.872 12.348 1.00 14.92 S ATOM 1911 CE MET A 517 14.790 -3.814 11.406 1.00 12.47 C ATOM 1912 H MET A 517 15.577 -1.367 15.098 1.00 0.00 H ATOM 1913 N SER A 518 18.092 0.357 13.889 1.00 9.30 N ATOM 1914 CA SER A 518 18.963 1.454 13.522 1.00 10.84 C ATOM 1915 C SER A 518 19.856 1.838 14.688 1.00 11.76 C ATOM 1916 O SER A 518 21.057 2.021 14.500 1.00 11.34 O ATOM 1917 CB SER A 518 18.154 2.663 13.063 1.00 10.96 C ATOM 1918 OG SER A 518 19.033 3.753 12.851 1.00 12.60 O ATOM 1919 HG SER A 518 19.502 3.966 13.696 1.00 0.00 H ATOM 1920 H SER A 518 17.060 0.488 13.899 1.00 0.00 H ATOM 1921 N ASN A 519 19.302 1.951 15.892 1.00 10.56 N ATOM 1922 CA ASN A 519 20.132 2.306 17.037 1.00 13.66 C ATOM 1923 C ASN A 519 21.199 1.258 17.302 1.00 12.24 C ATOM 1924 O ASN A 519 22.329 1.597 17.638 1.00 11.57 O ATOM 1925 CB ASN A 519 19.282 2.507 18.288 1.00 15.25 C ATOM 1926 CG ASN A 519 18.410 3.729 18.190 1.00 21.99 C ATOM 1927 OD1 ASN A 519 18.766 4.700 17.525 1.00 26.15 O ATOM 1928 ND2 ASN A 519 17.256 3.685 18.840 1.00 20.47 N ATOM 1929 HD22 ASN A 519 17.000 2.840 19.389 1.00 0.00 H ATOM 1930 HD21 ASN A 519 16.606 4.496 18.801 1.00 0.00 H ATOM 1931 H ASN A 519 18.283 1.787 16.016 1.00 0.00 H ATOM 1932 N LYS A 520 20.858 -0.015 17.147 1.00 11.35 N ATOM 1933 CA LYS A 520 21.865 -1.048 17.350 1.00 13.91 C ATOM 1934 C LYS A 520 22.911 -1.045 16.237 1.00 13.02 C ATOM 1935 O LYS A 520 24.091 -1.302 16.491 1.00 11.30 O ATOM 1936 CB LYS A 520 21.201 -2.419 17.457 1.00 17.31 C ATOM 1937 CG LYS A 520 20.358 -2.589 18.712 1.00 24.34 C ATOM 1938 CD LYS A 520 21.216 -2.395 19.948 1.00 29.89 C ATOM 1939 CE LYS A 520 20.495 -2.780 21.224 1.00 36.32 C ATOM 1940 NZ LYS A 520 21.424 -3.502 22.140 1.00 40.21 N ATOM 1941 HZ1 LYS A 520 21.772 -4.363 21.671 1.00 0.00 H ATOM 1942 HZ2 LYS A 520 22.227 -2.884 22.374 1.00 0.00 H ATOM 1943 HZ3 LYS A 520 20.918 -3.761 23.011 1.00 0.00 H ATOM 1944 H LYS A 520 19.885 -0.272 16.884 1.00 0.00 H ATOM 1945 N GLY A 521 22.504 -0.750 15.011 1.00 12.73 N ATOM 1946 CA GLY A 521 23.449 -0.745 13.909 1.00 10.19 C ATOM 1947 C GLY A 521 24.372 0.455 13.977 1.00 14.34 C ATOM 1948 O GLY A 521 25.514 0.411 13.525 1.00 11.87 O ATOM 1949 H GLY A 521 21.504 -0.521 14.838 1.00 0.00 H ATOM 1950 N MET A 522 23.880 1.536 14.532 1.00 11.32 N ATOM 1951 CA MET A 522 24.694 2.721 14.667 1.00 13.65 C ATOM 1952 C MET A 522 25.789 2.483 15.699 1.00 13.94 C ATOM 1953 O MET A 522 26.894 2.914 15.541 1.00 11.51 O ATOM 1954 CB MET A 522 23.855 3.904 15.086 1.00 11.62 C ATOM 1955 CG MET A 522 24.421 5.219 14.708 1.00 16.44 C ATOM 1956 SD MET A 522 24.319 5.556 12.944 1.00 17.23 S ATOM 1957 CE MET A 522 22.585 5.797 12.818 1.00 19.44 C ATOM 1958 H MET A 522 22.899 1.540 14.877 1.00 0.00 H ATOM 1959 N GLU A 523 25.413 1.817 16.771 1.00 30.00 N ATOM 1960 CA GLU A 523 26.373 1.491 17.805 1.00 30.00 C ATOM 1961 C GLU A 523 27.438 0.544 17.212 1.00 30.00 C ATOM 1962 O GLU A 523 28.590 0.689 17.437 1.00 30.00 O ATOM 1963 CB GLU A 523 25.689 0.869 19.012 1.00 20.00 C ATOM 1964 H GLU A 523 24.421 1.523 16.876 1.00 0.00 H ATOM 1965 N HIS A 524 26.986 -0.410 16.409 1.00 12.84 N ATOM 1966 CA HIS A 524 27.876 -1.334 15.753 1.00 10.97 C ATOM 1967 C HIS A 524 28.871 -0.617 14.830 1.00 11.28 C ATOM 1968 O HIS A 524 30.035 -0.787 14.943 1.00 12.03 O ATOM 1969 CB HIS A 524 27.103 -2.419 15.027 1.00 14.35 C ATOM 1970 CG HIS A 524 27.976 -3.448 14.397 1.00 13.66 C ATOM 1971 ND1 HIS A 524 28.508 -3.282 13.155 1.00 14.38 N ATOM 1972 CD2 HIS A 524 28.474 -4.608 14.866 1.00 15.26 C ATOM 1973 CE1 HIS A 524 29.255 -4.318 12.863 1.00 15.54 C ATOM 1974 NE2 HIS A 524 29.255 -5.136 13.887 1.00 14.39 N ATOM 1975 H HIS A 524 25.962 -0.493 16.249 1.00 0.00 H ATOM 1976 N LEU A 525 28.360 0.226 13.962 1.00 10.60 N ATOM 1977 CA LEU A 525 29.231 0.967 13.038 1.00 11.26 C ATOM 1978 C LEU A 525 30.238 1.839 13.787 1.00 11.70 C ATOM 1979 O LEU A 525 31.409 1.915 13.410 1.00 11.58 O ATOM 1980 CB LEU A 525 28.378 1.822 12.093 1.00 11.78 C ATOM 1981 CG LEU A 525 29.110 2.588 10.987 1.00 12.71 C ATOM 1982 CD1 LEU A 525 29.865 1.604 10.107 1.00 13.96 C ATOM 1983 CD2 LEU A 525 28.132 3.447 10.179 1.00 11.91 C ATOM 1984 H LEU A 525 27.331 0.371 13.928 1.00 0.00 H ATOM 1985 N TYR A 526 29.789 2.487 14.858 1.00 12.14 N ATOM 1986 CA TYR A 526 30.698 3.242 15.722 1.00 13.06 C ATOM 1987 C TYR A 526 31.820 2.368 16.262 1.00 15.88 C ATOM 1988 O TYR A 526 32.988 2.770 16.288 1.00 15.60 O ATOM 1989 CB TYR A 526 29.906 3.860 16.879 1.00 15.91 C ATOM 1990 CG TYR A 526 30.705 4.851 17.691 1.00 20.52 C ATOM 1991 CD1 TYR A 526 31.015 6.104 17.177 1.00 25.35 C ATOM 1992 CD2 TYR A 526 31.137 4.542 18.971 1.00 26.02 C ATOM 1993 CE1 TYR A 526 31.739 7.018 17.920 1.00 29.40 C ATOM 1994 CE2 TYR A 526 31.857 5.443 19.718 1.00 31.30 C ATOM 1995 CZ TYR A 526 32.159 6.679 19.189 1.00 34.83 C ATOM 1996 OH TYR A 526 32.883 7.576 19.948 1.00 43.94 O ATOM 1997 HH TYR A 526 33.017 8.410 19.432 1.00 0.00 H ATOM 1998 H TYR A 526 28.775 2.457 15.086 1.00 0.00 H ATOM 1999 N SER A 527 31.473 1.146 16.669 1.00 13.90 N ATOM 2000 CA SER A 527 32.466 0.224 17.206 1.00 14.79 C ATOM 2001 C SER A 527 33.475 -0.228 16.142 1.00 14.57 C ATOM 2002 O SER A 527 34.655 -0.401 16.451 1.00 15.02 O ATOM 2003 CB SER A 527 31.773 -0.994 17.811 1.00 13.99 C ATOM 2004 OG SER A 527 31.389 -1.898 16.796 1.00 15.11 O ATOM 2005 HG SER A 527 30.765 -1.448 16.174 1.00 0.00 H ATOM 2006 H SER A 527 30.479 0.847 16.602 1.00 0.00 H ATOM 2007 N MET A 528 33.012 -0.425 14.912 1.00 13.87 N ATOM 2008 CA MET A 528 33.897 -0.762 13.781 1.00 13.85 C ATOM 2009 C MET A 528 34.862 0.379 13.459 1.00 16.16 C ATOM 2010 O MET A 528 36.051 0.159 13.228 1.00 17.25 O ATOM 2011 CB MET A 528 33.084 -1.096 12.524 1.00 15.31 C ATOM 2012 CG MET A 528 32.221 -2.337 12.645 1.00 16.30 C ATOM 2013 SD MET A 528 33.197 -3.839 12.900 1.00 22.15 S ATOM 2014 CE MET A 528 33.213 -4.047 14.687 1.00 21.96 C ATOM 2015 H MET A 528 31.990 -0.339 14.741 1.00 0.00 H ATOM 2016 N LYS A 529 34.326 1.595 13.441 1.00 12.88 N ATOM 2017 CA LYS A 529 35.156 2.788 13.287 1.00 15.47 C ATOM 2018 C LYS A 529 36.213 2.916 14.370 1.00 18.38 C ATOM 2019 O LYS A 529 37.417 3.155 14.090 1.00 15.81 O ATOM 2020 CB LYS A 529 34.279 4.041 13.328 1.00 17.13 C ATOM 2021 CG LYS A 529 35.109 5.296 13.160 1.00 20.85 C ATOM 2022 CD LYS A 529 34.289 6.536 13.391 1.00 28.22 C ATOM 2023 CE LYS A 529 34.247 6.875 14.854 1.00 31.67 C ATOM 2024 NZ LYS A 529 35.143 8.037 15.055 1.00 37.08 N ATOM 2025 HZ1 LYS A 529 36.109 7.783 14.764 1.00 0.00 H ATOM 2026 HZ2 LYS A 529 34.806 8.837 14.482 1.00 0.00 H ATOM 2027 HZ3 LYS A 529 35.142 8.304 16.060 1.00 0.00 H ATOM 2028 H LYS A 529 33.296 1.700 13.538 1.00 0.00 H TER 2029 LYS A 529 ATOM 2030 N LYS A 531 37.491 0.820 16.252 1.00 15.47 N ATOM 2031 CA LYS A 531 38.482 -0.257 16.207 1.00 16.81 C ATOM 2032 C LYS A 531 39.334 -0.237 14.937 1.00 18.33 C ATOM 2033 O LYS A 531 40.108 -1.164 14.703 1.00 19.57 O ATOM 2034 CB LYS A 531 37.787 -1.617 16.322 1.00 17.77 C ATOM 2035 CG LYS A 531 37.205 -1.890 17.682 1.00 24.79 C ATOM 2036 CD LYS A 531 36.408 -3.173 17.686 1.00 29.75 C ATOM 2037 CE LYS A 531 35.836 -3.456 19.069 1.00 37.39 C ATOM 2038 NZ LYS A 531 35.081 -2.302 19.629 1.00 40.99 N ATOM 2039 HZ1 LYS A 531 35.714 -1.481 19.709 1.00 0.00 H ATOM 2040 HZ2 LYS A 531 34.288 -2.069 18.998 1.00 0.00 H ATOM 2041 HZ3 LYS A 531 34.716 -2.552 20.570 1.00 0.00 H ATOM 2042 HN3 LYS A 531 36.848 0.732 15.439 1.00 0.00 H ATOM 2043 HN2 LYS A 531 37.977 1.739 16.213 1.00 0.00 H ATOM 2044 HN1 LYS A 531 36.947 0.752 17.136 1.00 0.00 H ATOM 2045 N ASN A 532 39.201 0.801 14.117 1.00 15.73 N ATOM 2046 CA ASN A 532 39.907 0.882 12.826 1.00 15.89 C ATOM 2047 C ASN A 532 39.730 -0.368 11.962 1.00 16.82 C ATOM 2048 O ASN A 532 40.647 -0.803 11.263 1.00 16.27 O ATOM 2049 CB ASN A 532 41.398 1.155 13.045 1.00 16.99 C ATOM 2050 CG ASN A 532 41.678 2.588 13.481 1.00 17.66 C ATOM 2051 OD1 ASN A 532 41.031 3.102 14.396 1.00 19.83 O ATOM 2052 ND2 ASN A 532 42.629 3.243 12.821 1.00 18.43 N ATOM 2053 HD22 ASN A 532 43.150 2.770 12.055 1.00 0.00 H ATOM 2054 HD21 ASN A 532 42.851 4.228 13.071 1.00 0.00 H ATOM 2055 H ASN A 532 38.576 1.584 14.397 1.00 0.00 H ATOM 2056 N VAL A 533 38.536 -0.945 12.004 1.00 17.26 N ATOM 2057 CA VAL A 533 38.238 -2.099 11.183 1.00 17.62 C ATOM 2058 C VAL A 533 38.089 -1.684 9.718 1.00 17.85 C ATOM 2059 O VAL A 533 38.542 -2.380 8.811 1.00 17.41 O ATOM 2060 CB VAL A 533 36.959 -2.796 11.669 1.00 20.72 C ATOM 2061 CG1 VAL A 533 36.481 -3.824 10.645 1.00 19.79 C ATOM 2062 CG2 VAL A 533 37.196 -3.417 13.058 1.00 21.57 C ATOM 2063 H VAL A 533 37.804 -0.563 12.636 1.00 0.00 H ATOM 2064 N VAL A 534 37.481 -0.521 9.505 1.00 15.50 N ATOM 2065 CA VAL A 534 37.129 -0.057 8.173 1.00 18.26 C ATOM 2066 C VAL A 534 37.252 1.467 8.121 1.00 19.21 C ATOM 2067 O VAL A 534 36.869 2.154 9.060 1.00 18.51 O ATOM 2068 CB VAL A 534 35.682 -0.504 7.784 1.00 27.54 C ATOM 2069 CG1 VAL A 534 34.676 -0.135 8.860 1.00 20.79 C ATOM 2070 CG2 VAL A 534 35.262 0.081 6.452 1.00 33.28 C ATOM 2071 H VAL A 534 37.249 0.079 10.322 1.00 0.00 H ATOM 2072 N PRO A 535 37.820 1.989 7.027 1.00 24.01 N ATOM 2073 CA PRO A 535 37.884 3.431 6.797 1.00 26.75 C ATOM 2074 C PRO A 535 36.539 3.936 6.277 1.00 26.95 C ATOM 2075 O PRO A 535 36.073 3.477 5.237 1.00 30.79 O ATOM 2076 CB PRO A 535 38.967 3.556 5.731 1.00 29.13 C ATOM 2077 CG PRO A 535 38.782 2.320 4.924 1.00 29.67 C ATOM 2078 CD PRO A 535 38.400 1.235 5.907 1.00 26.24 C ATOM 2079 N LEU A 536 35.909 4.845 7.007 1.00 23.86 N ATOM 2080 CA LEU A 536 34.615 5.345 6.567 1.00 18.92 C ATOM 2081 C LEU A 536 34.762 6.617 5.736 1.00 18.17 C ATOM 2082 O LEU A 536 35.655 7.425 5.975 1.00 19.92 O ATOM 2083 CB LEU A 536 33.709 5.600 7.765 1.00 17.99 C ATOM 2084 CG LEU A 536 33.400 4.384 8.641 1.00 21.39 C ATOM 2085 CD1 LEU A 536 32.501 4.775 9.809 1.00 22.38 C ATOM 2086 CD2 LEU A 536 32.782 3.266 7.812 1.00 20.66 C ATOM 2087 H LEU A 536 36.336 5.198 7.887 1.00 0.00 H ATOM 2088 N SER A 537 33.885 6.784 4.755 1.00 17.73 N ATOM 2089 CA SER A 537 33.870 7.996 3.946 1.00 20.42 C ATOM 2090 C SER A 537 33.617 9.230 4.811 1.00 22.82 C ATOM 2091 O SER A 537 33.106 9.124 5.922 1.00 17.31 O ATOM 2092 CB SER A 537 32.793 7.896 2.883 1.00 20.38 C ATOM 2093 OG SER A 537 31.526 7.962 3.507 1.00 19.13 O ATOM 2094 HG SER A 537 30.817 7.897 2.819 1.00 0.00 H ATOM 2095 H SER A 537 33.193 6.033 4.559 1.00 0.00 H ATOM 2096 N ASP A 538 33.962 10.408 4.298 1.00 20.47 N ATOM 2097 CA ASP A 538 33.700 11.617 5.063 1.00 22.88 C ATOM 2098 C ASP A 538 32.197 11.735 5.341 1.00 21.51 C ATOM 2099 O ASP A 538 31.797 12.090 6.447 1.00 19.14 O ATOM 2100 CB ASP A 538 34.228 12.857 4.333 1.00 26.72 C ATOM 2101 CG ASP A 538 35.748 12.888 4.265 1.00 33.69 C ATOM 2102 OD1 ASP A 538 36.401 12.378 5.200 1.00 31.15 O ATOM 2103 OD2 ASP A 538 36.294 13.422 3.275 1.00 36.96 O ATOM 2104 H ASP A 538 34.413 10.464 3.363 1.00 0.00 H ATOM 2105 N LEU A 539 31.369 11.395 4.355 1.00 20.84 N ATOM 2106 CA LEU A 539 29.920 11.462 4.539 1.00 22.87 C ATOM 2107 C LEU A 539 29.459 10.541 5.664 1.00 21.63 C ATOM 2108 O LEU A 539 28.727 10.964 6.561 1.00 18.83 O ATOM 2109 CB LEU A 539 29.187 11.103 3.239 1.00 21.93 C ATOM 2110 CG LEU A 539 27.657 11.161 3.316 1.00 24.03 C ATOM 2111 CD1 LEU A 539 27.177 12.545 3.751 1.00 25.05 C ATOM 2112 CD2 LEU A 539 27.019 10.742 1.997 1.00 25.71 C ATOM 2113 H LEU A 539 31.757 11.078 3.444 1.00 0.00 H ATOM 2114 N LEU A 540 29.902 9.286 5.630 1.00 16.84 N ATOM 2115 CA LEU A 540 29.510 8.344 6.670 1.00 14.33 C ATOM 2116 C LEU A 540 29.977 8.800 8.041 1.00 15.09 C ATOM 2117 O LEU A 540 29.259 8.636 9.020 1.00 17.25 O ATOM 2118 CB LEU A 540 30.057 6.943 6.379 1.00 18.02 C ATOM 2119 CG LEU A 540 29.112 6.009 5.632 1.00 20.30 C ATOM 2120 CD1 LEU A 540 29.749 4.637 5.446 1.00 17.91 C ATOM 2121 CD2 LEU A 540 27.787 5.915 6.372 1.00 18.96 C ATOM 2122 H LEU A 540 30.529 8.978 4.860 1.00 0.00 H ATOM 2123 N LEU A 541 31.183 9.364 8.112 1.00 16.38 N ATOM 2124 CA LEU A 541 31.693 9.874 9.382 1.00 18.21 C ATOM 2125 C LEU A 541 30.790 10.962 9.941 1.00 20.46 C ATOM 2126 O LEU A 541 30.551 11.018 11.143 1.00 19.80 O ATOM 2127 CB LEU A 541 33.117 10.411 9.226 1.00 20.37 C ATOM 2128 CG LEU A 541 34.198 9.340 9.089 1.00 21.55 C ATOM 2129 CD1 LEU A 541 35.538 9.947 8.647 1.00 21.33 C ATOM 2130 CD2 LEU A 541 34.325 8.550 10.392 1.00 20.57 C ATOM 2131 H LEU A 541 31.766 9.442 7.255 1.00 0.00 H ATOM 2132 N GLU A 542 30.286 11.825 9.068 1.00 19.41 N ATOM 2133 CA GLU A 542 29.451 12.913 9.567 1.00 18.45 C ATOM 2134 C GLU A 542 28.057 12.410 9.903 1.00 17.95 C ATOM 2135 O GLU A 542 27.468 12.868 10.882 1.00 19.02 O ATOM 2136 CB GLU A 542 29.404 14.071 8.561 1.00 19.13 C ATOM 2137 CG GLU A 542 30.738 14.813 8.494 1.00 21.81 C ATOM 2138 CD GLU A 542 30.694 16.167 7.800 1.00 25.98 C ATOM 2139 OE1 GLU A 542 29.611 16.605 7.364 1.00 24.78 O ATOM 2140 OE2 GLU A 542 31.767 16.799 7.697 1.00 29.11 O ATOM 2141 H GLU A 542 30.482 11.728 8.051 1.00 0.00 H ATOM 2142 N MET A 543 27.533 11.457 9.128 1.00 18.16 N ATOM 2143 CA MET A 543 26.214 10.887 9.403 1.00 20.56 C ATOM 2144 C MET A 543 26.238 10.147 10.735 1.00 24.48 C ATOM 2145 O MET A 543 25.292 10.205 11.519 1.00 24.66 O ATOM 2146 CB MET A 543 25.767 9.931 8.283 1.00 20.10 C ATOM 2147 CG MET A 543 25.637 10.560 6.891 1.00 24.93 C ATOM 2148 SD MET A 543 24.424 11.896 6.769 1.00 30.79 S ATOM 2149 CE MET A 543 22.878 11.017 6.498 1.00 17.56 C ATOM 2150 H MET A 543 28.075 11.112 8.310 1.00 0.00 H ATOM 2151 N LEU A 544 27.346 9.459 10.987 1.00 23.98 N ATOM 2152 CA LEU A 544 27.524 8.714 12.221 1.00 23.51 C ATOM 2153 C LEU A 544 27.696 9.678 13.396 1.00 25.10 C ATOM 2154 O LEU A 544 27.133 9.469 14.474 1.00 26.19 O ATOM 2155 CB LEU A 544 28.737 7.795 12.085 1.00 23.22 C ATOM 2156 CG LEU A 544 29.145 6.919 13.256 1.00 22.10 C ATOM 2157 CD1 LEU A 544 27.986 6.028 13.638 1.00 18.85 C ATOM 2158 CD2 LEU A 544 30.354 6.112 12.836 1.00 19.03 C ATOM 2159 H LEU A 544 28.109 9.454 10.280 1.00 0.00 H ATOM 2160 N ASP A 545 28.464 10.736 13.173 1.00 24.41 N ATOM 2161 CA ASP A 545 28.762 11.734 14.203 1.00 26.22 C ATOM 2162 C ASP A 545 27.521 12.488 14.694 1.00 24.78 C ATOM 2163 O ASP A 545 27.486 12.954 15.836 1.00 24.85 O ATOM 2164 CB ASP A 545 29.800 12.730 13.676 1.00 31.66 C ATOM 2165 CG ASP A 545 30.114 13.831 14.668 1.00 36.04 C ATOM 2166 OD1 ASP A 545 30.819 13.553 15.660 1.00 37.39 O ATOM 2167 OD2 ASP A 545 29.669 14.978 14.451 1.00 36.94 O ATOM 2168 H ASP A 545 28.873 10.863 12.225 1.00 0.00 H ATOM 2169 N ALA A 546 26.509 12.601 13.826 1.00 22.55 N ATOM 2170 CA ALA A 546 25.237 13.232 14.157 1.00 22.52 C ATOM 2171 C ALA A 546 24.538 12.531 15.314 1.00 22.74 C ATOM 2172 O ALA A 546 23.686 13.122 15.993 1.00 24.67 O ATOM 2173 CB ALA A 546 24.333 13.229 12.932 1.00 19.67 C ATOM 2174 H ALA A 546 26.636 12.220 12.867 1.00 0.00 H ATOM 2175 N HIS A 547 24.895 11.271 15.520 1.00 19.36 N ATOM 2176 CA HIS A 547 24.266 10.446 16.538 1.00 22.92 C ATOM 2177 C HIS A 547 25.037 10.477 17.849 1.00 32.54 C ATOM 2178 O HIS A 547 24.593 9.905 18.840 1.00 28.50 O ATOM 2179 CB HIS A 547 24.090 9.024 16.015 1.00 20.69 C ATOM 2180 CG HIS A 547 22.946 8.918 15.061 1.00 19.62 C ATOM 2181 ND1 HIS A 547 21.682 8.549 15.469 1.00 20.65 N ATOM 2182 CD2 HIS A 547 22.846 9.236 13.745 1.00 16.00 C ATOM 2183 CE1 HIS A 547 20.862 8.602 14.431 1.00 18.96 C ATOM 2184 NE2 HIS A 547 21.543 9.009 13.377 1.00 16.83 N ATOM 2185 H HIS A 547 25.649 10.860 14.934 1.00 0.00 H ATOM 2186 N ARG A 548 26.176 11.170 17.828 1.00 27.89 N ATOM 2187 CA ARG A 548 26.886 11.606 19.034 1.00 40.33 C ATOM 2188 C ARG A 548 27.039 10.505 20.071 1.00 42.39 C ATOM 2189 O ARG A 548 27.381 9.376 19.728 1.00 43.09 O ATOM 2190 CB ARG A 548 26.173 12.815 19.654 1.00 48.67 C ATOM 2191 CG ARG A 548 26.517 14.157 18.998 1.00 58.89 C ATOM 2192 CD ARG A 548 25.260 14.959 18.672 1.00 69.48 C ATOM 2193 NE ARG A 548 25.527 16.373 18.410 1.00 78.60 N ATOM 2194 CZ ARG A 548 25.651 17.299 19.358 1.00 85.35 C ATOM 2195 NH1 ARG A 548 25.552 16.959 20.635 1.00 87.42 N ATOM 2196 NH2 ARG A 548 25.883 18.564 19.031 1.00 87.26 N ATOM 2197 HE ARG A 548 25.626 16.674 17.420 1.00 0.00 H ATOM 2198 HH12 ARG A 548 25.649 17.683 21.375 1.00 0.00 H ATOM 2199 HH11 ARG A 548 25.377 15.968 20.897 1.00 0.00 H ATOM 2200 HH22 ARG A 548 25.979 19.284 19.775 1.00 0.00 H ATOM 2201 HH21 ARG A 548 25.969 18.835 18.031 1.00 0.00 H ATOM 2202 H ARG A 548 26.584 11.415 16.903 1.00 0.00 H TER 2203 ARG A 548 HETATM 2204 O HOH 1 35.439 -0.220 1.344 1.00 40.42 O HETATM 2205 O HOH 2 21.159 15.774 13.357 1.00 28.12 O HETATM 2206 O HOH 3 33.006 -1.850 -2.260 1.00 37.33 O HETATM 2207 O HOH 4 27.395 16.124 6.621 1.00 20.36 O HETATM 2208 O HOH 5 23.164 -20.297 11.796 1.00 36.57 O HETATM 2209 O HOH 6 34.718 -2.598 -0.478 1.00 29.12 O HETATM 2210 O HOH 7 29.527 9.004 20.917 1.00 33.35 O HETATM 2211 O HOH 8 6.325 12.057 -10.236 1.00 47.49 O HETATM 2212 O HOH 9 9.114 6.611 0.219 1.00 19.49 O HETATM 2213 O HOH 10 -6.919 9.262 7.737 1.00 23.13 O HETATM 2214 O HOH 11 11.045 4.654 13.293 1.00 16.05 O HETATM 2215 O HOH 12 18.318 16.476 -6.251 1.00 31.52 O HETATM 2216 O HOH 13 -3.830 17.070 9.036 1.00 27.78 O HETATM 2217 O HOH 14 -4.983 15.062 5.280 1.00 34.03 O HETATM 2218 O HOH 15 7.849 14.453 -5.849 1.00 33.89 O HETATM 2219 O HOH 16 20.012 -16.781 7.565 1.00 22.80 O HETATM 2220 O HOH 17 31.980 10.090 13.325 1.00 34.82 O HETATM 2221 O HOH 18 36.077 -2.775 -2.839 1.00 36.11 O HETATM 2222 O HOH 19 15.906 25.878 10.229 1.00 34.07 O HETATM 2223 O HOH 20 -12.905 -6.215 13.253 1.00 41.84 O HETATM 2224 O HOH 21 24.999 -2.782 18.405 1.00 23.09 O HETATM 2225 O HOH 22 33.640 -14.428 -0.734 1.00 19.78 O HETATM 2226 O HOH 23 -2.741 16.776 6.049 1.00 31.45 O HETATM 2227 O HOH 24 -6.460 -7.543 11.060 1.00 28.24 O HETATM 2228 O HOH 25 5.058 12.151 14.744 1.00 33.33 O HETATM 2229 O HOH 26 -7.886 7.883 3.564 1.00 29.91 O HETATM 2230 O HOH 27 37.216 -10.337 0.918 1.00 29.40 O HETATM 2231 O HOH 28 27.205 15.418 11.462 1.00 28.80 O HETATM 2232 O HOH 29 15.789 -13.838 12.761 1.00 26.45 O HETATM 2233 O HOH 30 14.887 9.651 -6.525 1.00 25.97 O HETATM 2234 O HOH 31 24.262 -16.456 1.152 1.00 33.82 O HETATM 2235 O HOH 32 9.646 6.487 -2.558 1.00 15.21 O HETATM 2236 O HOH 33 18.830 5.496 14.833 1.00 16.45 O HETATM 2237 O HOH 34 39.247 -14.259 5.676 1.00 35.64 O HETATM 2238 O HOH 35 14.901 5.835 -0.584 1.00 16.37 O HETATM 2239 O HOH 36 28.461 9.098 16.746 1.00 37.01 O HETATM 2240 O HOH 37 -1.795 16.929 12.615 1.00 32.84 O HETATM 2241 O HOH 38 1.660 9.217 9.012 1.00 18.92 O HETATM 2242 O HOH 39 39.729 5.368 13.871 1.00 25.19 O HETATM 2243 O HOH 40 13.924 1.181 -4.722 1.00 37.53 O HETATM 2244 O HOH 41 30.214 -9.525 -7.438 1.00 30.11 O HETATM 2245 O HOH 42 5.875 2.869 15.891 1.00 16.63 O HETATM 2246 O HOH 43 -10.282 -7.933 11.810 1.00 43.02 O HETATM 2247 O HOH 44 4.554 -7.729 -1.814 1.00 41.19 O HETATM 2248 O HOH 45 -4.317 -0.696 -2.951 1.00 27.91 O HETATM 2249 O HOH 46 18.873 2.450 -1.661 1.00 18.40 O HETATM 2250 O HOH 47 25.900 -5.991 17.999 1.00 37.45 O HETATM 2251 O HOH 48 -13.490 -6.939 9.620 1.00 31.97 O HETATM 2252 O HOH 49 31.304 15.881 12.524 1.00 38.50 O HETATM 2253 O HOH 50 -1.518 10.775 11.021 1.00 14.93 O HETATM 2254 O HOH 51 8.176 12.081 -7.443 1.00 29.48 O HETATM 2255 O HOH 52 34.201 2.018 3.540 1.00 33.25 O HETATM 2256 O HOH 53 17.288 20.485 -0.756 1.00 17.83 O HETATM 2257 O HOH 54 18.732 0.386 1.210 1.00 11.45 O HETATM 2258 O HOH 55 23.283 15.761 15.597 1.00 34.44 O HETATM 2259 O HOH 56 28.559 -11.773 14.459 1.00 17.67 O HETATM 2260 O HOH 57 18.842 6.170 11.218 1.00 9.72 O HETATM 2261 O HOH 58 -8.380 5.570 -6.469 1.00 50.02 O HETATM 2262 O HOH 59 23.883 -13.063 -5.922 1.00 37.91 O HETATM 2263 O HOH 60 20.440 -13.117 17.586 1.00 34.15 O HETATM 2264 O HOH 61 14.854 -12.214 4.416 1.00 19.22 O HETATM 2265 O HOH 62 -11.226 -8.500 3.722 1.00 35.20 O HETATM 2266 O HOH 63 40.587 -8.879 3.770 1.00 37.46 O HETATM 2267 O HOH 64 -11.454 1.882 11.098 1.00 16.23 O HETATM 2268 O HOH 65 27.514 -12.730 -5.709 1.00 43.65 O HETATM 2269 O HOH 66 15.042 25.165 2.136 1.00 25.14 O HETATM 2270 O HOH 67 21.556 6.313 17.044 1.00 23.86 O HETATM 2271 O HOH 68 14.965 23.755 -0.183 1.00 24.03 O HETATM 2272 O HOH 69 31.529 6.322 -3.258 1.00 37.44 O HETATM 2273 O HOH 70 -9.877 -9.664 9.687 1.00 38.36 O HETATM 2274 O HOH 71 21.248 -2.760 -3.472 1.00 17.92 O HETATM 2275 O HOH 72 12.421 18.158 -5.594 1.00 32.33 O HETATM 2276 O HOH 73 35.363 10.480 1.927 1.00 31.54 O HETATM 2277 O HOH 74 17.716 -15.427 11.885 1.00 27.50 O HETATM 2278 O HOH 75 -11.549 4.237 5.109 1.00 33.46 O HETATM 2279 O HOH 76 15.984 15.040 -6.358 1.00 22.88 O HETATM 2280 O HOH 77 -15.980 -2.098 6.085 1.00 23.79 O HETATM 2281 O HOH 78 10.169 17.695 -1.589 1.00 18.27 O HETATM 2282 O HOH 79 19.507 -3.167 -10.066 1.00 32.89 O HETATM 2283 O HOH 80 28.318 -11.340 17.199 1.00 30.44 O HETATM 2284 O HOH 81 30.023 -2.554 -1.986 1.00 15.81 O HETATM 2285 O HOH 82 34.388 -7.371 -7.577 1.00 47.30 O HETATM 2286 O HOH 83 9.999 6.973 12.336 1.00 17.08 O HETATM 2287 O HOH 84 -6.443 13.127 2.051 1.00 39.14 O HETATM 2288 O HOH 85 38.253 3.809 11.522 1.00 26.05 O HETATM 2289 O HOH 86 29.498 1.349 19.979 1.00 22.82 O HETATM 2290 O HOH 87 19.283 -10.371 17.596 1.00 33.81 O HETATM 2291 O HOH 88 16.707 7.127 14.118 1.00 12.92 O HETATM 2292 O HOH 89 14.474 -7.672 -4.296 1.00 37.54 O HETATM 2293 O HOH 90 11.685 23.858 8.038 1.00 25.63 O HETATM 2294 O HOH 91 15.949 -17.893 0.262 1.00 36.40 O HETATM 2295 O HOH 92 32.725 4.526 3.600 1.00 24.51 O HETATM 2296 O HOH 93 35.708 -4.805 0.833 1.00 18.79 O HETATM 2297 O HOH 94 21.334 29.086 10.658 1.00 34.34 O HETATM 2298 O HOH 95 4.811 24.282 10.268 1.00 56.24 O HETATM 2299 O HOH 96 14.624 1.743 -0.419 1.00 11.90 O HETATM 2300 O HOH 97 30.596 -14.179 15.046 1.00 50.10 O HETATM 2301 O HOH 98 29.867 8.245 -3.312 1.00 32.63 O HETATM 2302 O HOH 99 22.404 4.284 18.422 1.00 28.74 O HETATM 2303 O HOH 100 41.257 1.897 16.931 1.00 19.47 O HETATM 2304 O HOH 101 4.986 -8.062 14.785 1.00 43.10 O HETATM 2305 O HOH 102 10.235 -7.325 -2.197 1.00 31.87 O HETATM 2306 O HOH 103 -7.309 11.680 -1.983 1.00 40.62 O HETATM 2307 O HOH 104 16.831 -0.934 -9.704 1.00 31.73 O HETATM 2308 O HOH 105 -12.699 -2.069 1.216 1.00 33.74 O HETATM 2309 O HOH 106 25.784 14.545 8.223 1.00 20.13 O HETATM 2310 O HOH 107 17.780 0.763 -3.398 1.00 18.91 O HETATM 2311 O HOH 108 15.648 6.776 -9.284 1.00 37.84 O HETATM 2312 O HOH 109 13.991 11.812 10.460 1.00 11.67 O HETATM 2313 O HOH 110 -1.183 5.899 -7.975 1.00 36.97 O HETATM 2314 O HOH 111 -0.802 -3.544 -4.068 1.00 47.11 O HETATM 2315 O HOH 112 32.203 11.364 1.661 1.00 28.28 O HETATM 2316 O HOH 113 2.045 12.719 -8.417 1.00 37.55 O HETATM 2317 O HOH 114 30.524 -16.630 2.231 1.00 25.68 O HETATM 2318 O HOH 115 38.369 -11.580 9.528 1.00 24.11 O HETATM 2319 O HOH 116 8.953 2.437 -7.923 1.00 29.97 O HETATM 2320 O HOH 117 19.070 5.199 -1.690 1.00 14.71 O HETATM 2321 O HOH 118 -1.874 7.777 -10.617 1.00 45.30 O HETATM 2322 O HOH 119 12.221 4.694 -9.708 1.00 39.95 O HETATM 2323 O HOH 120 -17.371 -5.737 15.270 1.00 38.79 O HETATM 2324 O HOH 121 -2.996 -2.765 1.229 1.00 27.74 O HETATM 2325 O HOH 122 25.359 5.648 -8.097 1.00 20.11 O HETATM 2326 O HOH 123 31.282 4.041 -1.852 1.00 26.23 O HETATM 2327 O HOH 124 33.143 -12.516 14.430 1.00 39.15 O HETATM 2328 O HOH 125 -5.914 -6.079 8.676 1.00 21.19 O HETATM 2329 O HOH 126 5.174 6.856 -13.481 1.00 64.51 O HETATM 2330 O HOH 127 3.937 -4.956 -4.252 1.00 30.16 O HETATM 2331 O HOH 128 20.314 -0.384 -3.170 1.00 18.44 O HETATM 2332 O HOH 129 -15.057 -3.629 9.448 1.00 16.83 O HETATM 2333 O HOH 130 26.097 6.801 -5.697 1.00 18.09 O HETATM 2334 O HOH 131 35.969 -5.545 -3.455 1.00 29.42 O HETATM 2335 O HOH 132 11.777 -9.281 -2.362 1.00 32.80 O HETATM 2336 O HOH 133 3.393 -5.388 13.569 1.00 24.08 O HETATM 2337 O HOH 134 16.723 2.396 1.275 1.00 14.09 O HETATM 2338 O HOH 135 -6.924 9.370 -4.617 1.00 33.08 O HETATM 2339 O HOH 136 35.246 -11.395 -0.927 1.00 35.16 O HETATM 2340 O HOH 137 -9.617 3.875 -1.530 1.00 33.06 O HETATM 2341 O HOH 138 37.947 7.412 14.694 1.00 29.76 O HETATM 2342 O HOH 139 22.818 22.141 8.661 1.00 19.53 O HETATM 2343 O HOH 140 13.025 13.266 16.998 1.00 26.18 O HETATM 2344 O HOH 141 18.685 8.882 -7.822 1.00 37.53 O HETATM 2345 O HOH 142 38.255 7.032 7.258 1.00 29.15 O HETATM 2346 O HOH 143 23.313 -9.759 -10.972 1.00 43.22 O HETATM 2347 O HOH 144 -3.149 -6.895 7.927 1.00 23.45 O HETATM 2348 O HOH 145 -13.789 1.424 3.517 1.00 28.93 O HETATM 2349 O HOH 146 33.308 4.503 0.046 1.00 31.86 O HETATM 2350 O HOH 147 1.058 14.139 12.047 1.00 27.98 O HETATM 2351 O HOH 148 20.709 9.622 18.071 1.00 32.14 O HETATM 2352 O HOH 149 39.407 -8.615 9.160 1.00 19.05 O HETATM 2353 O HOH 150 3.900 -12.471 11.799 1.00 44.08 O HETATM 2354 O HOH 151 36.278 -6.298 15.697 1.00 32.92 O HETATM 2355 O HOH 152 42.884 -1.962 15.504 1.00 24.61 O HETATM 2356 O HOH 153 15.655 -0.699 -1.989 1.00 29.26 O HETATM 2357 O HOH 154 14.594 -10.151 -5.768 1.00 39.98 O HETATM 2358 O HOH 155 11.920 -16.963 7.565 1.00 47.17 O HETATM 2359 O HOH 156 34.718 9.176 18.153 1.00 51.22 O HETATM 2360 O HOH 157 18.568 -6.009 20.759 1.00 37.04 O HETATM 2361 O HOH 158 34.460 -8.762 -1.475 1.00 30.75 O HETATM 2362 O HOH 159 -0.654 -9.081 13.058 1.00 35.06 O HETATM 2363 O HOH 160 -4.761 -9.080 11.278 1.00 39.45 O HETATM 2364 O HOH 161 17.136 8.590 -6.130 1.00 31.34 O HETATM 2365 O HOH 162 31.539 -4.884 17.559 1.00 42.37 O HETATM 2366 O HOH 163 38.832 4.127 19.982 1.00 31.66 O HETATM 2367 O HOH 164 36.922 -0.304 21.113 1.00 50.12 O HETATM 2368 O HOH 165 0.605 4.724 -8.837 1.00 45.74 O HETATM 2369 O HOH 166 4.579 -11.767 0.722 1.00 43.49 O HETATM 2370 O HOH 167 19.982 -11.635 -7.185 1.00 43.40 O HETATM 2371 O HOH 168 13.779 -13.889 6.281 1.00 25.98 O HETATM 2372 O HOH 169 36.451 -16.256 6.679 1.00 45.64 O HETATM 2373 O HOH 170 -12.667 -4.889 14.969 1.00 34.15 O HETATM 2374 O HOH 171 0.321 1.788 -7.940 1.00 43.00 O HETATM 2375 O HOH 172 30.006 -1.092 -7.234 1.00 35.33 O HETATM 2376 O HOH 173 26.454 2.707 -8.029 1.00 9.80 O HETATM 2377 O HOH 174 40.381 -9.414 -7.381 1.00 40.07 O HETATM 2378 O HOH 175 36.566 10.839 15.651 1.00 39.01 O HETATM 2379 O HOH 176 32.840 13.680 11.362 1.00 37.43 O HETATM 2380 O HOH 177 7.817 19.144 -2.395 1.00 35.86 O HETATM 2381 O HOH 178 31.225 9.615 15.679 1.00 35.71 O HETATM 2382 O HOH 179 42.441 -13.423 0.472 1.00 42.13 O HETATM 2383 O HOH 180 -4.209 16.805 13.181 1.00 44.54 O HETATM 2384 O HOH 181 35.780 -3.572 22.726 1.00 50.71 O HETATM 2385 O HOH 182 37.381 5.873 9.948 1.00 32.76 O HETATM 2386 O HOH 183 -1.921 -9.351 7.339 1.00 41.55 O HETATM 2387 O HOH 184 -2.509 -7.200 -1.370 1.00 48.10 O HETATM 2388 O HOH 185 13.385 -14.984 11.109 1.00 38.69 O HETATM 2389 O HOH 186 23.687 28.708 10.942 1.00 42.31 O HETATM 2390 O HOH 187 7.373 -7.986 -2.712 1.00 37.24 O HETATM 2391 O HOH 188 35.771 11.124 13.151 1.00 46.98 O HETATM 2392 O HOH 189 29.359 -2.723 -9.356 1.00 26.84 O HETATM 2393 O HOH 190 0.792 -5.600 15.259 1.00 28.27 O HETATM 2394 O HOH 191 1.212 10.448 11.556 1.00 17.93 O HETATM 2395 O HOH 192 -2.384 -2.092 -5.939 1.00 43.75 O HETATM 2396 O HOH 193 12.913 -5.050 -4.638 1.00 33.80 O HETATM 2397 O HOH 194 -13.597 -10.031 5.331 1.00 38.59 O HETATM 2398 O HOH 195 30.142 10.612 -2.235 1.00 43.78 O HETATM 2399 O HOH 196 16.021 3.815 -11.245 1.00 45.94 O HETATM 2400 O HOH 197 11.089 -15.148 12.217 1.00 50.83 O HETATM 2401 O HOH 198 14.586 -0.448 -9.331 1.00 42.46 O HETATM 2402 O HOH 199 -15.574 -0.700 3.801 1.00 32.06 O HETATM 2403 O HOH 200 16.095 19.061 -7.694 1.00 46.53 O HETATM 2404 O HOH 201 41.713 -9.269 8.251 1.00 38.69 O HETATM 2405 O HOH 202 16.555 13.799 -8.909 1.00 38.80 O HETATM 2406 O HOH 203 16.512 22.720 -1.748 1.00 39.43 O HETATM 2407 O HOH 204 37.863 8.577 11.894 1.00 32.54 O HETATM 2408 O HOH 205 14.207 17.290 -6.951 1.00 33.06 O HETATM 2409 O HOH 206 -7.426 11.029 1.167 1.00 41.13 O HETATM 2410 O HOH 207 39.980 -4.573 3.140 1.00 43.37 O HETATM 2411 O HOH 208 23.510 -5.450 18.831 1.00 40.73 O HETATM 2412 O HOH 209 38.112 -3.769 1.739 1.00 40.20 O HETATM 2413 O HOH 210 39.842 -13.344 8.286 1.00 36.00 O HETATM 2414 O HOH 211 36.209 -6.722 -1.213 1.00 28.83 O HETATM 2415 O HOH 212 17.845 -16.960 9.790 1.00 36.21 O HETATM 2416 O HOH 213 40.157 -7.161 1.497 1.00 47.46 O HETATM 2417 O HOH 214 17.310 5.053 0.380 1.00 14.97 O HETATM 2418 O HOH 215 6.686 1.745 -9.984 1.00 43.69 O HETATM 2419 O HOH 216 39.748 -17.124 5.363 1.00 44.63 O HETATM 2420 O HOH 217 2.524 -16.752 6.744 1.00 51.62 O HETATM 2421 O HOH 218 17.411 -6.943 -6.643 1.00 39.19 O HETATM 2422 O HOH 219 18.130 -9.557 -7.416 1.00 31.06 O HETATM 2423 O HOH 220 31.525 -6.632 -10.593 1.00 51.21 O HETATM 2424 O HOH 221 -13.701 -12.634 6.183 1.00 63.53 O HETATM 2425 O HOH 222 41.356 -15.417 9.500 1.00 51.93 O HETATM 2426 O HOH 223 20.356 24.564 -4.518 1.00 28.46 O HETATM 2427 O HOH 224 21.992 26.567 -3.327 1.00 18.75 O HETATM 2428 O HOH 225 25.707 26.351 1.072 1.00 28.85 O HETATM 2429 O HOH 226 26.734 30.537 7.771 1.00 34.15 O HETATM 2430 O HOH 227 28.724 22.889 3.896 1.00 32.12 O HETATM 2431 O HOH 228 30.117 24.628 0.296 1.00 31.14 O HETATM 2432 O HOH 229 26.834 24.353 2.544 1.00 23.36 O HETATM 2433 O HOH 230 24.419 25.922 -4.435 1.00 39.05 O HETATM 2434 O HOH 231 17.883 23.577 -3.967 1.00 29.17 O HETATM 2435 O HOH 232 31.571 20.376 0.309 1.00 33.36 O HETATM 2436 O HOH 233 30.893 22.560 1.826 1.00 30.74 O HETATM 2437 N HIS A 234 29.694 24.497 7.699 1.00 0.24 N HETATM 2438 CA HIS A 234 28.459 23.713 7.553 1.00 0.08 C HETATM 2439 C HIS A 234 28.783 22.247 7.138 1.00 0.23 C HETATM 2440 O HIS A 234 29.799 21.937 6.550 1.00 -0.39 O HETATM 2441 N HIS A 234 27.933 21.328 7.569 1.00 -0.26 N HETATM 2442 CA HIS A 234 28.086 19.912 7.288 1.00 0.13 C HETATM 2443 C HIS A 234 28.106 19.662 5.772 1.00 0.20 C HETATM 2444 O HIS A 234 27.518 20.365 4.985 1.00 -0.39 O HETATM 2445 N HIS A 234 28.776 18.590 5.433 1.00 -0.27 N HETATM 2446 CA HIS A 234 28.877 18.227 4.044 1.00 0.13 C HETATM 2447 CB1 HIS A 234 29.573 19.350 3.293 1.00 -0.03 C HETATM 2448 H24 HIS A 234 29.656 19.083 2.229 1.00 0.02 H HETATM 2449 H25 HIS A 234 30.578 19.503 3.712 1.00 0.02 H HETATM 2450 H26 HIS A 234 28.988 20.276 3.394 1.00 0.02 H HETATM 2451 CB2 HIS A 234 29.720 16.949 3.966 1.00 -0.02 C HETATM 2452 CG HIS A 234 29.437 16.078 2.764 1.00 -0.05 C HETATM 2453 CD HIS A 234 30.563 15.159 2.292 1.00 -0.05 C HETATM 2454 CE HIS A 234 31.443 14.741 3.435 1.00 -0.06 C HETATM 2455 CZ HIS A 234 32.345 15.831 3.915 1.00 -0.07 C HETATM 2456 H35 HIS A 234 32.959 15.459 4.749 1.00 0.02 H HETATM 2457 H36 HIS A 234 31.740 16.684 4.257 1.00 0.02 H HETATM 2458 H37 HIS A 234 33.001 16.153 3.093 1.00 0.02 H HETATM 2459 H33 HIS A 234 32.063 13.894 3.107 1.00 0.03 H HETATM 2460 H34 HIS A 234 30.802 14.424 4.271 1.00 0.03 H HETATM 2461 H31 HIS A 234 31.172 15.692 1.548 1.00 0.03 H HETATM 2462 H32 HIS A 234 30.124 14.262 1.832 1.00 0.03 H HETATM 2463 H29 HIS A 234 29.178 16.742 1.927 1.00 0.03 H HETATM 2464 H30 HIS A 234 28.573 15.444 3.010 1.00 0.03 H HETATM 2465 H27 HIS A 234 29.527 16.356 4.872 1.00 0.03 H HETATM 2466 H28 HIS A 234 30.781 17.239 3.937 1.00 0.03 H HETATM 2467 C HIS A 234 27.464 18.019 3.437 1.00 0.23 C HETATM 2468 O HIS A 234 27.210 18.407 2.335 1.00 -0.34 O HETATM 2469 N HIS A 234 26.598 17.397 4.179 1.00 -0.26 N HETATM 2470 CA HIS A 234 25.221 17.147 3.761 1.00 0.13 C HETATM 2471 C HIS A 234 24.500 18.443 3.389 1.00 0.20 C HETATM 2472 O HIS A 234 23.733 18.424 2.458 1.00 -0.39 O HETATM 2473 N HIS A 234 24.755 19.514 4.134 1.00 -0.26 N HETATM 2474 CA HIS A 234 24.108 20.812 3.905 1.00 0.14 C HETATM 2475 C HIS A 234 24.351 21.298 2.444 1.00 0.21 C HETATM 2476 O HIS A 234 23.478 21.806 1.775 1.00 -0.39 O HETATM 2477 N HIS A 234 25.594 21.121 2.058 1.00 -0.26 N HETATM 2478 CA HIS A 234 26.045 21.445 0.708 1.00 0.13 C HETATM 2479 C HIS A 234 25.462 20.434 -0.289 1.00 0.20 C HETATM 2480 O HIS A 234 24.909 20.837 -1.245 1.00 -0.39 O HETATM 2481 N HIS A 234 25.622 19.155 -0.006 1.00 -0.27 N HETATM 2482 CA HIS A 234 25.109 18.158 -0.976 1.00 0.13 C HETATM 2483 CB1 HIS A 234 25.893 18.302 -2.262 1.00 -0.03 C HETATM 2484 H70 HIS A 234 25.528 17.570 -2.998 1.00 0.02 H HETATM 2485 H71 HIS A 234 26.960 18.122 -2.063 1.00 0.02 H HETATM 2486 H72 HIS A 234 25.761 19.319 -2.660 1.00 0.02 H HETATM 2487 CB2 HIS A 234 25.258 16.769 -0.475 1.00 -0.02 C HETATM 2488 CG HIS A 234 26.653 16.445 -0.078 1.00 -0.05 C HETATM 2489 CD HIS A 234 26.980 14.957 -0.125 1.00 -0.05 C HETATM 2490 CE HIS A 234 25.857 14.101 0.302 1.00 -0.06 C HETATM 2491 CZ HIS A 234 25.514 12.936 -0.595 1.00 -0.07 C HETATM 2492 H81 HIS A 234 24.666 12.382 -0.168 1.00 0.02 H HETATM 2493 H82 HIS A 234 26.384 12.268 -0.678 1.00 0.02 H HETATM 2494 H83 HIS A 234 25.242 13.309 -1.593 1.00 0.02 H HETATM 2495 H79 HIS A 234 24.963 14.737 0.379 1.00 0.03 H HETATM 2496 H80 HIS A 234 26.105 13.696 1.294 1.00 0.03 H HETATM 2497 H77 HIS A 234 27.837 14.766 0.538 1.00 0.03 H HETATM 2498 H78 HIS A 234 27.249 14.691 -1.158 1.00 0.03 H HETATM 2499 H75 HIS A 234 26.812 16.802 0.950 1.00 0.03 H HETATM 2500 H76 HIS A 234 27.338 16.971 -0.759 1.00 0.03 H HETATM 2501 H73 HIS A 234 24.949 16.074 -1.270 1.00 0.03 H HETATM 2502 H74 HIS A 234 24.605 16.639 0.400 1.00 0.03 H HETATM 2503 C HIS A 234 23.627 18.319 -1.286 1.00 0.23 C HETATM 2504 O HIS A 234 23.204 18.032 -2.355 1.00 -0.34 O HETATM 2505 N HIS A 234 22.849 18.710 -0.319 1.00 -0.26 N HETATM 2506 CA HIS A 234 21.408 18.884 -0.523 1.00 0.13 C HETATM 2507 C HIS A 234 21.068 19.984 -1.560 1.00 0.20 C HETATM 2508 O HIS A 234 19.978 20.062 -2.021 1.00 -0.39 O HETATM 2509 N HIS A 234 21.999 20.849 -1.809 1.00 -0.26 N HETATM 2510 CA HIS A 234 21.749 21.979 -2.731 1.00 0.13 C HETATM 2511 C HIS A 234 22.014 21.685 -4.240 1.00 0.20 C HETATM 2512 O HIS A 234 21.614 22.390 -5.128 1.00 -0.39 O HETATM 2513 N HIS A 234 22.787 20.673 -4.476 1.00 -0.26 N HETATM 2514 CA HIS A 234 23.141 20.271 -5.817 1.00 0.14 C HETATM 2515 C HIS A 234 21.924 19.547 -6.353 1.00 0.21 C HETATM 2516 O HIS A 234 21.768 18.366 -6.294 1.00 -0.39 O HETATM 2517 N HIS A 234 20.965 20.326 -6.714 1.00 -0.27 N HETATM 2518 CA HIS A 234 19.702 19.834 -7.213 1.00 0.12 C HETATM 2519 CB HIS A 234 19.991 19.705 -8.660 1.00 0.20 C HETATM 2520 OG HIS A 234 19.689 20.624 -9.406 1.00 -0.40 O HETATM 2521 N HIS A 234 20.670 18.602 -8.981 1.00 -0.30 N HETATM 2522 H110 HIS A 234 20.913 18.424 -9.934 1.00 0.18 H HETATM 2523 H111 HIS A 234 20.935 17.953 -8.268 1.00 0.18 H HETATM 2524 H108 HIS A 234 18.889 20.551 -7.027 1.00 0.08 H HETATM 2525 H109 HIS A 234 19.443 18.863 -6.766 1.00 0.08 H HETATM 2526 H107 HIS A 234 21.100 21.314 -6.646 1.00 0.19 H HETATM 2527 CB HIS A 234 24.426 19.467 -5.827 1.00 0.04 C HETATM 2528 CG HIS A 234 25.668 20.226 -5.304 1.00 0.04 C HETATM 2529 OD1 HIS A 234 25.561 21.375 -4.813 1.00 -0.57 O HETATM 2530 OD2 HIS A 234 26.716 19.586 -5.329 1.00 -0.57 O HETATM 2531 H105 HIS A 234 24.627 19.154 -6.862 1.00 0.05 H HETATM 2532 H106 HIS A 234 24.278 18.577 -5.197 1.00 0.05 H HETATM 2533 H104 HIS A 234 23.311 21.167 -6.431 1.00 0.08 H HETATM 2534 H103 HIS A 234 23.151 20.152 -3.704 1.00 0.19 H HETATM 2535 CB HIS A 234 22.531 23.214 -2.265 1.00 0.00 C HETATM 2536 CG HIS A 234 22.060 23.700 -0.896 1.00 0.04 C HETATM 2537 CD HIS A 234 22.982 24.784 -0.342 1.00 0.17 C HETATM 2538 OE1 HIS A 234 23.718 24.580 0.594 1.00 -0.40 O HETATM 2539 NE2 HIS A 234 22.938 25.867 -0.952 1.00 -0.30 N HETATM 2540 H101 HIS A 234 23.510 26.632 -0.655 1.00 0.18 H HETATM 2541 H102 HIS A 234 22.330 25.973 -1.739 1.00 0.18 H HETATM 2542 H99 HIS A 234 22.049 22.849 -0.199 1.00 0.05 H HETATM 2543 H100 HIS A 234 21.044 24.109 -0.992 1.00 0.05 H HETATM 2544 H97 HIS A 234 22.390 24.022 -2.998 1.00 0.03 H HETATM 2545 H98 HIS A 234 23.599 22.957 -2.204 1.00 0.03 H HETATM 2546 H96 HIS A 234 20.679 22.218 -2.648 1.00 0.08 H HETATM 2547 H95 HIS A 234 22.895 20.753 -1.375 1.00 0.19 H HETATM 2548 CB HIS A 234 20.748 19.188 0.801 1.00 -0.01 C HETATM 2549 CG HIS A 234 20.524 17.940 1.654 1.00 -0.04 C HETATM 2550 CD1 HIS A 234 20.236 18.352 3.059 1.00 -0.06 C HETATM 2551 H89 HIS A 234 20.074 17.457 3.678 1.00 0.02 H HETATM 2552 H90 HIS A 234 19.333 18.980 3.079 1.00 0.02 H HETATM 2553 H91 HIS A 234 21.089 18.922 3.456 1.00 0.02 H HETATM 2554 CD2 HIS A 234 19.318 17.178 1.166 1.00 -0.06 C HETATM 2555 H92 HIS A 234 19.485 16.852 0.129 1.00 0.02 H HETATM 2556 H93 HIS A 234 18.432 17.828 1.208 1.00 0.02 H HETATM 2557 H94 HIS A 234 19.157 16.297 1.805 1.00 0.02 H HETATM 2558 H88 HIS A 234 21.418 17.300 1.617 1.00 0.03 H HETATM 2559 H86 HIS A 234 19.774 19.660 0.607 1.00 0.03 H HETATM 2560 H87 HIS A 234 21.389 19.885 1.361 1.00 0.03 H HETATM 2561 H85 HIS A 234 21.004 17.933 -0.901 1.00 0.08 H HETATM 2562 H84 HIS A 234 23.242 18.895 0.582 1.00 0.19 H HETATM 2563 H69 HIS A 234 26.076 18.867 0.837 1.00 0.18 H HETATM 2564 CB HIS A 234 27.554 21.518 0.560 1.00 -0.01 C HETATM 2565 CG HIS A 234 28.002 21.724 -0.887 1.00 -0.02 C HETATM 2566 CD HIS A 234 27.725 23.118 -1.424 1.00 0.06 C HETATM 2567 NE HIS A 234 27.878 23.136 -2.880 1.00 -0.27 N HETATM 2568 CZ HIS A 234 28.983 23.435 -3.528 1.00 0.29 C HETATM 2569 NH1 HIS A 234 30.082 23.726 -2.857 1.00 -0.28 N HETATM 2570 H65 HIS A 234 30.948 23.960 -3.363 1.00 0.26 H HETATM 2571 H66 HIS A 234 30.074 23.719 -1.827 1.00 0.26 H HETATM 2572 NH2 HIS A 234 29.030 23.389 -4.863 1.00 -0.28 N HETATM 2573 H67 HIS A 234 28.181 23.163 -5.401 1.00 0.26 H HETATM 2574 H68 HIS A 234 29.915 23.579 -5.354 1.00 0.26 H HETATM 2575 H64 HIS A 234 27.051 22.894 -3.444 1.00 0.26 H HETATM 2576 H62 HIS A 234 28.434 23.828 -0.975 1.00 0.07 H HETATM 2577 H63 HIS A 234 26.698 23.411 -1.163 1.00 0.07 H HETATM 2578 H60 HIS A 234 27.473 20.997 -1.520 1.00 0.03 H HETATM 2579 H61 HIS A 234 29.085 21.540 -0.944 1.00 0.03 H HETATM 2580 H58 HIS A 234 27.989 20.578 0.931 1.00 0.03 H HETATM 2581 H59 HIS A 234 27.925 22.358 1.165 1.00 0.03 H HETATM 2582 H57 HIS A 234 25.645 22.439 0.459 1.00 0.08 H HETATM 2583 H56 HIS A 234 26.254 20.751 2.712 1.00 0.19 H HETATM 2584 CB HIS A 234 24.627 21.813 4.885 1.00 0.04 C HETATM 2585 CG HIS A 234 23.994 23.179 4.753 1.00 0.06 C HETATM 2586 ND1 HIS A 234 22.948 23.602 5.389 1.00 -0.26 N HETATM 2587 CE1 HIS A 234 22.747 24.824 5.024 1.00 0.09 C HETATM 2588 NE2 HIS A 234 23.682 25.151 4.179 1.00 -0.34 N HETATM 2589 CD2 HIS A 234 24.458 24.131 4.013 1.00 -0.03 C HETATM 2590 H54 HIS A 234 25.336 24.083 3.371 1.00 0.03 H HETATM 2591 H55 HIS A 234 21.937 25.468 5.363 1.00 0.11 H HETATM 2592 H53 HIS A 234 22.382 23.064 6.061 1.00 0.24 H HETATM 2593 H51 HIS A 234 25.712 21.917 4.733 1.00 0.05 H HETATM 2594 H52 HIS A 234 24.433 21.437 5.901 1.00 0.05 H HETATM 2595 H50 HIS A 234 23.025 20.697 4.059 1.00 0.08 H HETATM 2596 H49 HIS A 234 25.415 19.432 4.881 1.00 0.19 H HETATM 2597 CB HIS A 234 24.524 16.467 4.907 1.00 -0.01 C HETATM 2598 CG HIS A 234 23.100 16.044 4.591 1.00 -0.04 C HETATM 2599 CD1 HIS A 234 23.013 15.293 3.275 1.00 -0.06 C HETATM 2600 H43 HIS A 234 21.968 15.006 3.085 1.00 0.02 H HETATM 2601 H44 HIS A 234 23.638 14.389 3.327 1.00 0.02 H HETATM 2602 H45 HIS A 234 23.370 15.939 2.460 1.00 0.02 H HETATM 2603 CD2 HIS A 234 22.576 15.207 5.719 1.00 -0.06 C HETATM 2604 H46 HIS A 234 22.650 15.772 6.660 1.00 0.02 H HETATM 2605 H47 HIS A 234 23.170 14.285 5.798 1.00 0.02 H HETATM 2606 H48 HIS A 234 21.524 14.950 5.527 1.00 0.02 H HETATM 2607 H42 HIS A 234 22.480 16.949 4.508 1.00 0.03 H HETATM 2608 H40 HIS A 234 24.499 17.162 5.760 1.00 0.03 H HETATM 2609 H41 HIS A 234 25.100 15.571 5.181 1.00 0.03 H HETATM 2610 H39 HIS A 234 25.223 16.482 2.885 1.00 0.08 H HETATM 2611 H38 HIS A 234 26.888 17.074 5.080 1.00 0.19 H HETATM 2612 H23 HIS A 234 29.215 18.027 6.134 1.00 0.18 H HETATM 2613 CB HIS A 234 26.889 19.196 7.821 1.00 -0.01 C HETATM 2614 CG HIS A 234 26.709 19.574 9.259 1.00 -0.04 C HETATM 2615 CD HIS A 234 25.758 18.673 9.913 1.00 -0.01 C HETATM 2616 CE HIS A 234 25.893 18.808 11.405 1.00 -0.04 C HETATM 2617 NZ HIS A 234 24.651 18.446 12.077 1.00 0.22 N HETATM 2618 H20 HIS A 234 24.767 18.545 13.073 1.00 0.20 H HETATM 2619 H21 HIS A 234 24.417 17.490 11.859 1.00 0.20 H HETATM 2620 H22 HIS A 234 23.910 19.053 11.763 1.00 0.20 H HETATM 2621 H18 HIS A 234 26.144 19.850 11.651 1.00 0.08 H HETATM 2622 H19 HIS A 234 26.698 18.145 11.755 1.00 0.08 H HETATM 2623 H16 HIS A 234 25.971 17.635 9.617 1.00 0.03 H HETATM 2624 H17 HIS A 234 24.734 18.937 9.611 1.00 0.03 H HETATM 2625 H14 HIS A 234 26.329 20.605 9.317 1.00 0.03 H HETATM 2626 H15 HIS A 234 27.679 19.511 9.774 1.00 0.03 H HETATM 2627 H12 HIS A 234 27.040 18.110 7.739 1.00 0.03 H HETATM 2628 H13 HIS A 234 25.997 19.486 7.247 1.00 0.03 H HETATM 2629 H11 HIS A 234 29.009 19.533 7.752 1.00 0.08 H HETATM 2630 H10 HIS A 234 27.148 21.623 8.114 1.00 0.19 H HETATM 2631 CB HIS A 234 27.521 24.393 6.560 1.00 0.06 C HETATM 2632 CG HIS A 234 26.839 25.649 7.096 1.00 0.06 C HETATM 2633 ND1 HIS A 234 25.982 25.700 8.094 1.00 -0.26 N HETATM 2634 CE1 HIS A 234 25.646 26.976 8.244 1.00 0.09 C HETATM 2635 NE2 HIS A 234 26.277 27.676 7.323 1.00 -0.34 N HETATM 2636 CD2 HIS A 234 27.021 26.849 6.620 1.00 -0.03 C HETATM 2637 H8 HIS A 234 27.672 27.119 5.790 1.00 0.03 H HETATM 2638 H9 HIS A 234 24.967 27.374 8.997 1.00 0.11 H HETATM 2639 H7 HIS A 234 25.639 24.904 8.651 1.00 0.24 H HETATM 2640 H5 HIS A 234 26.740 23.672 6.275 1.00 0.05 H HETATM 2641 H6 HIS A 234 28.105 24.672 5.670 1.00 0.05 H HETATM 2642 H4 HIS A 234 27.954 23.683 8.530 1.00 0.11 H HETATM 2643 H1 HIS A 234 29.463 25.441 7.967 1.00 0.20 H HETATM 2644 H2 HIS A 234 30.190 24.509 6.822 1.00 0.20 H HETATM 2645 H3 HIS A 234 30.276 24.079 8.408 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 693 694 698 699 700 CONECT 698 693 CONECT 699 693 CONECT 700 693 CONECT 1039 1040 1046 1047 1048 CONECT 1046 1039 CONECT 1047 1039 CONECT 1048 1039 CONECT 1449 1450 1461 1462 1463 CONECT 1461 1449 CONECT 1462 1449 CONECT 1463 1449 CONECT 2030 2031 2042 2043 2044 CONECT 2042 2030 CONECT 2043 2030 CONECT 2044 2030 CONECT 2437 2438 2643 2644 2645 CONECT 2438 2437 2439 2631 2642 CONECT 2439 2438 2440 2441 CONECT 2440 2439 CONECT 2441 2439 2442 2630 CONECT 2442 2441 2443 2613 2629 CONECT 2443 2442 2444 2445 CONECT 2444 2443 CONECT 2445 2443 2446 2612 CONECT 2446 2445 2447 2451 2467 CONECT 2447 2446 2448 2449 2450 CONECT 2448 2447 CONECT 2449 2447 CONECT 2450 2447 CONECT 2451 2446 2452 2465 2466 CONECT 2452 2451 2453 2463 2464 CONECT 2453 2452 2454 2461 2462 CONECT 2454 2453 2455 2459 2460 CONECT 2455 2454 2456 2457 2458 CONECT 2456 2455 CONECT 2457 2455 CONECT 2458 2455 CONECT 2459 2454 CONECT 2460 2454 CONECT 2461 2453 CONECT 2462 2453 CONECT 2463 2452 CONECT 2464 2452 CONECT 2465 2451 CONECT 2466 2451 CONECT 2467 2446 2468 2469 CONECT 2468 2467 CONECT 2469 2467 2470 2611 CONECT 2470 2469 2471 2597 2610 CONECT 2471 2470 2472 2473 CONECT 2472 2471 CONECT 2473 2471 2474 2596 CONECT 2474 2473 2475 2584 2595 CONECT 2475 2474 2476 2477 CONECT 2476 2475 CONECT 2477 2475 2478 2583 CONECT 2478 2477 2479 2564 2582 CONECT 2479 2478 2480 2481 CONECT 2480 2479 CONECT 2481 2479 2482 2563 CONECT 2482 2481 2483 2487 2503 CONECT 2483 2482 2484 2485 2486 CONECT 2484 2483 CONECT 2485 2483 CONECT 2486 2483 CONECT 2487 2482 2488 2501 2502 CONECT 2488 2487 2489 2499 2500 CONECT 2489 2488 2490 2497 2498 CONECT 2490 2489 2491 2495 2496 CONECT 2491 2490 2492 2493 2494 CONECT 2492 2491 CONECT 2493 2491 CONECT 2494 2491 CONECT 2495 2490 CONECT 2496 2490 CONECT 2497 2489 CONECT 2498 2489 CONECT 2499 2488 CONECT 2500 2488 CONECT 2501 2487 CONECT 2502 2487 CONECT 2503 2482 2504 2505 CONECT 2504 2503 CONECT 2505 2503 2506 2562 CONECT 2506 2505 2507 2548 2561 CONECT 2507 2506 2508 2509 CONECT 2508 2507 CONECT 2509 2507 2510 2547 CONECT 2510 2509 2511 2535 2546 CONECT 2511 2510 2512 2513 CONECT 2512 2511 CONECT 2513 2511 2514 2534 CONECT 2514 2513 2515 2527 2533 CONECT 2515 2514 2516 2517 CONECT 2516 2515 CONECT 2517 2515 2518 2526 CONECT 2518 2517 2519 2524 2525 CONECT 2519 2518 2520 2521 CONECT 2520 2519 CONECT 2521 2519 2522 2523 CONECT 2522 2521 CONECT 2523 2521 CONECT 2524 2518 CONECT 2525 2518 CONECT 2526 2517 CONECT 2527 2514 2528 2531 2532 CONECT 2528 2527 2529 2530 CONECT 2529 2528 CONECT 2530 2528 CONECT 2531 2527 CONECT 2532 2527 CONECT 2533 2514 CONECT 2534 2513 CONECT 2535 2510 2536 2544 2545 CONECT 2536 2535 2537 2542 2543 CONECT 2537 2536 2538 2539 CONECT 2538 2537 CONECT 2539 2537 2540 2541 CONECT 2540 2539 CONECT 2541 2539 CONECT 2542 2536 CONECT 2543 2536 CONECT 2544 2535 CONECT 2545 2535 CONECT 2546 2510 CONECT 2547 2509 CONECT 2548 2506 2549 2559 2560 CONECT 2549 2548 2550 2554 2558 CONECT 2550 2549 2551 2552 2553 CONECT 2551 2550 CONECT 2552 2550 CONECT 2553 2550 CONECT 2554 2549 2555 2556 2557 CONECT 2555 2554 CONECT 2556 2554 CONECT 2557 2554 CONECT 2558 2549 CONECT 2559 2548 CONECT 2560 2548 CONECT 2561 2506 CONECT 2562 2505 CONECT 2563 2481 CONECT 2564 2478 2565 2580 2581 CONECT 2565 2564 2566 2578 2579 CONECT 2566 2565 2567 2576 2577 CONECT 2567 2566 2568 2575 CONECT 2568 2567 2569 2572 CONECT 2569 2568 2570 2571 CONECT 2570 2569 CONECT 2571 2569 CONECT 2572 2568 2573 2574 CONECT 2573 2572 CONECT 2574 2572 CONECT 2575 2567 CONECT 2576 2566 CONECT 2577 2566 CONECT 2578 2565 CONECT 2579 2565 CONECT 2580 2564 CONECT 2581 2564 CONECT 2582 2478 CONECT 2583 2477 CONECT 2584 2474 2585 2593 2594 CONECT 2585 2584 2586 2589 CONECT 2586 2585 2587 2592 CONECT 2587 2586 2588 2591 CONECT 2588 2587 2589 CONECT 2589 2585 2588 2590 CONECT 2590 2589 CONECT 2591 2587 CONECT 2592 2586 CONECT 2593 2584 CONECT 2594 2584 CONECT 2595 2474 CONECT 2596 2473 CONECT 2597 2470 2598 2608 2609 CONECT 2598 2597 2599 2603 2607 CONECT 2599 2598 2600 2601 2602 CONECT 2600 2599 CONECT 2601 2599 CONECT 2602 2599 CONECT 2603 2598 2604 2605 2606 CONECT 2604 2603 CONECT 2605 2603 CONECT 2606 2603 CONECT 2607 2598 CONECT 2608 2597 CONECT 2609 2597 CONECT 2610 2470 CONECT 2611 2469 CONECT 2612 2445 CONECT 2613 2442 2614 2627 2628 CONECT 2614 2613 2615 2625 2626 CONECT 2615 2614 2616 2623 2624 CONECT 2616 2615 2617 2621 2622 CONECT 2617 2616 2618 2619 2620 CONECT 2618 2617 CONECT 2619 2617 CONECT 2620 2617 CONECT 2621 2616 CONECT 2622 2616 CONECT 2623 2615 CONECT 2624 2615 CONECT 2625 2614 CONECT 2626 2614 CONECT 2627 2613 CONECT 2628 2613 CONECT 2629 2442 CONECT 2630 2441 CONECT 2631 2438 2632 2640 2641 CONECT 2632 2631 2633 2636 CONECT 2633 2632 2634 2639 CONECT 2634 2633 2635 2638 CONECT 2635 2634 2636 CONECT 2636 2632 2635 2637 CONECT 2637 2636 CONECT 2638 2634 CONECT 2639 2633 CONECT 2640 2631 CONECT 2641 2631 CONECT 2642 2438 CONECT 2643 2437 CONECT 2644 2437 CONECT 2645 2437 MASTER 0 0 0 0 0 0 0 0 2640 5 229 20 END
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Entry Information
PDB ID
5dxg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
IC50=1200nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Angew. Chem. Int. Ed. Engl. Vol. 55: pp. 4252-4255
Ligand Properties
Formula
C
6
3
H
1
1
2
N
2
1
O
1
4
Molecular Weight
1387.700
Exact Mass
1386.870
No. of atoms
210
No. of bonds
211
Polar Surface Area
593.13
LOGP Value
-0.02 (
Computed with XLOGP3
)
0.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 59
No. of Nitrogen and Oxygen Atoms: 35
No. of Rings: 2
Canonical SMILES
CCCCC[C@@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)CC(=O)O)CCC(=O)N)CC(C)C)(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)[NH3+])CCCC[NH3+])(CCCCC)C)CC(C)C)Cc1[nH]cnc1)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C63H109N21O14/c1-9-11-14-22-62(7,83-57(95)41(18-13-16-24-64)76-51(89)40(65)28-38-31-70-34-74-38)60(98)82-45(27-37(5)6)55(93)79-46(29-39-32-71-35-75-39)56(94)77-42(19-17-25-72-61(68)69)58(96)84-63(8,23-15-12-10-2)59(97)81-44(26-36(3)4)54(92)78-43(20-21-48(66)85)53(91)80-47(30-50(87)88)52(90)73-33-49(67)86/h31-32,34-37,40-47H,9-30,33,64-65H2,1-8H3,(H2,66,85)(H2,67,86)(H,70,74)(H,71,75)(H,73,90)(H,76,89)(H,77,94)(H,78,92)(H,79,93)(H,80,91)(H,81,97)(H,82,98)(H,83,95)(H,84,96)(H,87,88)(H4,68,69,72)/p+3/t40-,41-,42-,43-,44-,45-,46-,47-,62-,63-/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):
P03372
Q15596
Entrez Gene ID
NCBI Entrez Gene ID:
2099
10499
ASD
Information of known allosteric effects of PDB entries
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