Browse entries in the PDBbind-CN Database
HEADER 4X9R_COMPLEX COMPND 4X9R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 220 HIS LEU SER ASP MET LEU GLN GLN LEU HIS SER VAL ASN SEQRES 2 A 220 ALA SER LYS PRO SER GLU ARG GLY LEU VAL ARG GLN GLU SEQRES 3 A 220 GLU ALA GLU ASP PRO ALA CYS ILE PRO ILE PHE TRP VAL SEQRES 4 A 220 SER LYS TRP VAL ASP TYR SER ASP LYS TYR GLY LEU GLY SEQRES 5 A 220 TYR GLN LEU CYS ASP ASN SER VAL GLY VAL LEU PHE ASN SEQRES 6 A 220 ASP SER THR ARG LEU ILE LEU TYR ASN ASP GLY ASP SER SEQRES 7 A 220 LEU GLN TYR ILE GLU ARG ASP GLY THR GLU SER TYR LEU SEQRES 8 A 220 THR VAL SER SER HIS PRO ASN SER LEU MET LYS LYS ILE SEQRES 9 A 220 THR LEU LEU LYS TYR PHE ARG ASN TYR MET SER GLU HIS SEQRES 10 A 220 LEU LEU LYS ALA GLY ALA ASN ILE THR PRO ARG GLU GLY SEQRES 11 A 220 ASP GLU LEU ALA ARG LEU PRO TYR LEU ARG THR TRP PHE SEQRES 12 A 220 ARG THR ARG SER ALA ILE ILE LEU HIS LEU SER ASN GLY SEQRES 13 A 220 SER VAL GLN ILE ASN PHE PHE GLN ASP HIS THR LYS LEU SEQRES 14 A 220 ILE LEU CYS PRO LEU MET ALA ALA VAL THR TYR ILE ASP SEQRES 15 A 220 GLU LYS ARG ASP PHE ARG THR TYR ARG LEU SER LEU LEU SEQRES 16 A 220 GLU GLU TYR GLY CYS CYS LYS GLU LEU ALA SER ARG LEU SEQRES 17 A 220 ARG TYR ALA ARG THR MET VAL ASP LYS LEU LEU SER HET UNN A 410 139 ATOM 1 N HIS A 373 6.780 1.597 72.620 1.00 34.00 N ATOM 2 CA HIS A 373 7.011 1.414 71.193 1.00 32.68 C ATOM 3 C HIS A 373 7.357 2.715 70.468 1.00 27.60 C ATOM 4 O HIS A 373 7.270 2.776 69.238 1.00 25.59 O ATOM 5 CB HIS A 373 5.796 0.851 70.465 1.00 36.54 C ATOM 6 CG HIS A 373 5.064 -0.221 71.199 1.00 39.25 C ATOM 7 ND1 HIS A 373 4.022 0.047 72.058 1.00 39.64 N ATOM 8 CD2 HIS A 373 5.190 -1.567 71.161 1.00 41.57 C ATOM 9 CE1 HIS A 373 3.551 -1.090 72.538 1.00 41.81 C ATOM 10 NE2 HIS A 373 4.245 -2.085 72.011 1.00 42.83 N ATOM 11 HN3 HIS A 373 5.988 2.256 72.760 1.00 0.00 H ATOM 12 HN2 HIS A 373 7.638 1.985 73.062 1.00 0.00 H ATOM 13 HN1 HIS A 373 6.550 0.680 73.053 1.00 0.00 H ATOM 14 N LEU A 374 7.684 3.763 71.217 1.00 24.59 N ATOM 15 CA LEU A 374 8.177 4.986 70.587 1.00 23.17 C ATOM 16 C LEU A 374 9.474 4.725 69.834 1.00 22.93 C ATOM 17 O LEU A 374 9.694 5.346 68.798 1.00 21.90 O ATOM 18 CB LEU A 374 8.415 6.098 71.600 1.00 25.94 C ATOM 19 CG LEU A 374 7.266 6.908 72.170 1.00 27.09 C ATOM 20 CD1 LEU A 374 7.869 7.874 73.218 1.00 27.41 C ATOM 21 CD2 LEU A 374 6.513 7.647 71.063 1.00 26.83 C ATOM 22 H LEU A 374 7.589 3.713 72.251 1.00 0.00 H ATOM 23 N SER A 375 10.323 3.835 70.345 1.00 23.08 N ATOM 24 CA SER A 375 11.518 3.441 69.607 1.00 24.50 C ATOM 25 C SER A 375 11.165 2.788 68.284 1.00 23.92 C ATOM 26 O SER A 375 11.788 3.073 67.278 1.00 24.46 O ATOM 27 CB SER A 375 12.436 2.542 70.451 1.00 30.19 C ATOM 28 OG SER A 375 13.017 3.342 71.456 1.00 34.47 O ATOM 29 HG SER A 375 13.615 2.785 72.015 1.00 0.00 H ATOM 30 H SER A 375 10.132 3.417 71.278 1.00 0.00 H ATOM 31 N ASP A 376 10.147 1.928 68.271 1.00 23.66 N ATOM 32 CA ASP A 376 9.707 1.337 67.007 1.00 22.76 C ATOM 33 C ASP A 376 9.206 2.423 66.034 1.00 21.36 C ATOM 34 O ASP A 376 9.536 2.391 64.849 1.00 20.64 O ATOM 35 CB ASP A 376 8.611 0.287 67.225 1.00 25.46 C ATOM 36 CG ASP A 376 9.102 -0.963 67.965 1.00 29.31 C ATOM 37 OD1 ASP A 376 10.314 -1.239 67.974 1.00 31.02 O ATOM 38 OD2 ASP A 376 8.246 -1.680 68.502 1.00 32.48 O ATOM 39 H ASP A 376 9.666 1.677 69.158 1.00 0.00 H ATOM 40 N MET A 377 8.431 3.384 66.545 1.00 20.40 N ATOM 41 CA MET A 377 7.919 4.460 65.724 1.00 18.40 C ATOM 42 C MET A 377 9.069 5.273 65.125 1.00 19.35 C ATOM 43 O MET A 377 9.041 5.616 63.941 1.00 19.07 O ATOM 44 CB MET A 377 7.022 5.368 66.549 1.00 19.18 C ATOM 45 CG MET A 377 6.329 6.423 65.658 1.00 18.94 C ATOM 46 SD MET A 377 5.179 7.431 66.522 1.00 21.03 S ATOM 47 CE MET A 377 3.929 6.195 66.946 1.00 20.65 C ATOM 48 H MET A 377 8.190 3.358 67.556 1.00 0.00 H ATOM 49 N LEU A 378 10.093 5.543 65.926 1.00 18.89 N ATOM 50 CA LEU A 378 11.246 6.281 65.432 1.00 19.79 C ATOM 51 C LEU A 378 11.926 5.508 64.303 1.00 19.00 C ATOM 52 O LEU A 378 12.283 6.092 63.277 1.00 20.38 O ATOM 53 CB LEU A 378 12.244 6.524 66.578 1.00 21.41 C ATOM 54 CG LEU A 378 13.552 7.207 66.192 1.00 23.41 C ATOM 55 CD1 LEU A 378 13.270 8.516 65.507 1.00 25.12 C ATOM 56 CD2 LEU A 378 14.458 7.417 67.417 1.00 24.03 C ATOM 57 H LEU A 378 10.071 5.224 66.916 1.00 0.00 H ATOM 58 N GLN A 379 12.090 4.194 64.472 1.00 19.87 N ATOM 59 CA GLN A 379 12.668 3.382 63.417 1.00 19.36 C ATOM 60 C GLN A 379 11.875 3.444 62.140 1.00 20.05 C ATOM 61 O GLN A 379 12.443 3.628 61.041 1.00 20.42 O ATOM 62 CB GLN A 379 12.784 1.919 63.873 1.00 21.72 C ATOM 63 CG GLN A 379 13.793 1.714 64.983 1.00 26.32 C ATOM 64 CD GLN A 379 15.198 1.849 64.502 1.00 28.37 C ATOM 65 OE1 GLN A 379 15.535 1.486 63.365 1.00 30.23 O ATOM 66 NE2 GLN A 379 16.045 2.367 65.366 1.00 28.30 N ATOM 67 HE22 GLN A 379 15.714 2.657 66.309 1.00 0.00 H ATOM 68 HE21 GLN A 379 17.045 2.487 65.106 1.00 0.00 H ATOM 69 H GLN A 379 11.801 3.749 65.366 1.00 0.00 H ATOM 70 N GLN A 380 10.561 3.303 62.274 1.00 19.66 N ATOM 71 CA GLN A 380 9.668 3.358 61.125 1.00 19.34 C ATOM 72 C GLN A 380 9.735 4.713 60.418 1.00 18.32 C ATOM 73 O GLN A 380 9.768 4.774 59.206 1.00 20.16 O ATOM 74 CB GLN A 380 8.236 3.055 61.576 1.00 18.75 C ATOM 75 CG GLN A 380 8.091 1.620 62.142 1.00 18.51 C ATOM 76 CD GLN A 380 6.845 1.437 62.975 1.00 18.77 C ATOM 77 OE1 GLN A 380 5.974 2.287 62.997 1.00 19.64 O ATOM 78 NE2 GLN A 380 6.767 0.330 63.698 1.00 19.83 N ATOM 79 HE22 GLN A 380 7.531 -0.375 63.654 1.00 0.00 H ATOM 80 HE21 GLN A 380 5.942 0.165 64.310 1.00 0.00 H ATOM 81 H GLN A 380 10.161 3.150 63.222 1.00 0.00 H ATOM 82 N LEU A 381 9.724 5.794 61.184 1.00 18.60 N ATOM 83 CA LEU A 381 9.792 7.146 60.608 1.00 17.19 C ATOM 84 C LEU A 381 11.162 7.461 60.014 1.00 18.48 C ATOM 85 O LEU A 381 11.258 8.066 58.952 1.00 19.24 O ATOM 86 CB LEU A 381 9.444 8.177 61.654 1.00 18.22 C ATOM 87 CG LEU A 381 7.962 8.259 62.010 1.00 17.04 C ATOM 88 CD1 LEU A 381 7.776 9.206 63.189 1.00 19.65 C ATOM 89 CD2 LEU A 381 7.098 8.675 60.788 1.00 20.91 C ATOM 90 H LEU A 381 9.666 5.684 62.217 1.00 0.00 H ATOM 91 N HIS A 382 12.229 7.033 60.674 1.00 18.51 N ATOM 92 CA HIS A 382 13.544 7.300 60.135 1.00 19.01 C ATOM 93 C HIS A 382 13.632 6.621 58.766 1.00 20.36 C ATOM 94 O HIS A 382 14.111 7.221 57.801 1.00 21.16 O ATOM 95 CB HIS A 382 14.659 6.832 61.062 1.00 18.98 C ATOM 96 CG HIS A 382 16.024 7.064 60.492 1.00 19.25 C ATOM 97 ND1 HIS A 382 16.808 8.144 60.829 1.00 19.40 N ATOM 98 CD2 HIS A 382 16.711 6.380 59.551 1.00 20.16 C ATOM 99 CE1 HIS A 382 17.936 8.096 60.140 1.00 21.10 C ATOM 100 NE2 HIS A 382 17.887 7.046 59.340 1.00 20.56 N ATOM 101 H HIS A 382 12.122 6.512 61.568 1.00 0.00 H ATOM 102 N SER A 383 13.183 5.370 58.702 1.00 21.23 N ATOM 103 CA SER A 383 13.255 4.590 57.498 1.00 20.18 C ATOM 104 C SER A 383 12.465 5.226 56.336 1.00 20.28 C ATOM 105 O SER A 383 12.956 5.363 55.226 1.00 21.14 O ATOM 106 CB SER A 383 12.741 3.190 57.819 1.00 23.78 C ATOM 107 OG SER A 383 12.974 2.304 56.736 1.00 24.91 O ATOM 108 HG SER A 383 13.946 2.253 56.556 1.00 0.00 H ATOM 109 H SER A 383 12.766 4.942 59.553 1.00 0.00 H ATOM 110 N VAL A 384 11.218 5.615 56.583 1.00 18.79 N ATOM 111 CA VAL A 384 10.440 6.187 55.487 1.00 19.41 C ATOM 112 C VAL A 384 11.072 7.497 55.053 1.00 19.21 C ATOM 113 O VAL A 384 11.201 7.783 53.864 1.00 21.84 O ATOM 114 CB VAL A 384 8.922 6.316 55.801 1.00 21.20 C ATOM 115 CG1 VAL A 384 8.626 7.289 56.935 1.00 24.71 C ATOM 116 CG2 VAL A 384 8.184 6.756 54.570 1.00 21.71 C ATOM 117 H VAL A 384 10.807 5.515 57.533 1.00 0.00 H ATOM 118 N ASN A 385 11.480 8.305 56.018 1.00 19.24 N ATOM 119 CA ASN A 385 12.005 9.597 55.647 1.00 17.86 C ATOM 120 C ASN A 385 13.340 9.470 54.882 1.00 20.01 C ATOM 121 O ASN A 385 13.580 10.237 53.950 1.00 22.07 O ATOM 122 CB ASN A 385 12.172 10.493 56.870 1.00 18.85 C ATOM 123 CG ASN A 385 10.835 10.835 57.534 1.00 16.92 C ATOM 124 OD1 ASN A 385 9.769 10.759 56.893 1.00 19.61 O ATOM 125 ND2 ASN A 385 10.881 11.243 58.788 1.00 20.03 N ATOM 126 HD22 ASN A 385 11.793 11.291 59.286 1.00 0.00 H ATOM 127 HD21 ASN A 385 10.006 11.516 59.278 1.00 0.00 H ATOM 128 H ASN A 385 11.424 8.017 57.016 1.00 0.00 H ATOM 129 N ALA A 386 14.165 8.477 55.227 1.00 21.60 N ATOM 130 CA ALA A 386 15.451 8.275 54.527 1.00 23.19 C ATOM 131 C ALA A 386 15.219 7.843 53.069 1.00 22.47 C ATOM 132 O ALA A 386 16.073 8.025 52.205 1.00 26.15 O ATOM 133 CB ALA A 386 16.282 7.228 55.229 1.00 24.36 C ATOM 134 H ALA A 386 13.898 7.836 56.001 1.00 0.00 H ATOM 135 N SER A 387 14.057 7.265 52.794 1.00 22.87 N ATOM 136 CA SER A 387 13.727 6.795 51.462 1.00 22.19 C ATOM 137 C SER A 387 13.289 7.921 50.501 1.00 22.37 C ATOM 138 O SER A 387 13.093 7.686 49.302 1.00 22.77 O ATOM 139 CB SER A 387 12.636 5.731 51.555 1.00 24.49 C ATOM 140 OG SER A 387 11.342 6.299 51.619 1.00 23.92 O ATOM 141 HG SER A 387 11.277 6.879 52.419 1.00 0.00 H ATOM 142 H SER A 387 13.361 7.145 53.557 1.00 0.00 H ATOM 143 N LYS A 388 13.140 9.134 51.034 1.00 22.53 N ATOM 144 CA LYS A 388 12.834 10.323 50.246 1.00 22.22 C ATOM 145 C LYS A 388 11.598 10.074 49.390 1.00 21.00 C ATOM 146 O LYS A 388 11.659 10.156 48.148 1.00 22.97 O ATOM 147 CB LYS A 388 14.005 10.709 49.353 1.00 25.69 C ATOM 148 CG LYS A 388 15.256 11.028 50.141 1.00 30.39 C ATOM 149 CD LYS A 388 16.225 11.843 49.308 1.00 35.56 C ATOM 150 CE LYS A 388 17.465 12.196 50.092 1.00 39.29 C ATOM 151 NZ LYS A 388 18.516 12.750 49.169 1.00 41.95 N ATOM 152 HZ1 LYS A 388 18.756 12.037 48.451 1.00 0.00 H ATOM 153 HZ2 LYS A 388 18.150 13.604 48.702 1.00 0.00 H ATOM 154 HZ3 LYS A 388 19.366 12.990 49.718 1.00 0.00 H ATOM 155 H LYS A 388 13.247 9.238 52.063 1.00 0.00 H ATOM 156 N PRO A 389 10.470 9.782 50.049 1.00 20.16 N ATOM 157 CA PRO A 389 9.295 9.303 49.312 1.00 20.02 C ATOM 158 C PRO A 389 8.680 10.276 48.300 1.00 21.02 C ATOM 159 O PRO A 389 8.007 9.819 47.382 1.00 20.83 O ATOM 160 CB PRO A 389 8.300 8.962 50.433 1.00 19.48 C ATOM 161 CG PRO A 389 8.698 9.870 51.552 1.00 19.90 C ATOM 162 CD PRO A 389 10.201 9.887 51.499 1.00 20.03 C ATOM 163 N SER A 390 8.870 11.581 48.465 1.00 20.38 N ATOM 164 CA SER A 390 8.323 12.518 47.491 1.00 22.12 C ATOM 165 C SER A 390 9.221 12.774 46.286 1.00 25.65 C ATOM 166 O SER A 390 8.850 13.524 45.404 1.00 26.51 O ATOM 167 CB SER A 390 7.952 13.840 48.171 1.00 23.90 C ATOM 168 OG SER A 390 9.085 14.561 48.643 1.00 25.71 O ATOM 169 HG SER A 390 9.574 14.009 49.304 1.00 0.00 H ATOM 170 H SER A 390 9.406 11.932 49.284 1.00 0.00 H ATOM 171 N GLU A 391 10.372 12.121 46.237 1.00 27.76 N ATOM 172 CA GLU A 391 11.229 12.172 45.068 1.00 32.61 C ATOM 173 C GLU A 391 11.153 10.864 44.253 1.00 35.15 C ATOM 174 O GLU A 391 12.127 10.465 43.655 1.00 36.99 O ATOM 175 CB GLU A 391 12.655 12.391 45.542 1.00 34.63 C ATOM 176 CG GLU A 391 12.815 13.554 46.500 1.00 36.66 C ATOM 177 CD GLU A 391 14.269 13.781 46.865 1.00 41.11 C ATOM 178 OE1 GLU A 391 15.126 13.049 46.311 1.00 43.70 O ATOM 179 OE2 GLU A 391 14.555 14.678 47.692 1.00 42.72 O ATOM 180 H GLU A 391 10.669 11.557 47.058 1.00 0.00 H ATOM 181 N ARG A 392 10.035 10.140 44.291 1.00 37.71 N ATOM 182 CA ARG A 392 9.840 9.027 43.349 1.00 37.28 C ATOM 183 C ARG A 392 9.449 9.596 42.023 1.00 38.10 C ATOM 184 O ARG A 392 8.613 10.498 41.965 1.00 39.00 O ATOM 185 CB ARG A 392 8.691 8.106 43.728 1.00 36.12 C ATOM 186 CG ARG A 392 8.746 7.538 45.069 1.00 34.70 C ATOM 187 CD ARG A 392 9.648 6.347 45.132 1.00 33.25 C ATOM 188 NE ARG A 392 9.758 5.967 46.527 1.00 30.06 N ATOM 189 CZ ARG A 392 10.563 6.577 47.378 1.00 28.74 C ATOM 190 NH1 ARG A 392 11.333 7.579 46.966 1.00 32.96 N ATOM 191 NH2 ARG A 392 10.593 6.184 48.633 1.00 21.93 N ATOM 192 HE ARG A 392 9.176 5.178 46.873 1.00 0.00 H ATOM 193 HH12 ARG A 392 11.966 8.058 47.637 1.00 0.00 H ATOM 194 HH11 ARG A 392 11.302 7.884 45.972 1.00 0.00 H ATOM 195 HH22 ARG A 392 11.223 6.658 49.311 1.00 0.00 H ATOM 196 HH21 ARG A 392 9.986 5.400 48.947 1.00 0.00 H ATOM 197 H ARG A 392 9.297 10.363 44.989 1.00 0.00 H ATOM 198 N GLY A 393 10.029 9.065 40.953 1.00 36.92 N ATOM 199 CA GLY A 393 9.738 9.562 39.625 1.00 35.52 C ATOM 200 C GLY A 393 8.247 9.570 39.383 1.00 32.67 C ATOM 201 O GLY A 393 7.716 10.513 38.809 1.00 34.60 O ATOM 202 H GLY A 393 10.702 8.281 41.071 1.00 0.00 H ATOM 203 N LEU A 394 7.579 8.512 39.834 1.00 27.83 N ATOM 204 CA LEU A 394 6.131 8.469 39.813 1.00 26.04 C ATOM 205 C LEU A 394 5.626 8.115 41.213 1.00 22.45 C ATOM 206 O LEU A 394 5.758 6.971 41.668 1.00 24.04 O ATOM 207 CB LEU A 394 5.650 7.416 38.816 1.00 26.19 C ATOM 208 CG LEU A 394 4.134 7.203 38.741 1.00 26.74 C ATOM 209 CD1 LEU A 394 3.368 8.502 38.365 1.00 25.79 C ATOM 210 CD2 LEU A 394 3.860 6.075 37.761 1.00 28.59 C ATOM 211 H LEU A 394 8.107 7.699 40.210 1.00 0.00 H ATOM 212 N VAL A 395 5.026 9.091 41.895 1.00 20.45 N ATOM 213 CA VAL A 395 4.432 8.861 43.208 1.00 19.45 C ATOM 214 C VAL A 395 3.128 8.084 43.083 1.00 18.82 C ATOM 215 O VAL A 395 2.222 8.487 42.358 1.00 19.41 O ATOM 216 CB VAL A 395 4.249 10.202 43.932 1.00 20.19 C ATOM 217 CG1 VAL A 395 3.283 10.072 45.114 1.00 20.76 C ATOM 218 CG2 VAL A 395 5.622 10.714 44.390 1.00 20.60 C ATOM 219 H VAL A 395 4.980 10.043 41.479 1.00 0.00 H ATOM 220 N ARG A 396 3.030 6.988 43.836 1.00 18.89 N ATOM 221 CA ARG A 396 1.861 6.109 43.787 1.00 17.61 C ATOM 222 C ARG A 396 1.296 5.931 45.191 1.00 18.00 C ATOM 223 O ARG A 396 1.027 4.807 45.626 1.00 18.13 O ATOM 224 CB ARG A 396 2.227 4.745 43.173 1.00 19.89 C ATOM 225 CG ARG A 396 2.547 4.870 41.684 1.00 23.70 C ATOM 226 CD ARG A 396 3.065 3.607 41.107 1.00 26.82 C ATOM 227 NE ARG A 396 2.052 2.581 41.191 1.00 31.02 N ATOM 228 CZ ARG A 396 2.277 1.282 41.024 1.00 33.43 C ATOM 229 NH1 ARG A 396 3.500 0.824 40.771 1.00 34.65 N ATOM 230 NH2 ARG A 396 1.263 0.449 41.120 1.00 34.96 N ATOM 231 HE ARG A 396 1.077 2.880 41.397 1.00 0.00 H ATOM 232 HH12 ARG A 396 3.657 -0.196 40.643 1.00 0.00 H ATOM 233 HH11 ARG A 396 4.299 1.486 40.701 1.00 0.00 H ATOM 234 HH22 ARG A 396 1.415 -0.572 40.993 1.00 0.00 H ATOM 235 HH21 ARG A 396 0.310 0.812 41.323 1.00 0.00 H ATOM 236 H ARG A 396 3.811 6.750 44.480 1.00 0.00 H ATOM 237 N GLN A 397 1.092 7.061 45.867 1.00 18.98 N ATOM 238 CA GLN A 397 0.656 7.090 47.261 1.00 19.15 C ATOM 239 C GLN A 397 -0.549 6.203 47.514 1.00 18.07 C ATOM 240 O GLN A 397 -0.647 5.545 48.557 1.00 17.13 O ATOM 241 CB GLN A 397 0.315 8.537 47.620 1.00 19.99 C ATOM 242 CG GLN A 397 0.054 8.778 49.092 1.00 21.25 C ATOM 243 CD GLN A 397 -0.105 10.243 49.418 1.00 22.58 C ATOM 244 OE1 GLN A 397 0.678 11.059 48.970 1.00 24.09 O ATOM 245 NE2 GLN A 397 -1.136 10.578 50.214 1.00 23.86 N ATOM 246 HE22 GLN A 397 -1.778 9.842 50.571 1.00 0.00 H ATOM 247 HE21 GLN A 397 -1.292 11.573 50.472 1.00 0.00 H ATOM 248 H GLN A 397 1.251 7.966 45.379 1.00 0.00 H ATOM 249 N GLU A 398 -1.485 6.210 46.588 1.00 17.75 N ATOM 250 CA GLU A 398 -2.728 5.443 46.770 1.00 18.29 C ATOM 251 C GLU A 398 -2.465 3.967 47.047 1.00 16.88 C ATOM 252 O GLU A 398 -3.247 3.328 47.764 1.00 18.66 O ATOM 253 CB GLU A 398 -3.633 5.596 45.536 1.00 19.79 C ATOM 254 CG GLU A 398 -4.151 6.994 45.321 1.00 21.66 C ATOM 255 CD GLU A 398 -3.247 7.890 44.472 1.00 21.75 C ATOM 256 OE1 GLU A 398 -3.738 8.966 44.100 1.00 23.74 O ATOM 257 OE2 GLU A 398 -2.079 7.560 44.200 1.00 20.76 O ATOM 258 H GLU A 398 -1.345 6.763 45.719 1.00 0.00 H ATOM 259 N GLU A 399 -1.393 3.420 46.480 1.00 17.85 N ATOM 260 CA GLU A 399 -1.134 1.992 46.635 1.00 19.39 C ATOM 261 C GLU A 399 -0.688 1.642 48.053 1.00 18.32 C ATOM 262 O GLU A 399 -0.665 0.478 48.429 1.00 19.02 O ATOM 263 CB GLU A 399 -0.048 1.549 45.672 1.00 22.13 C ATOM 264 CG GLU A 399 -0.418 1.658 44.233 1.00 28.28 C ATOM 265 CD GLU A 399 -1.495 0.671 43.753 1.00 31.36 C ATOM 266 OE1 GLU A 399 -1.815 -0.379 44.379 1.00 28.78 O ATOM 267 OE2 GLU A 399 -2.033 0.967 42.689 1.00 35.61 O ATOM 268 H GLU A 399 -0.740 4.010 45.926 1.00 0.00 H ATOM 269 N ALA A 400 -0.349 2.659 48.838 1.00 17.13 N ATOM 270 CA ALA A 400 0.093 2.445 50.200 1.00 15.72 C ATOM 271 C ALA A 400 -1.056 2.509 51.212 1.00 14.75 C ATOM 272 O ALA A 400 -0.847 2.221 52.396 1.00 15.49 O ATOM 273 CB ALA A 400 1.185 3.465 50.575 1.00 16.12 C ATOM 274 H ALA A 400 -0.402 3.629 48.466 1.00 0.00 H ATOM 275 N GLU A 401 -2.268 2.813 50.758 1.00 15.11 N ATOM 276 CA GLU A 401 -3.440 2.871 51.636 1.00 15.75 C ATOM 277 C GLU A 401 -3.780 1.466 52.072 1.00 16.13 C ATOM 278 O GLU A 401 -3.833 0.561 51.231 1.00 17.91 O ATOM 279 CB GLU A 401 -4.651 3.425 50.885 1.00 16.56 C ATOM 280 CG GLU A 401 -4.530 4.869 50.399 1.00 17.28 C ATOM 281 CD GLU A 401 -5.730 5.304 49.554 1.00 18.91 C ATOM 282 OE1 GLU A 401 -6.837 4.779 49.806 1.00 21.30 O ATOM 283 OE2 GLU A 401 -5.573 6.144 48.633 1.00 18.61 O ATOM 284 H GLU A 401 -2.389 3.017 49.745 1.00 0.00 H ATOM 285 N ASP A 402 -4.050 1.272 53.354 1.00 15.30 N ATOM 286 CA ASP A 402 -4.555 -0.027 53.791 1.00 15.39 C ATOM 287 C ASP A 402 -5.639 0.213 54.825 1.00 14.73 C ATOM 288 O ASP A 402 -5.318 0.494 55.986 1.00 15.26 O ATOM 289 CB ASP A 402 -3.444 -0.892 54.361 1.00 17.37 C ATOM 290 CG ASP A 402 -3.925 -2.316 54.626 1.00 18.77 C ATOM 291 OD1 ASP A 402 -5.147 -2.467 54.799 1.00 19.65 O ATOM 292 OD2 ASP A 402 -3.132 -3.270 54.624 1.00 21.52 O ATOM 293 H ASP A 402 -3.904 2.037 54.043 1.00 0.00 H ATOM 294 N PRO A 403 -6.927 0.099 54.417 1.00 15.88 N ATOM 295 CA PRO A 403 -8.001 0.416 55.378 1.00 16.61 C ATOM 296 C PRO A 403 -8.039 -0.513 56.602 1.00 16.21 C ATOM 297 O PRO A 403 -8.580 -0.128 57.620 1.00 17.15 O ATOM 298 CB PRO A 403 -9.300 0.312 54.558 1.00 18.70 C ATOM 299 CG PRO A 403 -8.881 0.019 53.135 1.00 21.62 C ATOM 300 CD PRO A 403 -7.427 -0.281 53.075 1.00 17.76 C ATOM 301 N ALA A 404 -7.477 -1.713 56.512 1.00 16.14 N ATOM 302 CA ALA A 404 -7.486 -2.633 57.644 1.00 16.90 C ATOM 303 C ALA A 404 -6.580 -2.161 58.766 1.00 16.23 C ATOM 304 O ALA A 404 -6.703 -2.657 59.881 1.00 18.68 O ATOM 305 CB ALA A 404 -7.104 -4.036 57.204 1.00 18.37 C ATOM 306 H ALA A 404 -7.024 -2.001 55.621 1.00 0.00 H ATOM 307 N CYS A 405 -5.744 -1.152 58.491 1.00 15.38 N ATOM 308 CA CYS A 405 -4.830 -0.606 59.484 1.00 16.32 C ATOM 309 C CYS A 405 -5.394 0.616 60.202 1.00 15.34 C ATOM 310 O CYS A 405 -4.692 1.233 60.982 1.00 16.59 O ATOM 311 CB CYS A 405 -3.506 -0.201 58.836 1.00 17.49 C ATOM 312 SG CYS A 405 -2.586 -1.574 58.123 1.00 20.96 S ATOM 313 H CYS A 405 -5.748 -0.744 57.534 1.00 0.00 H ATOM 314 N ILE A 406 -6.662 0.951 59.949 1.00 14.68 N ATOM 315 CA ILE A 406 -7.262 2.135 60.524 1.00 15.65 C ATOM 316 C ILE A 406 -7.141 2.090 62.047 1.00 14.94 C ATOM 317 O ILE A 406 -7.324 1.037 62.673 1.00 17.13 O ATOM 318 CB ILE A 406 -8.715 2.260 60.094 1.00 17.09 C ATOM 319 CG1 ILE A 406 -9.258 3.632 60.467 1.00 19.15 C ATOM 320 CG2 ILE A 406 -9.571 1.104 60.646 1.00 18.98 C ATOM 321 CD1 ILE A 406 -10.632 3.867 59.926 1.00 22.86 C ATOM 322 H ILE A 406 -7.232 0.346 59.324 1.00 0.00 H ATOM 323 N PRO A 407 -6.788 3.211 62.649 1.00 14.59 N ATOM 324 CA PRO A 407 -6.705 3.221 64.109 1.00 16.15 C ATOM 325 C PRO A 407 -8.065 3.066 64.750 1.00 15.62 C ATOM 326 O PRO A 407 -9.095 3.453 64.170 1.00 16.98 O ATOM 327 CB PRO A 407 -6.108 4.593 64.415 1.00 16.72 C ATOM 328 CG PRO A 407 -6.384 5.424 63.191 1.00 16.21 C ATOM 329 CD PRO A 407 -6.295 4.467 62.057 1.00 14.75 C ATOM 330 N ILE A 408 -8.061 2.486 65.947 1.00 17.22 N ATOM 331 CA ILE A 408 -9.281 2.322 66.707 1.00 18.78 C ATOM 332 C ILE A 408 -9.604 3.585 67.499 1.00 16.43 C ATOM 333 O ILE A 408 -10.747 3.979 67.601 1.00 18.07 O ATOM 334 CB ILE A 408 -9.172 1.119 67.680 1.00 22.89 C ATOM 335 CG1 ILE A 408 -8.659 -0.140 66.968 1.00 27.26 C ATOM 336 CG2 ILE A 408 -10.521 0.938 68.423 1.00 23.38 C ATOM 337 CD1 ILE A 408 -9.475 -0.553 65.822 1.00 28.47 C ATOM 338 H ILE A 408 -7.163 2.144 66.344 1.00 0.00 H ATOM 339 N PHE A 409 -8.577 4.229 68.010 1.00 15.76 N ATOM 340 CA PHE A 409 -8.734 5.430 68.824 1.00 16.07 C ATOM 341 C PHE A 409 -7.894 6.558 68.273 1.00 14.32 C ATOM 342 O PHE A 409 -6.757 6.348 67.856 1.00 15.87 O ATOM 343 CB PHE A 409 -8.289 5.142 70.271 1.00 16.12 C ATOM 344 CG PHE A 409 -9.151 4.148 70.958 1.00 17.07 C ATOM 345 CD1 PHE A 409 -10.402 4.533 71.393 1.00 18.42 C ATOM 346 CD2 PHE A 409 -8.724 2.846 71.192 1.00 18.57 C ATOM 347 CE1 PHE A 409 -11.232 3.637 72.030 1.00 19.82 C ATOM 348 CE2 PHE A 409 -9.562 1.948 71.876 1.00 19.29 C ATOM 349 CZ PHE A 409 -10.812 2.354 72.275 1.00 19.56 C ATOM 350 H PHE A 409 -7.618 3.869 67.827 1.00 0.00 H ATOM 351 N TRP A 410 -8.403 7.768 68.444 1.00 14.46 N ATOM 352 CA TRP A 410 -7.631 8.978 68.250 1.00 13.42 C ATOM 353 C TRP A 410 -8.312 10.053 69.088 1.00 12.54 C ATOM 354 O TRP A 410 -9.426 9.858 69.595 1.00 13.41 O ATOM 355 CB TRP A 410 -7.535 9.380 66.742 1.00 12.83 C ATOM 356 CG TRP A 410 -8.875 9.611 66.104 1.00 12.07 C ATOM 357 CD1 TRP A 410 -9.572 10.781 66.038 1.00 12.27 C ATOM 358 CD2 TRP A 410 -9.670 8.626 65.441 1.00 12.51 C ATOM 359 NE1 TRP A 410 -10.757 10.578 65.398 1.00 12.60 N ATOM 360 CE2 TRP A 410 -10.833 9.256 65.013 1.00 12.05 C ATOM 361 CE3 TRP A 410 -9.495 7.246 65.171 1.00 13.61 C ATOM 362 CZ2 TRP A 410 -11.849 8.577 64.334 1.00 13.16 C ATOM 363 CZ3 TRP A 410 -10.480 6.570 64.501 1.00 15.59 C ATOM 364 CH2 TRP A 410 -11.655 7.235 64.071 1.00 14.06 C ATOM 365 HE1 TRP A 410 -11.485 11.301 65.228 1.00 0.00 H ATOM 366 H TRP A 410 -9.399 7.853 68.730 1.00 0.00 H ATOM 367 N VAL A 411 -7.644 11.183 69.234 1.00 13.18 N ATOM 368 CA VAL A 411 -8.156 12.338 69.969 1.00 13.12 C ATOM 369 C VAL A 411 -9.045 13.176 69.051 1.00 13.68 C ATOM 370 O VAL A 411 -8.596 13.671 67.998 1.00 13.61 O ATOM 371 CB VAL A 411 -7.024 13.176 70.541 1.00 14.64 C ATOM 372 CG1 VAL A 411 -7.591 14.436 71.239 1.00 15.32 C ATOM 373 CG2 VAL A 411 -6.201 12.343 71.545 1.00 15.15 C ATOM 374 H VAL A 411 -6.701 11.255 68.802 1.00 0.00 H ATOM 375 N SER A 412 -10.318 13.283 69.419 1.00 12.40 N ATOM 376 CA SER A 412 -11.303 14.029 68.630 1.00 12.61 C ATOM 377 C SER A 412 -11.444 15.496 69.003 1.00 12.64 C ATOM 378 O SER A 412 -11.818 16.284 68.162 1.00 13.75 O ATOM 379 CB SER A 412 -12.675 13.393 68.743 1.00 12.83 C ATOM 380 OG SER A 412 -12.719 12.229 67.971 1.00 12.39 O ATOM 381 HG SER A 412 -12.538 12.455 67.024 1.00 0.00 H ATOM 382 H SER A 412 -10.626 12.821 70.298 1.00 0.00 H ATOM 383 N LYS A 413 -11.161 15.830 70.271 1.00 12.99 N ATOM 384 CA LYS A 413 -11.227 17.198 70.773 1.00 13.66 C ATOM 385 C LYS A 413 -10.205 17.305 71.889 1.00 13.23 C ATOM 386 O LYS A 413 -9.941 16.317 72.588 1.00 14.86 O ATOM 387 CB LYS A 413 -12.602 17.474 71.420 1.00 16.54 C ATOM 388 CG LYS A 413 -13.787 17.353 70.503 1.00 17.15 C ATOM 389 CD LYS A 413 -15.056 17.762 71.194 1.00 17.35 C ATOM 390 CE LYS A 413 -16.177 17.620 70.211 1.00 18.50 C ATOM 391 NZ LYS A 413 -17.397 18.234 70.697 1.00 19.23 N ATOM 392 HZ1 LYS A 413 -17.682 17.779 71.588 1.00 0.00 H ATOM 393 HZ2 LYS A 413 -17.232 19.247 70.862 1.00 0.00 H ATOM 394 HZ3 LYS A 413 -18.149 18.115 69.989 1.00 0.00 H ATOM 395 H LYS A 413 -10.880 15.075 70.929 1.00 0.00 H ATOM 396 N TRP A 414 -9.759 18.526 72.186 1.00 14.51 N ATOM 397 CA TRP A 414 -8.906 18.759 73.318 1.00 13.54 C ATOM 398 C TRP A 414 -9.015 20.206 73.789 1.00 14.66 C ATOM 399 O TRP A 414 -9.382 21.110 73.023 1.00 15.04 O ATOM 400 CB TRP A 414 -7.416 18.384 73.044 1.00 14.70 C ATOM 401 CG TRP A 414 -6.792 19.131 71.889 1.00 14.65 C ATOM 402 CD1 TRP A 414 -6.702 18.700 70.599 1.00 14.72 C ATOM 403 CD2 TRP A 414 -6.229 20.442 71.904 1.00 14.90 C ATOM 404 NE1 TRP A 414 -6.128 19.656 69.803 1.00 14.85 N ATOM 405 CE2 TRP A 414 -5.827 20.740 70.587 1.00 15.53 C ATOM 406 CE3 TRP A 414 -6.009 21.387 72.906 1.00 14.65 C ATOM 407 CZ2 TRP A 414 -5.245 21.947 70.249 1.00 16.67 C ATOM 408 CZ3 TRP A 414 -5.405 22.578 72.557 1.00 16.33 C ATOM 409 CH2 TRP A 414 -5.037 22.846 71.248 1.00 16.47 C ATOM 410 HE1 TRP A 414 -5.951 19.574 68.781 1.00 0.00 H ATOM 411 H TRP A 414 -10.035 19.328 71.584 1.00 0.00 H ATOM 412 N VAL A 415 -8.719 20.401 75.070 1.00 14.28 N ATOM 413 CA VAL A 415 -8.796 21.682 75.771 1.00 15.19 C ATOM 414 C VAL A 415 -7.568 21.803 76.643 1.00 15.91 C ATOM 415 O VAL A 415 -7.383 21.024 77.586 1.00 16.80 O ATOM 416 CB VAL A 415 -10.055 21.818 76.636 1.00 16.42 C ATOM 417 CG1 VAL A 415 -10.065 23.144 77.356 1.00 16.71 C ATOM 418 CG2 VAL A 415 -11.317 21.661 75.827 1.00 16.62 C ATOM 419 H VAL A 415 -8.407 19.575 75.619 1.00 0.00 H ATOM 420 N ASP A 416 -6.770 22.828 76.377 1.00 15.70 N ATOM 421 CA ASP A 416 -5.559 23.086 77.153 1.00 17.57 C ATOM 422 C ASP A 416 -5.889 24.098 78.244 1.00 18.47 C ATOM 423 O ASP A 416 -5.956 25.314 77.990 1.00 19.32 O ATOM 424 CB ASP A 416 -4.450 23.620 76.233 1.00 19.27 C ATOM 425 CG ASP A 416 -3.156 23.945 76.955 1.00 20.85 C ATOM 426 OD1 ASP A 416 -3.091 23.863 78.191 1.00 20.34 O ATOM 427 OD2 ASP A 416 -2.174 24.287 76.253 1.00 21.96 O ATOM 428 H ASP A 416 -7.013 23.467 75.593 1.00 0.00 H ATOM 429 N TYR A 417 -6.097 23.593 79.457 1.00 17.84 N ATOM 430 CA TYR A 417 -6.273 24.457 80.627 1.00 18.22 C ATOM 431 C TYR A 417 -5.086 24.180 81.551 1.00 18.76 C ATOM 432 O TYR A 417 -5.227 24.116 82.776 1.00 19.19 O ATOM 433 CB TYR A 417 -7.617 24.176 81.328 1.00 18.40 C ATOM 434 CG TYR A 417 -8.193 25.321 82.181 1.00 18.77 C ATOM 435 CD1 TYR A 417 -7.425 26.408 82.579 1.00 22.04 C ATOM 436 CD2 TYR A 417 -9.515 25.286 82.619 1.00 17.08 C ATOM 437 CE1 TYR A 417 -7.983 27.438 83.350 1.00 22.00 C ATOM 438 CE2 TYR A 417 -10.043 26.300 83.386 1.00 19.83 C ATOM 439 CZ TYR A 417 -9.296 27.380 83.721 1.00 21.35 C ATOM 440 OH TYR A 417 -9.817 28.403 84.513 1.00 22.50 O ATOM 441 HH TYR A 417 -9.126 29.099 84.648 1.00 0.00 H ATOM 442 H TYR A 417 -6.136 22.561 79.578 1.00 0.00 H ATOM 443 N SER A 418 -3.912 24.002 80.941 1.00 19.74 N ATOM 444 CA SER A 418 -2.711 23.639 81.690 1.00 18.89 C ATOM 445 C SER A 418 -2.111 24.768 82.531 1.00 20.55 C ATOM 446 O SER A 418 -1.285 24.526 83.394 1.00 20.90 O ATOM 447 CB SER A 418 -1.653 23.030 80.768 1.00 21.09 C ATOM 448 OG SER A 418 -1.105 24.018 79.927 1.00 23.62 O ATOM 449 HG SER A 418 -1.824 24.415 79.374 1.00 0.00 H ATOM 450 H SER A 418 -3.851 24.124 79.910 1.00 0.00 H ATOM 451 N ASP A 419 -2.557 25.983 82.325 1.00 21.83 N ATOM 452 CA ASP A 419 -2.068 27.043 83.192 1.00 24.90 C ATOM 453 C ASP A 419 -2.565 26.840 84.619 1.00 26.65 C ATOM 454 O ASP A 419 -1.928 27.337 85.560 1.00 29.28 O ATOM 455 CB ASP A 419 -2.410 28.417 82.628 1.00 29.08 C ATOM 456 CG ASP A 419 -3.868 28.709 82.686 1.00 31.98 C ATOM 457 OD1 ASP A 419 -4.626 27.731 82.653 1.00 34.58 O ATOM 458 OD2 ASP A 419 -4.246 29.904 82.807 1.00 36.19 O ATOM 459 H ASP A 419 -3.239 26.183 81.566 1.00 0.00 H ATOM 460 N LYS A 420 -3.676 26.108 84.792 1.00 23.95 N ATOM 461 CA LYS A 420 -4.204 25.865 86.129 1.00 23.44 C ATOM 462 C LYS A 420 -4.375 24.404 86.490 1.00 21.96 C ATOM 463 O LYS A 420 -4.089 24.030 87.628 1.00 25.58 O ATOM 464 CB LYS A 420 -5.584 26.520 86.298 1.00 24.85 C ATOM 465 CG LYS A 420 -5.527 28.021 86.388 1.00 26.12 C ATOM 466 CD LYS A 420 -6.856 28.601 86.860 1.00 27.17 C ATOM 467 CE LYS A 420 -6.963 30.083 86.626 1.00 29.51 C ATOM 468 NZ LYS A 420 -5.995 30.887 87.395 1.00 29.80 N ATOM 469 HZ1 LYS A 420 -6.143 30.726 88.412 1.00 0.00 H ATOM 470 HZ2 LYS A 420 -5.028 30.605 87.135 1.00 0.00 H ATOM 471 HZ3 LYS A 420 -6.134 31.895 87.178 1.00 0.00 H ATOM 472 H LYS A 420 -4.165 25.710 83.965 1.00 0.00 H ATOM 473 N TYR A 421 -4.857 23.586 85.539 1.00 19.24 N ATOM 474 CA TYR A 421 -5.385 22.258 85.878 1.00 18.03 C ATOM 475 C TYR A 421 -4.787 21.119 85.068 1.00 17.34 C ATOM 476 O TYR A 421 -4.388 20.112 85.648 1.00 20.17 O ATOM 477 CB TYR A 421 -6.927 22.236 85.751 1.00 15.66 C ATOM 478 CG TYR A 421 -7.599 23.270 86.645 1.00 15.62 C ATOM 479 CD1 TYR A 421 -7.407 23.253 88.030 1.00 16.60 C ATOM 480 CD2 TYR A 421 -8.417 24.261 86.119 1.00 16.66 C ATOM 481 CE1 TYR A 421 -7.988 24.210 88.846 1.00 17.32 C ATOM 482 CE2 TYR A 421 -9.013 25.212 86.961 1.00 16.65 C ATOM 483 CZ TYR A 421 -8.775 25.160 88.296 1.00 17.62 C ATOM 484 OH TYR A 421 -9.331 26.078 89.153 1.00 20.34 O ATOM 485 HH TYR A 421 -9.044 25.879 90.079 1.00 0.00 H ATOM 486 H TYR A 421 -4.856 23.898 84.547 1.00 0.00 H ATOM 487 N GLY A 422 -4.812 21.224 83.738 1.00 18.49 N ATOM 488 CA GLY A 422 -4.380 20.105 82.919 1.00 17.38 C ATOM 489 C GLY A 422 -4.912 20.212 81.502 1.00 16.76 C ATOM 490 O GLY A 422 -5.469 21.240 81.084 1.00 17.75 O ATOM 491 H GLY A 422 -5.139 22.103 83.290 1.00 0.00 H ATOM 492 N LEU A 423 -4.735 19.118 80.786 1.00 16.25 N ATOM 493 CA LEU A 423 -5.155 18.940 79.394 1.00 16.81 C ATOM 494 C LEU A 423 -6.316 17.957 79.384 1.00 16.11 C ATOM 495 O LEU A 423 -6.154 16.789 79.751 1.00 16.62 O ATOM 496 CB LEU A 423 -3.978 18.391 78.567 1.00 17.67 C ATOM 497 CG LEU A 423 -3.987 18.325 77.047 1.00 21.41 C ATOM 498 CD1 LEU A 423 -4.994 17.365 76.514 1.00 20.07 C ATOM 499 CD2 LEU A 423 -4.150 19.697 76.411 1.00 20.96 C ATOM 500 H LEU A 423 -4.259 18.317 81.247 1.00 0.00 H ATOM 501 N GLY A 424 -7.497 18.456 79.012 1.00 15.71 N ATOM 502 CA GLY A 424 -8.678 17.630 78.807 1.00 15.80 C ATOM 503 C GLY A 424 -8.823 17.200 77.360 1.00 15.39 C ATOM 504 O GLY A 424 -8.473 17.960 76.456 1.00 14.57 O ATOM 505 H GLY A 424 -7.577 19.482 78.862 1.00 0.00 H ATOM 506 N TYR A 425 -9.334 16.005 77.119 1.00 15.76 N ATOM 507 CA TYR A 425 -9.453 15.527 75.750 1.00 15.70 C ATOM 508 C TYR A 425 -10.611 14.555 75.640 1.00 15.19 C ATOM 509 O TYR A 425 -11.077 13.995 76.644 1.00 15.69 O ATOM 510 CB TYR A 425 -8.132 14.888 75.279 1.00 16.14 C ATOM 511 CG TYR A 425 -7.755 13.650 76.071 1.00 15.12 C ATOM 512 CD1 TYR A 425 -7.049 13.764 77.253 1.00 16.79 C ATOM 513 CD2 TYR A 425 -8.142 12.373 75.660 1.00 15.32 C ATOM 514 CE1 TYR A 425 -6.737 12.674 77.994 1.00 17.23 C ATOM 515 CE2 TYR A 425 -7.827 11.261 76.421 1.00 16.60 C ATOM 516 CZ TYR A 425 -7.118 11.421 77.583 1.00 17.11 C ATOM 517 OH TYR A 425 -6.783 10.338 78.367 1.00 17.84 O ATOM 518 HH TYR A 425 -7.608 9.878 78.663 1.00 0.00 H ATOM 519 H TYR A 425 -9.651 15.406 77.908 1.00 0.00 H ATOM 520 N GLN A 426 -11.046 14.364 74.408 1.00 14.80 N ATOM 521 CA GLN A 426 -12.066 13.399 74.075 1.00 14.15 C ATOM 522 C GLN A 426 -11.473 12.440 73.085 1.00 14.21 C ATOM 523 O GLN A 426 -10.779 12.876 72.139 1.00 15.25 O ATOM 524 CB GLN A 426 -13.265 14.111 73.491 1.00 16.32 C ATOM 525 CG GLN A 426 -14.432 13.221 73.124 1.00 17.35 C ATOM 526 CD GLN A 426 -15.355 13.920 72.115 1.00 20.72 C ATOM 527 OE1 GLN A 426 -14.979 14.139 70.960 1.00 20.90 O ATOM 528 NE2 GLN A 426 -16.543 14.276 72.544 1.00 24.14 N ATOM 529 HE22 GLN A 426 -16.824 14.074 73.525 1.00 0.00 H ATOM 530 HE21 GLN A 426 -17.204 14.760 71.903 1.00 0.00 H ATOM 531 H GLN A 426 -10.635 14.935 73.642 1.00 0.00 H ATOM 532 N LEU A 427 -11.713 11.152 73.269 1.00 13.80 N ATOM 533 CA LEU A 427 -11.401 10.194 72.230 1.00 13.93 C ATOM 534 C LEU A 427 -12.568 10.002 71.294 1.00 13.17 C ATOM 535 O LEU A 427 -13.699 10.351 71.602 1.00 14.69 O ATOM 536 CB LEU A 427 -10.987 8.839 72.829 1.00 14.34 C ATOM 537 CG LEU A 427 -9.757 8.837 73.728 1.00 13.55 C ATOM 538 CD1 LEU A 427 -9.524 7.458 74.253 1.00 14.87 C ATOM 539 CD2 LEU A 427 -8.512 9.383 73.030 1.00 15.51 C ATOM 540 H LEU A 427 -12.128 10.826 74.165 1.00 0.00 H ATOM 541 N CYS A 428 -12.289 9.390 70.134 1.00 13.57 N ATOM 542 CA CYS A 428 -13.290 9.283 69.100 1.00 13.05 C ATOM 543 C CYS A 428 -14.507 8.421 69.477 1.00 13.27 C ATOM 544 O CYS A 428 -15.524 8.509 68.805 1.00 14.82 O ATOM 545 CB CYS A 428 -12.679 8.779 67.820 1.00 14.35 C ATOM 546 SG CYS A 428 -12.026 7.079 68.036 1.00 15.15 S ATOM 547 H CYS A 428 -11.342 8.989 69.978 1.00 0.00 H ATOM 548 N ASP A 429 -14.407 7.627 70.542 1.00 14.23 N ATOM 549 CA ASP A 429 -15.552 6.865 71.034 1.00 14.91 C ATOM 550 C ASP A 429 -16.394 7.677 72.034 1.00 15.08 C ATOM 551 O ASP A 429 -17.338 7.135 72.628 1.00 16.20 O ATOM 552 CB ASP A 429 -15.068 5.577 71.695 1.00 15.10 C ATOM 553 CG ASP A 429 -14.426 5.820 73.067 1.00 15.19 C ATOM 554 OD1 ASP A 429 -13.841 6.914 73.249 1.00 15.88 O ATOM 555 OD2 ASP A 429 -14.459 4.902 73.925 1.00 17.67 O ATOM 556 H ASP A 429 -13.494 7.548 71.034 1.00 0.00 H ATOM 557 N ASN A 430 -16.065 8.968 72.202 1.00 15.18 N ATOM 558 CA ASN A 430 -16.741 9.889 73.125 1.00 15.01 C ATOM 559 C ASN A 430 -16.361 9.747 74.589 1.00 16.83 C ATOM 560 O ASN A 430 -16.888 10.465 75.431 1.00 19.44 O ATOM 561 CB ASN A 430 -18.258 9.865 72.982 1.00 17.48 C ATOM 562 CG ASN A 430 -18.703 10.119 71.590 1.00 23.30 C ATOM 563 OD1 ASN A 430 -18.260 11.056 70.964 1.00 24.44 O ATOM 564 ND2 ASN A 430 -19.560 9.248 71.078 1.00 29.81 N ATOM 565 HD22 ASN A 430 -19.910 8.460 71.659 1.00 0.00 H ATOM 566 HD21 ASN A 430 -19.882 9.352 70.095 1.00 0.00 H ATOM 567 H ASN A 430 -15.275 9.342 71.638 1.00 0.00 H ATOM 568 N SER A 431 -15.418 8.881 74.890 1.00 14.72 N ATOM 569 CA SER A 431 -14.827 8.867 76.217 1.00 16.75 C ATOM 570 C SER A 431 -14.049 10.163 76.377 1.00 15.97 C ATOM 571 O SER A 431 -13.691 10.805 75.391 1.00 15.83 O ATOM 572 CB SER A 431 -13.945 7.613 76.420 1.00 16.30 C ATOM 573 OG SER A 431 -12.819 7.609 75.566 1.00 15.85 O ATOM 574 HG SER A 431 -13.121 7.624 74.623 1.00 0.00 H ATOM 575 H SER A 431 -15.093 8.201 74.173 1.00 0.00 H ATOM 576 N VAL A 432 -13.813 10.580 77.614 1.00 15.55 N ATOM 577 CA VAL A 432 -12.997 11.762 77.865 1.00 15.83 C ATOM 578 C VAL A 432 -11.959 11.457 78.908 1.00 16.32 C ATOM 579 O VAL A 432 -12.142 10.575 79.747 1.00 16.83 O ATOM 580 CB VAL A 432 -13.835 13.004 78.263 1.00 15.26 C ATOM 581 CG1 VAL A 432 -14.782 13.370 77.146 1.00 15.60 C ATOM 582 CG2 VAL A 432 -14.581 12.778 79.561 1.00 14.88 C ATOM 583 H VAL A 432 -14.216 10.056 78.417 1.00 0.00 H ATOM 584 N GLY A 433 -10.864 12.188 78.853 1.00 16.59 N ATOM 585 CA GLY A 433 -9.819 12.061 79.841 1.00 17.32 C ATOM 586 C GLY A 433 -9.274 13.414 80.211 1.00 15.08 C ATOM 587 O GLY A 433 -9.437 14.404 79.494 1.00 16.62 O ATOM 588 H GLY A 433 -10.750 12.873 78.079 1.00 0.00 H ATOM 589 N VAL A 434 -8.536 13.422 81.311 1.00 16.78 N ATOM 590 CA VAL A 434 -7.751 14.573 81.721 1.00 16.64 C ATOM 591 C VAL A 434 -6.379 14.085 82.180 1.00 16.61 C ATOM 592 O VAL A 434 -6.280 13.118 82.959 1.00 18.61 O ATOM 593 CB VAL A 434 -8.409 15.347 82.864 1.00 17.03 C ATOM 594 CG1 VAL A 434 -7.599 16.571 83.165 1.00 18.01 C ATOM 595 CG2 VAL A 434 -9.884 15.707 82.538 1.00 17.80 C ATOM 596 H VAL A 434 -8.518 12.569 81.906 1.00 0.00 H ATOM 597 N LEU A 435 -5.342 14.734 81.670 1.00 15.61 N ATOM 598 CA LEU A 435 -3.978 14.592 82.177 1.00 17.02 C ATOM 599 C LEU A 435 -3.728 15.831 83.022 1.00 17.26 C ATOM 600 O LEU A 435 -3.545 16.921 82.497 1.00 17.44 O ATOM 601 CB LEU A 435 -2.966 14.416 81.048 1.00 19.27 C ATOM 602 CG LEU A 435 -1.497 14.343 81.457 1.00 21.25 C ATOM 603 CD1 LEU A 435 -1.233 13.361 82.568 1.00 22.64 C ATOM 604 CD2 LEU A 435 -0.671 14.022 80.233 1.00 21.73 C ATOM 605 H LEU A 435 -5.507 15.377 80.869 1.00 0.00 H ATOM 606 N PHE A 436 -3.802 15.651 84.342 1.00 16.27 N ATOM 607 CA PHE A 436 -3.630 16.777 85.253 1.00 18.56 C ATOM 608 C PHE A 436 -2.170 17.189 85.321 1.00 19.43 C ATOM 609 O PHE A 436 -1.272 16.428 84.968 1.00 20.36 O ATOM 610 CB PHE A 436 -4.147 16.421 86.645 1.00 18.66 C ATOM 611 CG PHE A 436 -5.633 16.185 86.691 1.00 17.24 C ATOM 612 CD1 PHE A 436 -6.525 17.250 86.649 1.00 18.44 C ATOM 613 CD2 PHE A 436 -6.140 14.910 86.754 1.00 16.58 C ATOM 614 CE1 PHE A 436 -7.914 17.032 86.661 1.00 17.26 C ATOM 615 CE2 PHE A 436 -7.521 14.681 86.774 1.00 16.66 C ATOM 616 CZ PHE A 436 -8.409 15.752 86.741 1.00 16.81 C ATOM 617 H PHE A 436 -3.984 14.701 84.724 1.00 0.00 H ATOM 618 N ASN A 437 -1.954 18.427 85.718 1.00 20.61 N ATOM 619 CA ASN A 437 -0.618 18.971 85.851 1.00 22.89 C ATOM 620 C ASN A 437 0.265 18.153 86.783 1.00 22.60 C ATOM 621 O ASN A 437 1.482 18.208 86.659 1.00 24.87 O ATOM 622 CB ASN A 437 -0.719 20.413 86.329 1.00 23.70 C ATOM 623 CG ASN A 437 -1.132 21.373 85.213 1.00 24.59 C ATOM 624 OD1 ASN A 437 -1.313 20.972 84.066 1.00 24.71 O ATOM 625 ND2 ASN A 437 -1.310 22.644 85.554 1.00 24.60 N ATOM 626 HD22 ASN A 437 -1.147 22.947 86.535 1.00 0.00 H ATOM 627 HD21 ASN A 437 -1.612 23.337 84.840 1.00 0.00 H ATOM 628 H ASN A 437 -2.769 19.033 85.943 1.00 0.00 H ATOM 629 N ASP A 438 -0.327 17.384 87.704 1.00 23.11 N ATOM 630 CA ASP A 438 0.461 16.548 88.621 1.00 23.83 C ATOM 631 C ASP A 438 0.736 15.131 88.086 1.00 24.53 C ATOM 632 O ASP A 438 1.136 14.251 88.850 1.00 25.72 O ATOM 633 CB ASP A 438 -0.219 16.471 89.995 1.00 24.75 C ATOM 634 CG ASP A 438 -1.509 15.664 89.982 1.00 24.73 C ATOM 635 OD1 ASP A 438 -1.977 15.272 88.877 1.00 23.37 O ATOM 636 OD2 ASP A 438 -2.056 15.419 91.087 1.00 26.24 O ATOM 637 H ASP A 438 -1.365 17.378 87.772 1.00 0.00 H ATOM 638 N SER A 439 0.495 14.924 86.785 1.00 23.64 N ATOM 639 CA SER A 439 0.796 13.667 86.078 1.00 24.74 C ATOM 640 C SER A 439 -0.070 12.505 86.492 1.00 24.76 C ATOM 641 O SER A 439 0.302 11.359 86.339 1.00 26.41 O ATOM 642 CB SER A 439 2.270 13.302 86.218 1.00 27.37 C ATOM 643 OG SER A 439 3.047 14.331 85.625 1.00 30.26 O ATOM 644 HG SER A 439 2.865 15.188 86.086 1.00 0.00 H ATOM 645 H SER A 439 0.068 15.700 86.239 1.00 0.00 H ATOM 646 N THR A 440 -1.259 12.816 86.976 1.00 20.97 N ATOM 647 CA THR A 440 -2.280 11.811 87.224 1.00 20.94 C ATOM 648 C THR A 440 -3.323 11.978 86.141 1.00 20.19 C ATOM 649 O THR A 440 -3.392 13.031 85.486 1.00 20.10 O ATOM 650 CB THR A 440 -2.916 11.951 88.635 1.00 20.39 C ATOM 651 OG1 THR A 440 -3.624 13.198 88.772 1.00 19.82 O ATOM 652 CG2 THR A 440 -1.836 11.843 89.715 1.00 20.68 C ATOM 653 HG1 THR A 440 -2.995 13.950 88.635 1.00 0.00 H ATOM 654 H THR A 440 -1.472 13.812 87.187 1.00 0.00 H ATOM 655 N ARG A 441 -4.162 10.966 85.983 1.00 21.50 N ATOM 656 CA ARG A 441 -5.178 10.968 84.943 1.00 20.20 C ATOM 657 C ARG A 441 -6.512 10.419 85.410 1.00 18.87 C ATOM 658 O ARG A 441 -6.583 9.450 86.184 1.00 19.46 O ATOM 659 CB ARG A 441 -4.697 10.114 83.752 1.00 21.24 C ATOM 660 CG ARG A 441 -3.352 10.546 83.242 1.00 23.62 C ATOM 661 CD ARG A 441 -2.657 9.380 82.681 1.00 24.99 C ATOM 662 NE ARG A 441 -1.318 9.726 82.194 1.00 23.70 N ATOM 663 CZ ARG A 441 -0.182 9.478 82.836 1.00 23.38 C ATOM 664 NH1 ARG A 441 -0.178 8.826 83.991 1.00 25.59 N ATOM 665 NH2 ARG A 441 0.961 9.812 82.288 1.00 24.99 N ATOM 666 HE ARG A 441 -1.253 10.204 81.272 1.00 0.00 H ATOM 667 HH12 ARG A 441 0.721 8.640 84.480 1.00 0.00 H ATOM 668 HH11 ARG A 441 -1.074 8.500 84.407 1.00 0.00 H ATOM 669 HH22 ARG A 441 1.853 9.620 82.787 1.00 0.00 H ATOM 670 HH21 ARG A 441 0.976 10.269 81.354 1.00 0.00 H ATOM 671 H ARG A 441 -4.092 10.147 86.620 1.00 0.00 H ATOM 672 N LEU A 442 -7.572 11.001 84.872 1.00 17.77 N ATOM 673 CA LEU A 442 -8.894 10.427 84.986 1.00 17.31 C ATOM 674 C LEU A 442 -9.391 10.127 83.591 1.00 16.65 C ATOM 675 O LEU A 442 -9.268 10.939 82.666 1.00 19.35 O ATOM 676 CB LEU A 442 -9.887 11.356 85.663 1.00 18.46 C ATOM 677 CG LEU A 442 -9.910 11.359 87.141 1.00 18.99 C ATOM 678 CD1 LEU A 442 -10.823 12.484 87.572 1.00 18.59 C ATOM 679 CD2 LEU A 442 -10.367 10.024 87.739 1.00 18.60 C ATOM 680 H LEU A 442 -7.451 11.894 84.354 1.00 0.00 H ATOM 681 N ILE A 443 -9.939 8.938 83.443 1.00 17.64 N ATOM 682 CA ILE A 443 -10.542 8.449 82.197 1.00 18.60 C ATOM 683 C ILE A 443 -12.011 8.131 82.442 1.00 19.87 C ATOM 684 O ILE A 443 -12.331 7.247 83.280 1.00 21.02 O ATOM 685 CB ILE A 443 -9.781 7.175 81.690 1.00 20.17 C ATOM 686 CG1 ILE A 443 -8.332 7.529 81.337 1.00 23.05 C ATOM 687 CG2 ILE A 443 -10.434 6.610 80.443 1.00 22.81 C ATOM 688 CD1 ILE A 443 -7.358 7.329 82.424 1.00 27.02 C ATOM 689 H ILE A 443 -9.945 8.302 84.266 1.00 0.00 H ATOM 690 N LEU A 444 -12.895 8.848 81.768 1.00 17.35 N ATOM 691 CA LEU A 444 -14.332 8.622 81.834 1.00 17.11 C ATOM 692 C LEU A 444 -14.772 7.874 80.593 1.00 16.75 C ATOM 693 O LEU A 444 -14.675 8.385 79.471 1.00 17.40 O ATOM 694 CB LEU A 444 -15.053 9.967 81.966 1.00 17.91 C ATOM 695 CG LEU A 444 -16.576 9.885 82.048 1.00 18.57 C ATOM 696 CD1 LEU A 444 -16.945 9.194 83.346 1.00 18.90 C ATOM 697 CD2 LEU A 444 -17.191 11.269 81.995 1.00 21.57 C ATOM 698 H LEU A 444 -12.545 9.614 81.158 1.00 0.00 H ATOM 699 N TYR A 445 -15.264 6.657 80.810 1.00 17.38 N ATOM 700 CA TYR A 445 -15.741 5.833 79.709 1.00 18.51 C ATOM 701 C TYR A 445 -16.998 6.409 79.082 1.00 18.20 C ATOM 702 O TYR A 445 -17.682 7.231 79.702 1.00 18.01 O ATOM 703 CB TYR A 445 -15.973 4.384 80.224 1.00 19.97 C ATOM 704 CG TYR A 445 -14.640 3.660 80.397 1.00 20.76 C ATOM 705 CD1 TYR A 445 -13.713 4.053 81.352 1.00 24.11 C ATOM 706 CD2 TYR A 445 -14.273 2.660 79.518 1.00 21.35 C ATOM 707 CE1 TYR A 445 -12.457 3.437 81.443 1.00 24.53 C ATOM 708 CE2 TYR A 445 -13.050 2.030 79.608 1.00 23.17 C ATOM 709 CZ TYR A 445 -12.134 2.433 80.541 1.00 25.31 C ATOM 710 OH TYR A 445 -10.909 1.791 80.570 1.00 27.12 O ATOM 711 HH TYR A 445 -10.350 2.181 81.288 1.00 0.00 H ATOM 712 H TYR A 445 -15.308 6.289 81.782 1.00 0.00 H ATOM 713 N ASN A 446 -17.332 5.968 77.868 1.00 18.84 N ATOM 714 CA ASN A 446 -18.464 6.588 77.181 1.00 18.95 C ATOM 715 C ASN A 446 -19.838 6.216 77.731 1.00 19.99 C ATOM 716 O ASN A 446 -20.825 6.745 77.260 1.00 23.10 O ATOM 717 CB ASN A 446 -18.381 6.414 75.660 1.00 18.24 C ATOM 718 CG ASN A 446 -18.658 4.989 75.202 1.00 20.28 C ATOM 719 OD1 ASN A 446 -19.185 4.158 75.947 1.00 21.16 O ATOM 720 ND2 ASN A 446 -18.322 4.708 73.951 1.00 20.33 N ATOM 721 HD22 ASN A 446 -17.880 5.437 73.355 1.00 0.00 H ATOM 722 HD21 ASN A 446 -18.501 3.759 73.565 1.00 0.00 H ATOM 723 H ASN A 446 -16.797 5.198 77.419 1.00 0.00 H ATOM 724 N ASP A 447 -19.907 5.400 78.795 1.00 18.81 N ATOM 725 CA ASP A 447 -21.182 5.223 79.488 1.00 20.05 C ATOM 726 C ASP A 447 -21.505 6.379 80.429 1.00 21.27 C ATOM 727 O ASP A 447 -22.611 6.443 80.969 1.00 22.65 O ATOM 728 CB ASP A 447 -21.240 3.857 80.193 1.00 18.76 C ATOM 729 CG ASP A 447 -20.286 3.735 81.388 1.00 18.92 C ATOM 730 OD1 ASP A 447 -19.710 4.744 81.863 1.00 19.18 O ATOM 731 OD2 ASP A 447 -20.156 2.585 81.890 1.00 18.31 O ATOM 732 H ASP A 447 -19.058 4.897 79.124 1.00 0.00 H ATOM 733 N GLY A 448 -20.561 7.311 80.603 1.00 20.72 N ATOM 734 CA GLY A 448 -20.787 8.505 81.403 1.00 21.33 C ATOM 735 C GLY A 448 -20.603 8.360 82.900 1.00 22.50 C ATOM 736 O GLY A 448 -20.781 9.337 83.629 1.00 24.93 O ATOM 737 H GLY A 448 -19.634 7.177 80.151 1.00 0.00 H ATOM 738 N ASP A 449 -20.252 7.175 83.381 1.00 22.61 N ATOM 739 CA ASP A 449 -20.104 7.000 84.825 1.00 20.89 C ATOM 740 C ASP A 449 -18.857 6.218 85.166 1.00 20.02 C ATOM 741 O ASP A 449 -18.170 6.521 86.146 1.00 22.22 O ATOM 742 CB ASP A 449 -21.337 6.333 85.467 1.00 23.61 C ATOM 743 CG ASP A 449 -21.284 6.388 87.004 1.00 28.09 C ATOM 744 OD1 ASP A 449 -20.628 7.306 87.545 1.00 28.09 O ATOM 745 OD2 ASP A 449 -21.884 5.527 87.696 1.00 30.78 O ATOM 746 H ASP A 449 -20.083 6.377 82.736 1.00 0.00 H ATOM 747 N SER A 450 -18.556 5.203 84.373 1.00 20.21 N ATOM 748 CA SER A 450 -17.414 4.361 84.676 1.00 20.40 C ATOM 749 C SER A 450 -16.106 5.111 84.504 1.00 19.57 C ATOM 750 O SER A 450 -15.890 5.827 83.535 1.00 18.80 O ATOM 751 CB SER A 450 -17.466 3.113 83.804 1.00 20.25 C ATOM 752 OG SER A 450 -18.669 2.368 84.066 1.00 20.47 O ATOM 753 HG SER A 450 -19.456 2.934 83.867 1.00 0.00 H ATOM 754 H SER A 450 -19.138 5.009 83.533 1.00 0.00 H ATOM 755 N LEU A 451 -15.221 4.942 85.465 1.00 21.47 N ATOM 756 CA LEU A 451 -14.052 5.791 85.610 1.00 20.73 C ATOM 757 C LEU A 451 -12.821 5.008 85.946 1.00 22.50 C ATOM 758 O LEU A 451 -12.868 4.080 86.746 1.00 22.55 O ATOM 759 CB LEU A 451 -14.309 6.725 86.770 1.00 20.91 C ATOM 760 CG LEU A 451 -13.473 7.938 86.997 1.00 20.41 C ATOM 761 CD1 LEU A 451 -13.614 8.932 85.814 1.00 19.83 C ATOM 762 CD2 LEU A 451 -13.978 8.591 88.221 1.00 22.46 C ATOM 763 H LEU A 451 -15.365 4.170 86.147 1.00 0.00 H ATOM 764 N GLN A 452 -11.705 5.399 85.367 1.00 19.81 N ATOM 765 CA GLN A 452 -10.409 4.890 85.782 1.00 20.67 C ATOM 766 C GLN A 452 -9.549 6.060 86.231 1.00 19.84 C ATOM 767 O GLN A 452 -9.594 7.156 85.636 1.00 21.04 O ATOM 768 CB GLN A 452 -9.779 4.147 84.600 1.00 24.23 C ATOM 769 CG GLN A 452 -8.475 3.511 84.797 1.00 30.32 C ATOM 770 CD GLN A 452 -8.125 2.587 83.609 1.00 36.50 C ATOM 771 OE1 GLN A 452 -8.767 2.618 82.543 1.00 37.91 O ATOM 772 NE2 GLN A 452 -7.118 1.761 83.799 1.00 39.58 N ATOM 773 HE22 GLN A 452 -6.606 1.765 84.704 1.00 0.00 H ATOM 774 HE21 GLN A 452 -6.834 1.104 83.044 1.00 0.00 H ATOM 775 H GLN A 452 -11.752 6.091 84.592 1.00 0.00 H ATOM 776 N TYR A 453 -8.842 5.872 87.343 1.00 20.70 N ATOM 777 CA TYR A 453 -7.856 6.832 87.811 1.00 19.85 C ATOM 778 C TYR A 453 -6.475 6.219 87.690 1.00 21.66 C ATOM 779 O TYR A 453 -6.296 5.044 88.034 1.00 20.65 O ATOM 780 CB TYR A 453 -8.135 7.229 89.273 1.00 20.71 C ATOM 781 CG TYR A 453 -7.183 8.249 89.818 1.00 18.62 C ATOM 782 CD1 TYR A 453 -7.177 9.542 89.306 1.00 18.07 C ATOM 783 CD2 TYR A 453 -6.298 7.946 90.845 1.00 19.54 C ATOM 784 CE1 TYR A 453 -6.329 10.492 89.778 1.00 18.79 C ATOM 785 CE2 TYR A 453 -5.446 8.921 91.353 1.00 20.31 C ATOM 786 CZ TYR A 453 -5.486 10.203 90.820 1.00 21.80 C ATOM 787 OH TYR A 453 -4.673 11.212 91.276 1.00 22.44 O ATOM 788 HH TYR A 453 -4.859 12.040 90.766 1.00 0.00 H ATOM 789 H TYR A 453 -9.001 5.007 87.897 1.00 0.00 H ATOM 790 N ILE A 454 -5.525 6.999 87.170 1.00 20.36 N ATOM 791 CA ILE A 454 -4.154 6.542 86.970 1.00 19.87 C ATOM 792 C ILE A 454 -3.291 7.443 87.803 1.00 21.24 C ATOM 793 O ILE A 454 -3.249 8.658 87.587 1.00 22.33 O ATOM 794 CB ILE A 454 -3.702 6.610 85.491 1.00 21.24 C ATOM 795 CG1 ILE A 454 -4.801 6.092 84.560 1.00 22.69 C ATOM 796 CG2 ILE A 454 -2.338 5.910 85.327 1.00 23.30 C ATOM 797 CD1 ILE A 454 -5.044 4.650 84.585 1.00 26.25 C ATOM 798 H ILE A 454 -5.772 7.972 86.896 1.00 0.00 H ATOM 799 N GLU A 455 -2.616 6.863 88.776 1.00 22.92 N ATOM 800 CA GLU A 455 -1.731 7.615 89.636 1.00 25.23 C ATOM 801 C GLU A 455 -0.447 7.933 88.892 1.00 27.17 C ATOM 802 O GLU A 455 -0.217 7.454 87.780 1.00 25.58 O ATOM 803 CB GLU A 455 -1.421 6.789 90.885 1.00 25.80 C ATOM 804 CG GLU A 455 -2.618 6.621 91.823 1.00 26.96 C ATOM 805 CD GLU A 455 -2.375 5.606 92.897 1.00 29.21 C ATOM 806 OE1 GLU A 455 -1.450 5.808 93.709 1.00 32.08 O ATOM 807 OE2 GLU A 455 -3.121 4.597 92.921 1.00 29.61 O ATOM 808 H GLU A 455 -2.723 5.840 88.928 1.00 0.00 H ATOM 809 N ARG A 456 0.396 8.738 89.529 1.00 30.36 N ATOM 810 CA ARG A 456 1.627 9.196 88.911 1.00 30.86 C ATOM 811 C ARG A 456 2.499 8.019 88.450 1.00 31.05 C ATOM 812 O ARG A 456 3.030 8.049 87.344 1.00 29.18 O ATOM 813 CB ARG A 456 2.390 10.079 89.899 1.00 31.55 C ATOM 814 H ARG A 456 0.168 9.048 90.495 1.00 0.00 H ATOM 815 N ASP A 457 2.613 6.975 89.276 1.00 30.76 N ATOM 816 CA ASP A 457 3.463 5.823 88.949 1.00 30.41 C ATOM 817 C ASP A 457 2.763 4.838 88.023 1.00 29.61 C ATOM 818 O ASP A 457 3.330 3.798 87.669 1.00 30.14 O ATOM 819 CB ASP A 457 3.935 5.106 90.225 1.00 31.37 C ATOM 820 CG ASP A 457 2.818 4.346 90.938 1.00 32.79 C ATOM 821 OD1 ASP A 457 1.647 4.402 90.501 1.00 32.38 O ATOM 822 OD2 ASP A 457 3.120 3.688 91.959 1.00 35.87 O ATOM 823 H ASP A 457 2.087 6.978 90.173 1.00 0.00 H ATOM 824 N GLY A 458 1.529 5.148 87.639 1.00 29.78 N ATOM 825 CA GLY A 458 0.808 4.340 86.671 1.00 27.63 C ATOM 826 C GLY A 458 -0.202 3.389 87.276 1.00 27.24 C ATOM 827 O GLY A 458 -0.907 2.687 86.531 1.00 27.43 O ATOM 828 H GLY A 458 1.069 5.989 88.041 1.00 0.00 H ATOM 829 N THR A 459 -0.296 3.390 88.611 1.00 26.32 N ATOM 830 CA THR A 459 -1.225 2.514 89.311 1.00 27.02 C ATOM 831 C THR A 459 -2.649 2.860 88.901 1.00 25.73 C ATOM 832 O THR A 459 -3.078 4.029 88.949 1.00 25.74 O ATOM 833 CB THR A 459 -1.056 2.590 90.830 1.00 27.03 C ATOM 834 OG1 THR A 459 0.288 2.230 91.169 1.00 28.81 O ATOM 835 CG2 THR A 459 -2.008 1.615 91.523 1.00 28.90 C ATOM 836 HG1 THR A 459 0.917 2.857 90.731 1.00 0.00 H ATOM 837 H THR A 459 0.309 4.032 89.162 1.00 0.00 H ATOM 838 N GLU A 460 -3.384 1.835 88.495 1.00 27.27 N ATOM 839 CA GLU A 460 -4.728 2.026 87.961 1.00 27.61 C ATOM 840 C GLU A 460 -5.796 1.586 88.963 1.00 29.39 C ATOM 841 O GLU A 460 -5.654 0.549 89.607 1.00 31.53 O ATOM 842 CB GLU A 460 -4.880 1.238 86.664 1.00 28.77 C ATOM 843 CG GLU A 460 -3.720 1.503 85.685 1.00 30.30 C ATOM 844 CD GLU A 460 -3.986 1.063 84.273 1.00 31.32 C ATOM 845 OE1 GLU A 460 -5.073 0.505 84.017 1.00 32.47 O ATOM 846 OE2 GLU A 460 -3.096 1.286 83.420 1.00 31.61 O ATOM 847 H GLU A 460 -2.994 0.873 88.558 1.00 0.00 H ATOM 848 N SER A 461 -6.862 2.380 89.106 1.00 29.77 N ATOM 849 CA SER A 461 -8.042 1.901 89.835 1.00 29.66 C ATOM 850 C SER A 461 -9.300 2.280 89.103 1.00 28.87 C ATOM 851 O SER A 461 -9.274 3.146 88.218 1.00 29.59 O ATOM 852 CB SER A 461 -8.033 2.378 91.278 1.00 33.94 C ATOM 853 OG SER A 461 -7.733 3.733 91.365 1.00 35.97 O ATOM 854 HG SER A 461 -6.838 3.897 90.974 1.00 0.00 H ATOM 855 H SER A 461 -6.855 3.338 88.700 1.00 0.00 H ATOM 856 N TYR A 462 -10.372 1.595 89.440 1.00 31.19 N ATOM 857 CA TYR A 462 -11.647 1.664 88.776 1.00 34.83 C ATOM 858 C TYR A 462 -12.696 2.120 89.790 1.00 34.27 C ATOM 859 O TYR A 462 -12.691 1.709 90.966 1.00 35.00 O ATOM 860 CB TYR A 462 -12.001 0.285 88.211 1.00 39.55 C ATOM 861 H TYR A 462 -10.291 0.951 90.253 1.00 0.00 H ATOM 862 N LEU A 463 -13.604 2.966 89.341 1.00 32.87 N ATOM 863 CA LEU A 463 -14.571 3.589 90.209 1.00 32.16 C ATOM 864 C LEU A 463 -15.643 4.156 89.292 1.00 28.83 C ATOM 865 O LEU A 463 -15.714 3.817 88.103 1.00 27.44 O ATOM 866 CB LEU A 463 -13.906 4.683 91.068 1.00 32.02 C ATOM 867 CG LEU A 463 -13.128 5.804 90.379 1.00 32.08 C ATOM 868 CD1 LEU A 463 -13.166 7.097 91.226 1.00 32.05 C ATOM 869 CD2 LEU A 463 -11.711 5.421 90.147 1.00 32.70 C ATOM 870 H LEU A 463 -13.622 3.191 88.326 1.00 0.00 H ATOM 871 N THR A 464 -16.474 5.027 89.814 1.00 28.52 N ATOM 872 CA THR A 464 -17.444 5.693 88.991 1.00 26.74 C ATOM 873 C THR A 464 -17.485 7.127 89.453 1.00 25.73 C ATOM 874 O THR A 464 -17.056 7.475 90.574 1.00 26.07 O ATOM 875 CB THR A 464 -18.861 5.076 89.105 1.00 28.50 C ATOM 876 OG1 THR A 464 -19.306 5.159 90.471 1.00 31.27 O ATOM 877 CG2 THR A 464 -18.899 3.615 88.647 1.00 28.20 C ATOM 878 HG1 THR A 464 -20.211 4.765 90.546 1.00 0.00 H ATOM 879 H THR A 464 -16.430 5.237 90.832 1.00 0.00 H ATOM 880 N VAL A 465 -18.026 7.966 88.595 1.00 25.39 N ATOM 881 CA VAL A 465 -18.316 9.326 88.994 1.00 26.18 C ATOM 882 C VAL A 465 -19.234 9.322 90.224 1.00 28.60 C ATOM 883 O VAL A 465 -19.172 10.218 91.037 1.00 31.54 O ATOM 884 CB VAL A 465 -18.935 10.102 87.857 1.00 28.45 C ATOM 885 CG1 VAL A 465 -19.324 11.490 88.337 1.00 30.05 C ATOM 886 CG2 VAL A 465 -17.941 10.210 86.695 1.00 29.98 C ATOM 887 H VAL A 465 -18.245 7.651 87.629 1.00 0.00 H ATOM 888 N SER A 466 -20.087 8.311 90.325 1.00 28.31 N ATOM 889 CA SER A 466 -21.070 8.204 91.399 1.00 30.77 C ATOM 890 C SER A 466 -20.524 7.693 92.729 1.00 30.63 C ATOM 891 O SER A 466 -21.151 7.856 93.774 1.00 34.64 O ATOM 892 CB SER A 466 -22.192 7.252 90.964 1.00 32.83 C ATOM 893 OG SER A 466 -21.679 6.012 90.470 1.00 33.20 O ATOM 894 HG SER A 466 -21.098 6.185 89.687 1.00 0.00 H ATOM 895 H SER A 466 -20.054 7.560 89.606 1.00 0.00 H ATOM 896 N SER A 467 -19.387 7.027 92.695 1.00 24.34 N ATOM 897 CA SER A 467 -18.846 6.407 93.883 1.00 23.64 C ATOM 898 C SER A 467 -17.347 6.510 93.808 1.00 22.50 C ATOM 899 O SER A 467 -16.715 5.758 93.063 1.00 23.65 O ATOM 900 CB SER A 467 -19.301 4.948 93.939 1.00 24.65 C ATOM 901 OG SER A 467 -20.728 4.887 93.927 1.00 24.44 O ATOM 902 HG SER A 467 -21.085 5.373 94.713 1.00 0.00 H ATOM 903 H SER A 467 -18.870 6.946 91.796 1.00 0.00 H ATOM 904 N HIS A 468 -16.794 7.481 94.514 1.00 23.26 N ATOM 905 CA HIS A 468 -15.384 7.799 94.390 1.00 23.79 C ATOM 906 C HIS A 468 -14.864 8.196 95.765 1.00 21.43 C ATOM 907 O HIS A 468 -15.621 8.669 96.604 1.00 23.53 O ATOM 908 CB HIS A 468 -15.154 8.936 93.371 1.00 23.57 C ATOM 909 CG HIS A 468 -15.847 10.238 93.693 1.00 26.11 C ATOM 910 ND1 HIS A 468 -15.352 11.147 94.603 1.00 27.21 N ATOM 911 CD2 HIS A 468 -16.940 10.826 93.141 1.00 26.77 C ATOM 912 CE1 HIS A 468 -16.145 12.203 94.652 1.00 29.29 C ATOM 913 NE2 HIS A 468 -17.115 12.035 93.774 1.00 29.18 N ATOM 914 H HIS A 468 -17.383 8.029 95.173 1.00 0.00 H ATOM 915 N PRO A 469 -13.560 8.030 95.991 1.00 20.69 N ATOM 916 CA PRO A 469 -12.989 8.502 97.252 1.00 20.52 C ATOM 917 C PRO A 469 -13.134 10.022 97.360 1.00 18.99 C ATOM 918 O PRO A 469 -13.036 10.746 96.361 1.00 18.85 O ATOM 919 CB PRO A 469 -11.502 8.148 97.143 1.00 23.44 C ATOM 920 CG PRO A 469 -11.350 7.305 95.944 1.00 24.74 C ATOM 921 CD PRO A 469 -12.560 7.451 95.086 1.00 21.74 C ATOM 922 N ASN A 470 -13.329 10.533 98.568 1.00 17.79 N ATOM 923 CA ASN A 470 -13.444 11.953 98.724 1.00 19.32 C ATOM 924 C ASN A 470 -12.181 12.688 98.260 1.00 18.17 C ATOM 925 O ASN A 470 -12.231 13.843 97.829 1.00 18.71 O ATOM 926 CB ASN A 470 -13.742 12.313 100.166 1.00 25.06 C ATOM 927 CG ASN A 470 -14.128 13.743 100.284 1.00 33.00 C ATOM 928 OD1 ASN A 470 -14.981 14.217 99.533 1.00 37.12 O ATOM 929 ND2 ASN A 470 -13.447 14.468 101.137 1.00 36.57 N ATOM 930 HD22 ASN A 470 -12.737 14.019 101.750 1.00 0.00 H ATOM 931 HD21 ASN A 470 -13.617 15.492 101.201 1.00 0.00 H ATOM 932 H ASN A 470 -13.398 9.908 99.396 1.00 0.00 H ATOM 933 N SER A 471 -11.038 12.022 98.348 1.00 17.85 N ATOM 934 CA SER A 471 -9.803 12.657 97.952 1.00 18.62 C ATOM 935 C SER A 471 -9.787 13.057 96.464 1.00 17.42 C ATOM 936 O SER A 471 -9.016 13.935 96.054 1.00 20.80 O ATOM 937 CB SER A 471 -8.650 11.712 98.221 1.00 19.67 C ATOM 938 OG SER A 471 -8.806 10.554 97.421 1.00 19.12 O ATOM 939 HG SER A 471 -8.055 9.932 97.593 1.00 0.00 H ATOM 940 H SER A 471 -11.031 11.044 98.702 1.00 0.00 H ATOM 941 N LEU A 472 -10.648 12.433 95.665 1.00 16.32 N ATOM 942 CA LEU A 472 -10.712 12.690 94.216 1.00 17.55 C ATOM 943 C LEU A 472 -11.816 13.693 93.846 1.00 18.89 C ATOM 944 O LEU A 472 -12.031 13.983 92.667 1.00 18.14 O ATOM 945 CB LEU A 472 -10.887 11.378 93.437 1.00 18.99 C ATOM 946 CG LEU A 472 -9.620 10.543 93.313 1.00 20.41 C ATOM 947 CD1 LEU A 472 -9.921 9.227 92.592 1.00 20.72 C ATOM 948 CD2 LEU A 472 -8.527 11.309 92.584 1.00 23.10 C ATOM 949 H LEU A 472 -11.301 11.737 96.079 1.00 0.00 H ATOM 950 N MET A 473 -12.489 14.263 94.833 1.00 19.25 N ATOM 951 CA MET A 473 -13.605 15.153 94.549 1.00 20.35 C ATOM 952 C MET A 473 -13.230 16.311 93.618 1.00 18.73 C ATOM 953 O MET A 473 -13.938 16.601 92.658 1.00 18.28 O ATOM 954 CB MET A 473 -14.136 15.701 95.868 1.00 23.56 C ATOM 955 CG MET A 473 -15.293 16.678 95.726 1.00 28.09 C ATOM 956 SD MET A 473 -16.786 15.867 95.147 1.00 31.87 S ATOM 957 CE MET A 473 -17.452 15.312 96.706 1.00 32.07 C ATOM 958 H MET A 473 -12.218 14.073 95.819 1.00 0.00 H ATOM 959 N LYS A 474 -12.122 16.982 93.884 1.00 17.34 N ATOM 960 CA LYS A 474 -11.768 18.129 93.051 1.00 17.96 C ATOM 961 C LYS A 474 -11.453 17.714 91.604 1.00 15.63 C ATOM 962 O LYS A 474 -11.860 18.377 90.644 1.00 15.91 O ATOM 963 CB LYS A 474 -10.578 18.881 93.669 1.00 21.62 C ATOM 964 CG LYS A 474 -10.899 19.526 95.016 1.00 28.85 C ATOM 965 CD LYS A 474 -9.671 20.288 95.550 1.00 35.17 C ATOM 966 CE LYS A 474 -9.989 21.090 96.793 1.00 38.71 C ATOM 967 NZ LYS A 474 -10.437 20.249 97.933 1.00 43.04 N ATOM 968 HZ1 LYS A 474 -11.298 19.732 97.663 1.00 0.00 H ATOM 969 HZ2 LYS A 474 -9.687 19.572 98.179 1.00 0.00 H ATOM 970 HZ3 LYS A 474 -10.639 20.857 98.752 1.00 0.00 H ATOM 971 H LYS A 474 -11.511 16.697 94.676 1.00 0.00 H ATOM 972 N LYS A 475 -10.697 16.642 91.462 1.00 15.04 N ATOM 973 CA LYS A 475 -10.359 16.156 90.127 1.00 14.92 C ATOM 974 C LYS A 475 -11.590 15.698 89.359 1.00 14.92 C ATOM 975 O LYS A 475 -11.671 15.866 88.145 1.00 15.87 O ATOM 976 CB LYS A 475 -9.318 15.048 90.210 1.00 15.58 C ATOM 977 CG LYS A 475 -7.929 15.620 90.476 1.00 16.57 C ATOM 978 CD LYS A 475 -6.885 14.559 90.720 1.00 17.72 C ATOM 979 CE LYS A 475 -5.503 15.169 90.788 1.00 19.60 C ATOM 980 NZ LYS A 475 -4.476 14.225 91.304 1.00 22.48 N ATOM 981 HZ1 LYS A 475 -4.736 13.923 92.264 1.00 0.00 H ATOM 982 HZ2 LYS A 475 -4.425 13.395 90.680 1.00 0.00 H ATOM 983 HZ3 LYS A 475 -3.551 14.700 91.327 1.00 0.00 H ATOM 984 H LYS A 475 -10.341 16.142 92.302 1.00 0.00 H ATOM 985 N ILE A 476 -12.533 15.066 90.045 1.00 16.14 N ATOM 986 CA ILE A 476 -13.768 14.648 89.399 1.00 16.06 C ATOM 987 C ILE A 476 -14.596 15.845 88.955 1.00 16.47 C ATOM 988 O ILE A 476 -15.145 15.855 87.874 1.00 15.53 O ATOM 989 CB ILE A 476 -14.550 13.647 90.290 1.00 20.17 C ATOM 990 CG1 ILE A 476 -13.845 12.267 90.281 1.00 23.44 C ATOM 991 CG2 ILE A 476 -15.962 13.489 89.790 1.00 22.35 C ATOM 992 CD1 ILE A 476 -14.335 11.309 91.276 1.00 26.45 C ATOM 993 H ILE A 476 -12.388 14.867 91.055 1.00 0.00 H ATOM 994 N THR A 477 -14.672 16.885 89.789 1.00 16.03 N ATOM 995 CA THR A 477 -15.336 18.116 89.357 1.00 15.89 C ATOM 996 C THR A 477 -14.680 18.682 88.078 1.00 14.91 C ATOM 997 O THR A 477 -15.372 19.069 87.132 1.00 15.60 O ATOM 998 CB THR A 477 -15.341 19.169 90.479 1.00 18.84 C ATOM 999 OG1 THR A 477 -16.101 18.660 91.588 1.00 21.70 O ATOM 1000 CG2 THR A 477 -15.910 20.506 90.001 1.00 19.16 C ATOM 1001 HG1 THR A 477 -15.686 17.823 91.915 1.00 0.00 H ATOM 1002 H THR A 477 -14.261 16.821 90.742 1.00 0.00 H ATOM 1003 N LEU A 478 -13.353 18.743 88.072 1.00 14.16 N ATOM 1004 CA LEU A 478 -12.627 19.204 86.886 1.00 13.36 C ATOM 1005 C LEU A 478 -12.962 18.353 85.672 1.00 14.75 C ATOM 1006 O LEU A 478 -13.227 18.908 84.592 1.00 15.61 O ATOM 1007 CB LEU A 478 -11.124 19.231 87.140 1.00 14.73 C ATOM 1008 CG LEU A 478 -10.652 20.330 88.110 1.00 16.55 C ATOM 1009 CD1 LEU A 478 -9.254 20.101 88.575 1.00 16.25 C ATOM 1010 CD2 LEU A 478 -10.753 21.687 87.445 1.00 19.63 C ATOM 1011 H LEU A 478 -12.822 18.460 88.920 1.00 0.00 H ATOM 1012 N LEU A 479 -12.962 17.036 85.831 1.00 15.35 N ATOM 1013 CA LEU A 479 -13.292 16.215 84.682 1.00 16.59 C ATOM 1014 C LEU A 479 -14.714 16.491 84.208 1.00 16.10 C ATOM 1015 O LEU A 479 -14.950 16.537 83.005 1.00 16.92 O ATOM 1016 CB LEU A 479 -13.088 14.732 84.949 1.00 18.23 C ATOM 1017 CG LEU A 479 -13.257 13.954 83.634 1.00 19.38 C ATOM 1018 CD1 LEU A 479 -12.256 12.821 83.556 1.00 20.38 C ATOM 1019 CD2 LEU A 479 -14.676 13.419 83.467 1.00 19.24 C ATOM 1020 H LEU A 479 -12.733 16.606 86.750 1.00 0.00 H ATOM 1021 N LYS A 480 -15.656 16.703 85.114 1.00 15.85 N ATOM 1022 CA LYS A 480 -17.033 17.009 84.707 1.00 15.70 C ATOM 1023 C LYS A 480 -17.092 18.292 83.882 1.00 16.15 C ATOM 1024 O LYS A 480 -17.805 18.365 82.885 1.00 17.18 O ATOM 1025 CB LYS A 480 -17.929 17.131 85.943 1.00 18.28 C ATOM 1026 CG LYS A 480 -18.312 15.806 86.618 1.00 20.45 C ATOM 1027 CD LYS A 480 -18.984 16.139 87.975 1.00 24.76 C ATOM 1028 CE LYS A 480 -19.609 14.986 88.711 1.00 30.47 C ATOM 1029 NZ LYS A 480 -20.305 15.530 89.921 1.00 32.83 N ATOM 1030 HZ1 LYS A 480 -19.613 16.012 90.530 1.00 0.00 H ATOM 1031 HZ2 LYS A 480 -21.037 16.206 89.624 1.00 0.00 H ATOM 1032 HZ3 LYS A 480 -20.746 14.748 90.447 1.00 0.00 H ATOM 1033 H LYS A 480 -15.418 16.652 86.125 1.00 0.00 H ATOM 1034 N TYR A 481 -16.336 19.304 84.299 1.00 14.71 N ATOM 1035 CA TYR A 481 -16.323 20.565 83.557 1.00 16.36 C ATOM 1036 C TYR A 481 -15.719 20.397 82.166 1.00 17.05 C ATOM 1037 O TYR A 481 -16.270 20.915 81.197 1.00 17.42 O ATOM 1038 CB TYR A 481 -15.590 21.654 84.353 1.00 18.33 C ATOM 1039 CG TYR A 481 -16.405 22.307 85.444 1.00 24.24 C ATOM 1040 CD1 TYR A 481 -17.580 22.990 85.129 1.00 31.48 C ATOM 1041 CD2 TYR A 481 -15.964 22.337 86.718 1.00 27.85 C ATOM 1042 CE1 TYR A 481 -18.307 23.609 86.091 1.00 33.83 C ATOM 1043 CE2 TYR A 481 -16.705 22.958 87.725 1.00 29.38 C ATOM 1044 CZ TYR A 481 -17.859 23.576 87.404 1.00 35.11 C ATOM 1045 OH TYR A 481 -18.543 24.187 88.413 1.00 40.37 O ATOM 1046 HH TYR A 481 -19.366 24.600 88.049 1.00 0.00 H ATOM 1047 H TYR A 481 -15.753 19.199 85.154 1.00 0.00 H ATOM 1048 N PHE A 482 -14.616 19.645 82.075 1.00 16.57 N ATOM 1049 CA PHE A 482 -14.022 19.386 80.769 1.00 15.98 C ATOM 1050 C PHE A 482 -15.008 18.594 79.890 1.00 18.08 C ATOM 1051 O PHE A 482 -15.177 18.893 78.700 1.00 18.79 O ATOM 1052 CB PHE A 482 -12.733 18.587 80.931 1.00 15.79 C ATOM 1053 CG PHE A 482 -11.501 19.385 81.232 1.00 16.26 C ATOM 1054 CD1 PHE A 482 -10.938 20.181 80.253 1.00 17.22 C ATOM 1055 CD2 PHE A 482 -10.835 19.244 82.443 1.00 16.50 C ATOM 1056 CE1 PHE A 482 -9.751 20.857 80.491 1.00 18.55 C ATOM 1057 CE2 PHE A 482 -9.660 19.880 82.684 1.00 16.80 C ATOM 1058 CZ PHE A 482 -9.123 20.732 81.720 1.00 18.24 C ATOM 1059 H PHE A 482 -14.184 19.247 82.933 1.00 0.00 H ATOM 1060 N ARG A 483 -15.638 17.570 80.460 1.00 18.99 N ATOM 1061 CA ARG A 483 -16.626 16.768 79.737 1.00 19.07 C ATOM 1062 C ARG A 483 -17.776 17.625 79.220 1.00 21.65 C ATOM 1063 O ARG A 483 -18.169 17.529 78.058 1.00 21.77 O ATOM 1064 CB ARG A 483 -17.168 15.679 80.657 1.00 22.61 C ATOM 1065 CG ARG A 483 -18.301 14.844 80.033 1.00 26.49 C ATOM 1066 CD ARG A 483 -19.667 15.221 80.652 1.00 31.56 C ATOM 1067 NE ARG A 483 -20.005 14.413 81.840 1.00 36.37 N ATOM 1068 CZ ARG A 483 -20.422 14.851 83.036 1.00 38.48 C ATOM 1069 NH1 ARG A 483 -20.552 16.142 83.333 1.00 38.07 N ATOM 1070 NH2 ARG A 483 -20.699 13.954 83.973 1.00 39.64 N ATOM 1071 HE ARG A 483 -19.908 13.383 81.737 1.00 0.00 H ATOM 1072 HH12 ARG A 483 -20.880 16.428 84.278 1.00 0.00 H ATOM 1073 HH11 ARG A 483 -20.326 16.865 82.620 1.00 0.00 H ATOM 1074 HH22 ARG A 483 -21.025 14.265 84.911 1.00 0.00 H ATOM 1075 HH21 ARG A 483 -20.591 12.940 83.770 1.00 0.00 H ATOM 1076 H ARG A 483 -15.422 17.332 81.449 1.00 0.00 H ATOM 1077 N ASN A 484 -18.289 18.498 80.073 1.00 21.08 N ATOM 1078 CA ASN A 484 -19.403 19.346 79.694 1.00 20.94 C ATOM 1079 C ASN A 484 -18.987 20.250 78.561 1.00 20.91 C ATOM 1080 O ASN A 484 -19.707 20.397 77.572 1.00 21.53 O ATOM 1081 CB ASN A 484 -19.852 20.190 80.896 1.00 21.93 C ATOM 1082 CG ASN A 484 -20.478 19.365 81.995 1.00 26.40 C ATOM 1083 OD1 ASN A 484 -20.818 18.197 81.818 1.00 27.98 O ATOM 1084 ND2 ASN A 484 -20.620 19.975 83.148 1.00 27.51 N ATOM 1085 HD22 ASN A 484 -20.318 20.965 83.253 1.00 0.00 H ATOM 1086 HD21 ASN A 484 -21.034 19.469 83.957 1.00 0.00 H ATOM 1087 H ASN A 484 -17.887 18.577 81.029 1.00 0.00 H ATOM 1088 N TYR A 485 -17.800 20.816 78.672 1.00 20.78 N ATOM 1089 CA TYR A 485 -17.368 21.766 77.660 1.00 18.89 C ATOM 1090 C TYR A 485 -17.228 21.065 76.301 1.00 19.72 C ATOM 1091 O TYR A 485 -17.698 21.579 75.277 1.00 19.33 O ATOM 1092 CB TYR A 485 -16.044 22.427 78.099 1.00 19.32 C ATOM 1093 CG TYR A 485 -15.659 23.597 77.199 1.00 18.61 C ATOM 1094 CD1 TYR A 485 -14.882 23.393 76.061 1.00 19.99 C ATOM 1095 CD2 TYR A 485 -16.074 24.890 77.487 1.00 21.08 C ATOM 1096 CE1 TYR A 485 -14.530 24.458 75.196 1.00 20.41 C ATOM 1097 CE2 TYR A 485 -15.742 25.946 76.643 1.00 20.46 C ATOM 1098 CZ TYR A 485 -14.971 25.720 75.502 1.00 22.10 C ATOM 1099 OH TYR A 485 -14.641 26.770 74.676 1.00 26.93 O ATOM 1100 HH TYR A 485 -14.096 26.435 73.921 1.00 0.00 H ATOM 1101 H TYR A 485 -17.180 20.585 79.475 1.00 0.00 H ATOM 1102 N MET A 486 -16.642 19.871 76.287 1.00 19.61 N ATOM 1103 CA MET A 486 -16.430 19.186 75.010 1.00 21.19 C ATOM 1104 C MET A 486 -17.691 18.493 74.514 1.00 21.25 C ATOM 1105 O MET A 486 -17.743 18.053 73.351 1.00 24.25 O ATOM 1106 CB MET A 486 -15.295 18.198 75.119 1.00 21.35 C ATOM 1107 CG MET A 486 -13.945 18.865 75.271 1.00 21.14 C ATOM 1108 SD MET A 486 -12.583 17.707 75.426 1.00 20.58 S ATOM 1109 CE MET A 486 -12.871 17.155 77.129 1.00 23.85 C ATOM 1110 H MET A 486 -16.337 19.427 77.176 1.00 0.00 H ATOM 1111 N SER A 487 -18.702 18.397 75.367 1.00 22.66 N ATOM 1112 CA SER A 487 -20.011 17.963 74.919 1.00 23.42 C ATOM 1113 C SER A 487 -20.734 19.082 74.143 1.00 21.70 C ATOM 1114 O SER A 487 -21.564 18.814 73.290 1.00 24.56 O ATOM 1115 CB SER A 487 -20.837 17.558 76.135 1.00 25.13 C ATOM 1116 OG SER A 487 -22.082 17.062 75.695 1.00 31.80 O ATOM 1117 HG SER A 487 -22.556 17.767 75.187 1.00 0.00 H ATOM 1118 H SER A 487 -18.554 18.636 76.368 1.00 0.00 H ATOM 1119 N GLU A 488 -20.385 20.336 74.442 1.00 20.59 N ATOM 1120 CA GLU A 488 -21.137 21.490 73.953 1.00 21.20 C ATOM 1121 C GLU A 488 -20.406 22.324 72.927 1.00 20.52 C ATOM 1122 O GLU A 488 -21.012 23.167 72.306 1.00 23.68 O ATOM 1123 CB GLU A 488 -21.552 22.407 75.122 1.00 25.27 C ATOM 1124 CG GLU A 488 -22.490 21.732 76.131 1.00 30.09 C ATOM 1125 CD GLU A 488 -23.748 21.193 75.461 1.00 36.07 C ATOM 1126 OE1 GLU A 488 -24.270 21.872 74.547 1.00 37.79 O ATOM 1127 OE2 GLU A 488 -24.193 20.081 75.825 1.00 40.23 O ATOM 1128 H GLU A 488 -19.551 20.497 75.042 1.00 0.00 H ATOM 1129 N HIS A 489 -19.112 22.112 72.769 1.00 18.14 N ATOM 1130 CA HIS A 489 -18.303 22.958 71.907 1.00 18.51 C ATOM 1131 C HIS A 489 -17.399 22.040 71.099 1.00 17.97 C ATOM 1132 O HIS A 489 -17.123 20.888 71.516 1.00 17.29 O ATOM 1133 CB HIS A 489 -17.375 23.869 72.720 1.00 19.92 C ATOM 1134 CG HIS A 489 -18.072 24.791 73.674 1.00 23.33 C ATOM 1135 ND1 HIS A 489 -18.464 24.411 74.939 1.00 24.19 N ATOM 1136 CD2 HIS A 489 -18.386 26.104 73.569 1.00 27.34 C ATOM 1137 CE1 HIS A 489 -19.029 25.433 75.554 1.00 24.76 C ATOM 1138 NE2 HIS A 489 -18.984 26.474 74.751 1.00 28.85 N ATOM 1139 H HIS A 489 -18.661 21.322 73.273 1.00 0.00 H ATOM 1140 N LEU A 490 -16.961 22.584 69.967 1.00 18.92 N ATOM 1141 CA LEU A 490 -15.899 22.033 69.130 1.00 18.39 C ATOM 1142 C LEU A 490 -16.374 20.904 68.216 1.00 18.07 C ATOM 1143 O LEU A 490 -17.381 20.250 68.446 1.00 20.53 O ATOM 1144 CB LEU A 490 -14.700 21.557 69.958 1.00 18.99 C ATOM 1145 CG LEU A 490 -14.211 22.496 71.074 1.00 19.48 C ATOM 1146 CD1 LEU A 490 -13.020 21.892 71.779 1.00 21.82 C ATOM 1147 CD2 LEU A 490 -13.894 23.927 70.542 1.00 21.60 C ATOM 1148 H LEU A 490 -17.409 23.469 69.654 1.00 0.00 H ATOM 1149 N LEU A 491 -15.644 20.721 67.132 1.00 18.15 N ATOM 1150 CA LEU A 491 -15.903 19.632 66.191 1.00 17.12 C ATOM 1151 C LEU A 491 -15.143 18.367 66.568 1.00 16.45 C ATOM 1152 O LEU A 491 -14.134 18.426 67.241 1.00 18.05 O ATOM 1153 CB LEU A 491 -15.497 20.089 64.788 1.00 18.83 C ATOM 1154 CG LEU A 491 -16.235 21.292 64.211 1.00 22.66 C ATOM 1155 CD1 LEU A 491 -15.753 21.705 62.808 1.00 24.41 C ATOM 1156 CD2 LEU A 491 -17.746 20.998 64.190 1.00 24.92 C ATOM 1157 H LEU A 491 -14.857 21.374 66.940 1.00 0.00 H ATOM 1158 N LYS A 492 -15.646 17.213 66.170 1.00 17.21 N ATOM 1159 CA LYS A 492 -14.960 15.953 66.413 1.00 17.00 C ATOM 1160 C LYS A 492 -14.089 15.632 65.245 1.00 15.89 C ATOM 1161 O LYS A 492 -14.589 15.447 64.136 1.00 17.11 O ATOM 1162 CB LYS A 492 -15.917 14.762 66.597 1.00 20.30 C ATOM 1163 CG LYS A 492 -16.491 14.590 67.928 1.00 22.71 C ATOM 1164 CD LYS A 492 -17.239 13.235 68.054 1.00 21.70 C ATOM 1165 CE LYS A 492 -16.324 12.037 68.330 1.00 22.61 C ATOM 1166 NZ LYS A 492 -17.180 10.806 68.375 1.00 22.57 N ATOM 1167 HZ1 LYS A 492 -17.886 10.903 69.133 1.00 0.00 H ATOM 1168 HZ2 LYS A 492 -17.664 10.688 67.462 1.00 0.00 H ATOM 1169 HZ3 LYS A 492 -16.582 9.976 68.561 1.00 0.00 H ATOM 1170 H LYS A 492 -16.557 17.204 65.669 1.00 0.00 H ATOM 1171 N ALA A 493 -12.793 15.491 65.497 1.00 16.04 N ATOM 1172 CA ALA A 493 -11.913 15.016 64.429 1.00 14.44 C ATOM 1173 C ALA A 493 -12.293 13.590 64.055 1.00 13.35 C ATOM 1174 O ALA A 493 -12.640 12.769 64.919 1.00 14.32 O ATOM 1175 CB ALA A 493 -10.481 15.064 64.846 1.00 15.72 C ATOM 1176 H ALA A 493 -12.410 15.714 66.438 1.00 0.00 H ATOM 1177 N GLY A 494 -12.265 13.282 62.769 1.00 13.82 N ATOM 1178 CA GLY A 494 -12.615 11.945 62.349 1.00 13.71 C ATOM 1179 C GLY A 494 -14.091 11.581 62.402 1.00 14.33 C ATOM 1180 O GLY A 494 -14.420 10.396 62.422 1.00 15.61 O ATOM 1181 H GLY A 494 -11.993 13.998 62.065 1.00 0.00 H ATOM 1182 N ALA A 495 -14.954 12.581 62.397 1.00 14.60 N ATOM 1183 CA ALA A 495 -16.385 12.367 62.560 1.00 16.05 C ATOM 1184 C ALA A 495 -16.969 11.592 61.394 1.00 17.21 C ATOM 1185 O ALA A 495 -18.053 11.024 61.477 1.00 18.81 O ATOM 1186 CB ALA A 495 -17.089 13.699 62.702 1.00 16.94 C ATOM 1187 H ALA A 495 -14.600 13.551 62.273 1.00 0.00 H ATOM 1188 N ASN A 496 -16.266 11.575 60.276 1.00 15.70 N ATOM 1189 CA ASN A 496 -16.733 10.834 59.105 1.00 16.90 C ATOM 1190 C ASN A 496 -16.542 9.319 59.232 1.00 17.65 C ATOM 1191 O ASN A 496 -17.133 8.561 58.466 1.00 19.48 O ATOM 1192 CB ASN A 496 -16.069 11.364 57.841 1.00 18.99 C ATOM 1193 CG ASN A 496 -14.576 11.280 57.904 1.00 22.20 C ATOM 1194 OD1 ASN A 496 -13.957 11.700 58.870 1.00 19.65 O ATOM 1195 ND2 ASN A 496 -13.978 10.710 56.854 1.00 25.49 N ATOM 1196 HD22 ASN A 496 -14.547 10.367 56.054 1.00 0.00 H ATOM 1197 HD21 ASN A 496 -12.943 10.609 56.837 1.00 0.00 H ATOM 1198 H ASN A 496 -15.367 12.096 60.228 1.00 0.00 H ATOM 1199 N ILE A 497 -15.728 8.860 60.178 1.00 17.04 N ATOM 1200 CA ILE A 497 -15.483 7.430 60.358 1.00 17.29 C ATOM 1201 C ILE A 497 -16.591 6.820 61.221 1.00 17.25 C ATOM 1202 O ILE A 497 -16.924 7.351 62.281 1.00 18.95 O ATOM 1203 CB ILE A 497 -14.093 7.202 60.995 1.00 17.90 C ATOM 1204 CG1 ILE A 497 -12.962 7.843 60.175 1.00 18.39 C ATOM 1205 CG2 ILE A 497 -13.861 5.730 61.249 1.00 17.76 C ATOM 1206 CD1 ILE A 497 -12.857 7.282 58.766 1.00 20.99 C ATOM 1207 H ILE A 497 -15.252 9.537 60.808 1.00 0.00 H ATOM 1208 N THR A 498 -17.085 5.665 60.799 1.00 18.21 N ATOM 1209 CA THR A 498 -18.173 4.981 61.504 1.00 19.51 C ATOM 1210 C THR A 498 -17.857 4.838 62.973 1.00 20.79 C ATOM 1211 O THR A 498 -16.771 4.400 63.325 1.00 20.46 O ATOM 1212 CB THR A 498 -18.353 3.582 60.926 1.00 22.76 C ATOM 1213 OG1 THR A 498 -18.552 3.699 59.521 1.00 26.17 O ATOM 1214 CG2 THR A 498 -19.561 2.845 61.517 1.00 23.42 C ATOM 1215 HG1 THR A 498 -17.763 4.136 59.112 1.00 0.00 H ATOM 1216 H THR A 498 -16.689 5.231 59.941 1.00 0.00 H ATOM 1217 N PRO A 499 -18.802 5.199 63.847 1.00 21.94 N ATOM 1218 CA PRO A 499 -18.589 4.901 65.269 1.00 23.49 C ATOM 1219 C PRO A 499 -18.448 3.407 65.510 1.00 26.47 C ATOM 1220 O PRO A 499 -19.205 2.622 64.949 1.00 27.36 O ATOM 1221 CB PRO A 499 -19.866 5.422 65.930 1.00 22.58 C ATOM 1222 CG PRO A 499 -20.415 6.413 64.995 1.00 23.38 C ATOM 1223 CD PRO A 499 -20.069 5.914 63.620 1.00 21.60 C ATOM 1224 N ARG A 500 -17.481 3.013 66.327 1.00 31.57 N ATOM 1225 CA ARG A 500 -17.165 1.601 66.462 1.00 38.54 C ATOM 1226 C ARG A 500 -18.237 0.944 67.306 1.00 42.62 C ATOM 1227 O ARG A 500 -18.728 1.533 68.278 1.00 41.80 O ATOM 1228 CB ARG A 500 -15.783 1.398 67.095 1.00 42.26 C ATOM 1229 H ARG A 500 -16.946 3.718 66.874 1.00 0.00 H ATOM 1230 N GLU A 501 -18.636 -0.251 66.871 1.00 46.49 N ATOM 1231 CA GLU A 501 -19.409 -1.171 67.684 1.00 49.31 C ATOM 1232 C GLU A 501 -18.410 -2.198 68.166 1.00 49.10 C ATOM 1233 O GLU A 501 -17.738 -2.867 67.366 1.00 50.93 O ATOM 1234 CB GLU A 501 -20.503 -1.856 66.863 1.00 52.05 C ATOM 1235 H GLU A 501 -18.381 -0.537 65.904 1.00 0.00 H ATOM 1236 N GLY A 502 -18.301 -2.304 69.477 1.00 46.89 N ATOM 1237 CA GLY A 502 -17.337 -3.184 70.101 1.00 44.43 C ATOM 1238 C GLY A 502 -17.533 -3.076 71.593 1.00 40.50 C ATOM 1239 O GLY A 502 -18.593 -2.659 72.049 1.00 40.91 O ATOM 1240 H GLY A 502 -18.929 -1.736 70.081 1.00 0.00 H ATOM 1241 N ASP A 503 -16.515 -3.432 72.359 1.00 35.47 N ATOM 1242 CA ASP A 503 -16.649 -3.451 73.804 1.00 32.03 C ATOM 1243 C ASP A 503 -16.306 -2.063 74.302 1.00 30.42 C ATOM 1244 O ASP A 503 -15.130 -1.701 74.355 1.00 29.04 O ATOM 1245 CB ASP A 503 -15.706 -4.538 74.344 1.00 30.95 C ATOM 1246 CG ASP A 503 -15.832 -4.775 75.814 1.00 30.59 C ATOM 1247 OD1 ASP A 503 -16.558 -4.019 76.517 1.00 29.64 O ATOM 1248 OD2 ASP A 503 -15.137 -5.720 76.235 1.00 29.66 O ATOM 1249 H ASP A 503 -15.610 -3.701 71.922 1.00 0.00 H ATOM 1250 N GLU A 504 -17.353 -1.302 74.647 1.00 27.79 N ATOM 1251 CA GLU A 504 -17.231 0.097 75.089 1.00 27.54 C ATOM 1252 C GLU A 504 -16.533 0.223 76.445 1.00 24.21 C ATOM 1253 O GLU A 504 -16.177 1.316 76.834 1.00 25.04 O ATOM 1254 CB GLU A 504 -18.624 0.752 75.206 1.00 32.06 C ATOM 1255 CG GLU A 504 -19.356 0.964 73.883 1.00 36.65 C ATOM 1256 CD GLU A 504 -20.419 -0.094 73.561 1.00 39.91 C ATOM 1257 OE1 GLU A 504 -20.426 -1.197 74.177 1.00 38.43 O ATOM 1258 OE2 GLU A 504 -21.251 0.194 72.658 1.00 41.93 O ATOM 1259 H GLU A 504 -18.303 -1.722 74.600 1.00 0.00 H ATOM 1260 N LEU A 505 -16.345 -0.881 77.176 1.00 23.90 N ATOM 1261 CA LEU A 505 -15.606 -0.835 78.424 1.00 24.27 C ATOM 1262 C LEU A 505 -14.265 -1.541 78.333 1.00 24.33 C ATOM 1263 O LEU A 505 -13.545 -1.590 79.311 1.00 25.23 O ATOM 1264 CB LEU A 505 -16.409 -1.478 79.569 1.00 26.90 C ATOM 1265 CG LEU A 505 -17.488 -0.642 80.224 1.00 30.17 C ATOM 1266 CD1 LEU A 505 -16.947 0.675 80.740 1.00 30.20 C ATOM 1267 CD2 LEU A 505 -18.667 -0.468 79.296 1.00 34.72 C ATOM 1268 H LEU A 505 -16.735 -1.787 76.845 1.00 0.00 H ATOM 1269 N ALA A 506 -13.892 -2.045 77.157 1.00 24.18 N ATOM 1270 CA ALA A 506 -12.540 -2.567 77.014 1.00 23.16 C ATOM 1271 C ALA A 506 -11.557 -1.427 77.318 1.00 21.81 C ATOM 1272 O ALA A 506 -11.838 -0.269 77.063 1.00 21.95 O ATOM 1273 CB ALA A 506 -12.293 -3.138 75.590 1.00 24.81 C ATOM 1274 H ALA A 506 -14.555 -2.065 76.356 1.00 0.00 H ATOM 1275 N ARG A 507 -10.402 -1.772 77.882 1.00 23.94 N ATOM 1276 CA ARG A 507 -9.508 -0.800 78.475 1.00 23.78 C ATOM 1277 C ARG A 507 -9.156 0.264 77.457 1.00 21.40 C ATOM 1278 O ARG A 507 -8.690 -0.030 76.358 1.00 23.17 O ATOM 1279 CB ARG A 507 -8.244 -1.497 78.953 1.00 28.32 C ATOM 1280 H ARG A 507 -10.132 -2.776 77.897 1.00 0.00 H ATOM 1281 N LEU A 508 -9.402 1.511 77.830 1.00 20.19 N ATOM 1282 CA LEU A 508 -9.145 2.633 76.933 1.00 18.53 C ATOM 1283 C LEU A 508 -7.704 3.059 77.028 1.00 19.10 C ATOM 1284 O LEU A 508 -7.114 3.045 78.104 1.00 21.02 O ATOM 1285 CB LEU A 508 -10.006 3.837 77.312 1.00 20.51 C ATOM 1286 CG LEU A 508 -11.477 3.696 77.014 1.00 20.70 C ATOM 1287 CD1 LEU A 508 -12.234 4.837 77.677 1.00 20.62 C ATOM 1288 CD2 LEU A 508 -11.730 3.722 75.510 1.00 22.54 C ATOM 1289 H LEU A 508 -9.785 1.694 78.779 1.00 0.00 H ATOM 1290 N PRO A 509 -7.121 3.500 75.911 1.00 18.72 N ATOM 1291 CA PRO A 509 -5.807 4.129 76.047 1.00 18.09 C ATOM 1292 C PRO A 509 -5.977 5.472 76.734 1.00 18.25 C ATOM 1293 O PRO A 509 -7.053 6.071 76.627 1.00 20.12 O ATOM 1294 CB PRO A 509 -5.375 4.321 74.602 1.00 18.54 C ATOM 1295 CG PRO A 509 -6.661 4.556 73.866 1.00 19.62 C ATOM 1296 CD PRO A 509 -7.697 3.691 74.578 1.00 19.30 C ATOM 1297 N TYR A 510 -4.938 5.939 77.411 1.00 19.23 N ATOM 1298 CA TYR A 510 -4.986 7.249 78.065 1.00 18.68 C ATOM 1299 C TYR A 510 -3.846 8.106 77.518 1.00 17.83 C ATOM 1300 O TYR A 510 -2.912 7.605 76.879 1.00 19.14 O ATOM 1301 CB TYR A 510 -4.934 7.136 79.605 1.00 19.20 C ATOM 1302 CG TYR A 510 -3.726 6.433 80.181 1.00 19.15 C ATOM 1303 CD1 TYR A 510 -2.493 7.064 80.275 1.00 20.06 C ATOM 1304 CD2 TYR A 510 -3.830 5.138 80.682 1.00 21.60 C ATOM 1305 CE1 TYR A 510 -1.385 6.411 80.826 1.00 21.08 C ATOM 1306 CE2 TYR A 510 -2.743 4.495 81.226 1.00 22.44 C ATOM 1307 CZ TYR A 510 -1.529 5.130 81.298 1.00 21.04 C ATOM 1308 OH TYR A 510 -0.475 4.487 81.886 1.00 25.80 O ATOM 1309 HH TYR A 510 -0.701 4.277 82.827 1.00 0.00 H ATOM 1310 H TYR A 510 -4.073 5.365 77.479 1.00 0.00 H ATOM 1311 N LEU A 511 -3.924 9.403 77.774 1.00 16.56 N ATOM 1312 CA LEU A 511 -2.881 10.313 77.358 1.00 17.17 C ATOM 1313 C LEU A 511 -1.689 10.178 78.299 1.00 18.44 C ATOM 1314 O LEU A 511 -1.764 10.520 79.492 1.00 19.78 O ATOM 1315 CB LEU A 511 -3.411 11.747 77.369 1.00 16.25 C ATOM 1316 CG LEU A 511 -2.479 12.787 76.754 1.00 17.00 C ATOM 1317 CD1 LEU A 511 -2.187 12.490 75.286 1.00 18.46 C ATOM 1318 CD2 LEU A 511 -3.112 14.114 76.937 1.00 17.54 C ATOM 1319 H LEU A 511 -4.751 9.774 78.284 1.00 0.00 H ATOM 1320 N ARG A 512 -0.593 9.652 77.766 1.00 18.57 N ATOM 1321 CA ARG A 512 0.618 9.481 78.547 1.00 20.22 C ATOM 1322 C ARG A 512 1.337 10.816 78.723 1.00 21.12 C ATOM 1323 O ARG A 512 1.724 11.177 79.849 1.00 23.73 O ATOM 1324 CB ARG A 512 1.503 8.452 77.848 1.00 22.24 C ATOM 1325 CG ARG A 512 2.753 8.072 78.584 1.00 25.38 C ATOM 1326 CD ARG A 512 3.141 6.657 78.219 1.00 29.82 C ATOM 1327 NE ARG A 512 4.557 6.385 78.428 1.00 33.89 N ATOM 1328 CZ ARG A 512 5.092 5.165 78.412 1.00 34.80 C ATOM 1329 NH1 ARG A 512 4.321 4.094 78.223 1.00 35.76 N ATOM 1330 NH2 ARG A 512 6.400 5.013 78.600 1.00 34.78 N ATOM 1331 HE ARG A 512 5.189 7.193 78.600 1.00 0.00 H ATOM 1332 HH12 ARG A 512 4.744 3.144 78.211 1.00 0.00 H ATOM 1333 HH11 ARG A 512 3.296 4.208 78.087 1.00 0.00 H ATOM 1334 HH22 ARG A 512 6.820 4.062 78.588 1.00 0.00 H ATOM 1335 HH21 ARG A 512 7.003 5.846 78.759 1.00 0.00 H ATOM 1336 H ARG A 512 -0.602 9.357 76.769 1.00 0.00 H ATOM 1337 N THR A 513 1.514 11.536 77.616 1.00 20.82 N ATOM 1338 CA THR A 513 2.122 12.844 77.668 1.00 23.55 C ATOM 1339 C THR A 513 1.701 13.626 76.456 1.00 20.26 C ATOM 1340 O THR A 513 1.188 13.071 75.492 1.00 19.98 O ATOM 1341 CB THR A 513 3.646 12.774 77.778 1.00 30.59 C ATOM 1342 OG1 THR A 513 4.162 14.070 78.133 1.00 35.28 O ATOM 1343 CG2 THR A 513 4.255 12.323 76.525 1.00 29.90 C ATOM 1344 HG1 THR A 513 3.780 14.349 79.003 1.00 0.00 H ATOM 1345 H THR A 513 1.209 11.149 76.700 1.00 0.00 H ATOM 1346 N TRP A 514 1.862 14.937 76.551 1.00 18.65 N ATOM 1347 CA TRP A 514 1.586 15.818 75.436 1.00 18.84 C ATOM 1348 C TRP A 514 2.523 17.002 75.533 1.00 18.97 C ATOM 1349 O TRP A 514 3.120 17.277 76.593 1.00 20.15 O ATOM 1350 CB TRP A 514 0.130 16.296 75.465 1.00 19.76 C ATOM 1351 CG TRP A 514 -0.138 17.233 76.591 1.00 19.70 C ATOM 1352 CD1 TRP A 514 -0.325 16.928 77.908 1.00 20.07 C ATOM 1353 CD2 TRP A 514 -0.200 18.639 76.490 1.00 19.12 C ATOM 1354 NE1 TRP A 514 -0.546 18.073 78.635 1.00 22.05 N ATOM 1355 CE2 TRP A 514 -0.441 19.149 77.788 1.00 19.45 C ATOM 1356 CE3 TRP A 514 -0.076 19.539 75.422 1.00 20.14 C ATOM 1357 CZ2 TRP A 514 -0.572 20.518 78.033 1.00 22.00 C ATOM 1358 CZ3 TRP A 514 -0.189 20.884 75.681 1.00 23.92 C ATOM 1359 CH2 TRP A 514 -0.438 21.360 76.971 1.00 23.95 C ATOM 1360 HE1 TRP A 514 -0.757 18.117 79.652 1.00 0.00 H ATOM 1361 H TRP A 514 2.195 15.344 77.449 1.00 0.00 H ATOM 1362 N PHE A 515 2.676 17.693 74.417 1.00 18.17 N ATOM 1363 CA PHE A 515 3.321 19.003 74.432 1.00 17.56 C ATOM 1364 C PHE A 515 2.885 19.777 73.206 1.00 17.15 C ATOM 1365 O PHE A 515 2.273 19.204 72.291 1.00 17.70 O ATOM 1366 CB PHE A 515 4.861 18.892 74.500 1.00 19.02 C ATOM 1367 CG PHE A 515 5.496 18.256 73.296 1.00 19.28 C ATOM 1368 CD1 PHE A 515 5.830 19.008 72.186 1.00 19.47 C ATOM 1369 CD2 PHE A 515 5.771 16.913 73.289 1.00 19.91 C ATOM 1370 CE1 PHE A 515 6.434 18.409 71.104 1.00 18.27 C ATOM 1371 CE2 PHE A 515 6.369 16.320 72.220 1.00 19.83 C ATOM 1372 CZ PHE A 515 6.696 17.073 71.118 1.00 19.14 C ATOM 1373 H PHE A 515 2.333 17.299 73.518 1.00 0.00 H ATOM 1374 N ARG A 516 3.205 21.069 73.179 1.00 17.92 N ATOM 1375 CA ARG A 516 2.872 21.928 72.033 1.00 18.74 C ATOM 1376 C ARG A 516 4.115 22.587 71.520 1.00 19.11 C ATOM 1377 O ARG A 516 5.062 22.817 72.274 1.00 21.43 O ATOM 1378 CB ARG A 516 1.771 22.953 72.370 1.00 22.05 C ATOM 1379 CG ARG A 516 1.982 23.785 73.635 1.00 22.35 C ATOM 1380 CD ARG A 516 0.677 24.497 74.123 1.00 22.26 C ATOM 1381 NE ARG A 516 0.214 25.275 73.029 1.00 21.39 N ATOM 1382 CZ ARG A 516 -1.046 25.374 72.653 1.00 21.57 C ATOM 1383 NH1 ARG A 516 -2.042 24.847 73.394 1.00 22.50 N ATOM 1384 NH2 ARG A 516 -1.269 26.082 71.567 1.00 21.65 N ATOM 1385 HE ARG A 516 0.922 25.807 72.483 1.00 0.00 H ATOM 1386 HH12 ARG A 516 -3.029 24.937 73.078 1.00 0.00 H ATOM 1387 HH11 ARG A 516 -1.823 24.351 74.281 1.00 0.00 H ATOM 1388 HH22 ARG A 516 -2.240 26.201 71.214 1.00 0.00 H ATOM 1389 HH21 ARG A 516 -0.474 26.523 71.061 1.00 0.00 H ATOM 1390 H ARG A 516 3.705 21.483 73.992 1.00 0.00 H ATOM 1391 N THR A 517 4.120 22.850 70.222 1.00 17.59 N ATOM 1392 CA THR A 517 5.157 23.646 69.611 1.00 17.76 C ATOM 1393 C THR A 517 4.414 24.818 69.027 1.00 17.81 C ATOM 1394 O THR A 517 3.197 24.967 69.192 1.00 17.72 O ATOM 1395 CB THR A 517 5.828 22.868 68.456 1.00 16.83 C ATOM 1396 OG1 THR A 517 4.856 22.620 67.435 1.00 18.21 O ATOM 1397 CG2 THR A 517 6.425 21.550 68.927 1.00 19.94 C ATOM 1398 HG1 THR A 517 5.280 22.122 66.692 1.00 0.00 H ATOM 1399 H THR A 517 3.355 22.472 69.627 1.00 0.00 H ATOM 1400 N ARG A 518 5.115 25.661 68.301 1.00 19.08 N ATOM 1401 CA ARG A 518 4.470 26.784 67.635 1.00 18.72 C ATOM 1402 C ARG A 518 3.484 26.301 66.560 1.00 18.96 C ATOM 1403 O ARG A 518 2.503 26.978 66.268 1.00 21.51 O ATOM 1404 CB ARG A 518 5.530 27.720 67.030 1.00 21.42 C ATOM 1405 CG ARG A 518 4.984 28.739 66.047 1.00 25.77 C ATOM 1406 CD ARG A 518 4.130 29.738 66.736 1.00 29.18 C ATOM 1407 NE ARG A 518 3.383 30.573 65.805 1.00 30.98 N ATOM 1408 CZ ARG A 518 2.595 31.557 66.210 1.00 34.78 C ATOM 1409 NH1 ARG A 518 2.488 31.819 67.508 1.00 35.91 N ATOM 1410 NH2 ARG A 518 1.926 32.281 65.331 1.00 36.31 N ATOM 1411 HE ARG A 518 3.472 30.390 64.785 1.00 0.00 H ATOM 1412 HH12 ARG A 518 1.871 32.590 67.834 1.00 0.00 H ATOM 1413 HH11 ARG A 518 3.021 31.253 68.198 1.00 0.00 H ATOM 1414 HH22 ARG A 518 1.309 33.053 65.655 1.00 0.00 H ATOM 1415 HH21 ARG A 518 2.017 32.080 64.315 1.00 0.00 H ATOM 1416 H ARG A 518 6.141 25.524 68.201 1.00 0.00 H ATOM 1417 N SER A 519 3.730 25.139 65.964 1.00 18.19 N ATOM 1418 CA SER A 519 2.924 24.718 64.824 1.00 18.11 C ATOM 1419 C SER A 519 1.953 23.571 65.103 1.00 16.47 C ATOM 1420 O SER A 519 1.079 23.302 64.269 1.00 16.53 O ATOM 1421 CB SER A 519 3.840 24.321 63.672 1.00 20.15 C ATOM 1422 OG SER A 519 4.584 23.164 63.999 1.00 20.86 O ATOM 1423 HG SER A 519 5.137 23.344 64.800 1.00 0.00 H ATOM 1424 H SER A 519 4.498 24.529 66.311 1.00 0.00 H ATOM 1425 N ALA A 520 2.094 22.874 66.232 1.00 15.94 N ATOM 1426 CA ALA A 520 1.288 21.684 66.446 1.00 14.97 C ATOM 1427 C ALA A 520 1.126 21.321 67.912 1.00 14.71 C ATOM 1428 O ALA A 520 1.868 21.799 68.770 1.00 15.51 O ATOM 1429 CB ALA A 520 1.953 20.501 65.709 1.00 15.52 C ATOM 1430 H ALA A 520 2.777 23.181 66.954 1.00 0.00 H ATOM 1431 N ILE A 521 0.123 20.477 68.204 1.00 14.15 N ATOM 1432 CA ILE A 521 0.022 19.771 69.483 1.00 13.27 C ATOM 1433 C ILE A 521 0.337 18.300 69.227 1.00 13.28 C ATOM 1434 O ILE A 521 -0.077 17.754 68.200 1.00 15.07 O ATOM 1435 CB ILE A 521 -1.325 20.006 70.164 1.00 14.46 C ATOM 1436 CG1 ILE A 521 -1.341 19.363 71.552 1.00 15.10 C ATOM 1437 CG2 ILE A 521 -2.491 19.557 69.286 1.00 14.79 C ATOM 1438 CD1 ILE A 521 -2.515 19.821 72.408 1.00 17.75 C ATOM 1439 H ILE A 521 -0.616 20.318 67.489 1.00 0.00 H ATOM 1440 N ILE A 522 1.105 17.710 70.142 1.00 15.03 N ATOM 1441 CA ILE A 522 1.580 16.345 70.052 1.00 15.05 C ATOM 1442 C ILE A 522 1.019 15.564 71.241 1.00 15.87 C ATOM 1443 O ILE A 522 1.196 15.975 72.390 1.00 16.00 O ATOM 1444 CB ILE A 522 3.118 16.318 70.061 1.00 16.73 C ATOM 1445 CG1 ILE A 522 3.733 16.961 68.813 1.00 16.56 C ATOM 1446 CG2 ILE A 522 3.587 14.873 70.128 1.00 18.24 C ATOM 1447 CD1 ILE A 522 3.590 18.487 68.656 1.00 17.72 C ATOM 1448 H ILE A 522 1.382 18.267 70.976 1.00 0.00 H ATOM 1449 N LEU A 523 0.312 14.474 70.942 1.00 14.84 N ATOM 1450 CA LEU A 523 -0.431 13.700 71.917 1.00 14.91 C ATOM 1451 C LEU A 523 0.050 12.246 71.835 1.00 16.36 C ATOM 1452 O LEU A 523 -0.043 11.598 70.780 1.00 16.24 O ATOM 1453 CB LEU A 523 -1.931 13.805 71.573 1.00 14.88 C ATOM 1454 CG LEU A 523 -2.496 15.242 71.583 1.00 16.15 C ATOM 1455 CD1 LEU A 523 -3.664 15.435 70.631 1.00 18.85 C ATOM 1456 CD2 LEU A 523 -2.907 15.654 72.978 1.00 18.20 C ATOM 1457 H LEU A 523 0.292 14.160 69.951 1.00 0.00 H ATOM 1458 N HIS A 524 0.549 11.719 72.942 1.00 16.86 N ATOM 1459 CA HIS A 524 1.083 10.375 72.964 1.00 15.83 C ATOM 1460 C HIS A 524 0.171 9.509 73.846 1.00 16.66 C ATOM 1461 O HIS A 524 0.070 9.777 75.050 1.00 17.11 O ATOM 1462 CB HIS A 524 2.515 10.379 73.490 1.00 17.47 C ATOM 1463 CG HIS A 524 3.118 9.022 73.578 1.00 19.94 C ATOM 1464 ND1 HIS A 524 4.122 8.710 74.471 1.00 22.05 N ATOM 1465 CD2 HIS A 524 2.899 7.907 72.847 1.00 21.42 C ATOM 1466 CE1 HIS A 524 4.474 7.449 74.300 1.00 24.25 C ATOM 1467 NE2 HIS A 524 3.747 6.943 73.325 1.00 25.98 N ATOM 1468 H HIS A 524 0.557 12.284 73.815 1.00 0.00 H ATOM 1469 N LEU A 525 -0.510 8.531 73.225 1.00 16.31 N ATOM 1470 CA LEU A 525 -1.392 7.632 73.944 1.00 16.38 C ATOM 1471 C LEU A 525 -0.694 6.380 74.452 1.00 16.76 C ATOM 1472 O LEU A 525 0.328 5.942 73.926 1.00 17.65 O ATOM 1473 CB LEU A 525 -2.546 7.222 73.041 1.00 16.50 C ATOM 1474 CG LEU A 525 -3.395 8.359 72.476 1.00 18.07 C ATOM 1475 CD1 LEU A 525 -4.460 7.790 71.594 1.00 17.00 C ATOM 1476 CD2 LEU A 525 -3.976 9.225 73.552 1.00 21.14 C ATOM 1477 H LEU A 525 -0.401 8.415 72.197 1.00 0.00 H ATOM 1478 N SER A 526 -1.275 5.806 75.505 1.00 17.49 N ATOM 1479 CA SER A 526 -0.720 4.634 76.158 1.00 18.41 C ATOM 1480 C SER A 526 -0.713 3.382 75.289 1.00 19.81 C ATOM 1481 O SER A 526 0.002 2.422 75.617 1.00 22.05 O ATOM 1482 CB SER A 526 -1.469 4.340 77.451 1.00 17.81 C ATOM 1483 OG SER A 526 -2.832 4.086 77.217 1.00 18.96 O ATOM 1484 HG SER A 526 -2.923 3.302 76.619 1.00 0.00 H ATOM 1485 H SER A 526 -2.159 6.213 75.873 1.00 0.00 H ATOM 1486 N ASN A 527 -1.462 3.375 74.182 1.00 18.66 N ATOM 1487 CA ASN A 527 -1.395 2.244 73.250 1.00 17.27 C ATOM 1488 C ASN A 527 -0.262 2.415 72.236 1.00 18.91 C ATOM 1489 O ASN A 527 -0.144 1.629 71.297 1.00 19.39 O ATOM 1490 CB ASN A 527 -2.748 2.052 72.567 1.00 18.61 C ATOM 1491 CG ASN A 527 -3.132 3.238 71.673 1.00 17.32 C ATOM 1492 OD1 ASN A 527 -2.379 4.205 71.548 1.00 17.02 O ATOM 1493 ND2 ASN A 527 -4.320 3.175 71.083 1.00 18.26 N ATOM 1494 HD22 ASN A 527 -4.923 2.338 71.217 1.00 0.00 H ATOM 1495 HD21 ASN A 527 -4.647 3.962 70.487 1.00 0.00 H ATOM 1496 H ASN A 527 -2.095 4.175 73.980 1.00 0.00 H ATOM 1497 N GLY A 528 0.575 3.434 72.438 1.00 17.36 N ATOM 1498 CA GLY A 528 1.701 3.681 71.546 1.00 18.34 C ATOM 1499 C GLY A 528 1.464 4.681 70.435 1.00 17.50 C ATOM 1500 O GLY A 528 2.406 5.123 69.793 1.00 19.33 O ATOM 1501 H GLY A 528 0.421 4.066 73.250 1.00 0.00 H ATOM 1502 N SER A 529 0.208 4.995 70.169 1.00 17.13 N ATOM 1503 CA SER A 529 -0.098 5.946 69.115 1.00 15.41 C ATOM 1504 C SER A 529 0.406 7.348 69.447 1.00 15.91 C ATOM 1505 O SER A 529 0.387 7.756 70.599 1.00 16.96 O ATOM 1506 CB SER A 529 -1.606 5.989 68.864 1.00 16.80 C ATOM 1507 OG SER A 529 -2.060 4.799 68.215 1.00 20.07 O ATOM 1508 HG SER A 529 -3.037 4.857 68.067 1.00 0.00 H ATOM 1509 H SER A 529 -0.563 4.560 70.716 1.00 0.00 H ATOM 1510 N VAL A 530 0.819 8.073 68.401 1.00 14.28 N ATOM 1511 CA VAL A 530 1.201 9.472 68.489 1.00 13.89 C ATOM 1512 C VAL A 530 0.338 10.241 67.501 1.00 12.31 C ATOM 1513 O VAL A 530 0.315 9.905 66.315 1.00 14.13 O ATOM 1514 CB VAL A 530 2.697 9.671 68.194 1.00 15.72 C ATOM 1515 CG1 VAL A 530 3.035 11.151 68.195 1.00 17.40 C ATOM 1516 CG2 VAL A 530 3.512 8.975 69.261 1.00 17.27 C ATOM 1517 H VAL A 530 0.869 7.609 67.472 1.00 0.00 H ATOM 1518 N GLN A 531 -0.339 11.271 67.991 1.00 13.18 N ATOM 1519 CA GLN A 531 -1.166 12.098 67.138 1.00 12.86 C ATOM 1520 C GLN A 531 -0.562 13.501 67.122 1.00 14.27 C ATOM 1521 O GLN A 531 -0.189 14.054 68.170 1.00 14.25 O ATOM 1522 CB GLN A 531 -2.601 12.147 67.668 1.00 14.63 C ATOM 1523 CG GLN A 531 -3.542 12.983 66.796 1.00 14.21 C ATOM 1524 CD GLN A 531 -4.971 12.810 67.188 1.00 12.78 C ATOM 1525 OE1 GLN A 531 -5.355 11.756 67.751 1.00 14.76 O ATOM 1526 NE2 GLN A 531 -5.779 13.818 66.926 1.00 13.87 N ATOM 1527 HE22 GLN A 531 -5.412 14.671 66.457 1.00 0.00 H ATOM 1528 HE21 GLN A 531 -6.784 13.761 67.188 1.00 0.00 H ATOM 1529 H GLN A 531 -0.275 11.488 69.006 1.00 0.00 H ATOM 1530 N ILE A 532 -0.503 14.071 65.925 1.00 12.66 N ATOM 1531 CA ILE A 532 0.046 15.413 65.746 1.00 14.23 C ATOM 1532 C ILE A 532 -0.995 16.220 64.977 1.00 12.16 C ATOM 1533 O ILE A 532 -1.321 15.859 63.837 1.00 13.85 O ATOM 1534 CB ILE A 532 1.383 15.397 64.987 1.00 14.92 C ATOM 1535 CG1 ILE A 532 2.368 14.477 65.693 1.00 15.80 C ATOM 1536 CG2 ILE A 532 1.898 16.824 64.877 1.00 15.75 C ATOM 1537 CD1 ILE A 532 3.644 14.212 64.933 1.00 15.84 C ATOM 1538 H ILE A 532 -0.855 13.551 65.096 1.00 0.00 H ATOM 1539 N ASN A 533 -1.508 17.285 65.616 1.00 12.80 N ATOM 1540 CA ASN A 533 -2.472 18.171 64.969 1.00 12.98 C ATOM 1541 C ASN A 533 -1.799 19.488 64.665 1.00 14.88 C ATOM 1542 O ASN A 533 -1.305 20.134 65.592 1.00 15.12 O ATOM 1543 CB ASN A 533 -3.689 18.485 65.842 1.00 13.81 C ATOM 1544 CG ASN A 533 -4.598 17.294 66.136 1.00 13.71 C ATOM 1545 OD1 ASN A 533 -4.316 16.113 65.846 1.00 13.50 O ATOM 1546 ND2 ASN A 533 -5.743 17.637 66.725 1.00 14.41 N ATOM 1547 HD22 ASN A 533 -5.935 18.635 66.948 1.00 0.00 H ATOM 1548 HD21 ASN A 533 -6.445 16.907 66.962 1.00 0.00 H ATOM 1549 H ASN A 533 -1.212 17.483 66.593 1.00 0.00 H ATOM 1550 N PHE A 534 -1.786 19.855 63.382 1.00 14.05 N ATOM 1551 CA PHE A 534 -1.184 21.119 62.929 1.00 14.43 C ATOM 1552 C PHE A 534 -2.197 22.234 63.006 1.00 14.23 C ATOM 1553 O PHE A 534 -3.290 22.150 62.453 1.00 15.28 O ATOM 1554 CB PHE A 534 -0.649 20.953 61.511 1.00 15.33 C ATOM 1555 CG PHE A 534 0.479 19.993 61.413 1.00 15.71 C ATOM 1556 CD1 PHE A 534 1.777 20.393 61.681 1.00 16.27 C ATOM 1557 CD2 PHE A 534 0.244 18.667 61.090 1.00 15.91 C ATOM 1558 CE1 PHE A 534 2.806 19.489 61.593 1.00 17.40 C ATOM 1559 CE2 PHE A 534 1.253 17.774 61.019 1.00 18.01 C ATOM 1560 CZ PHE A 534 2.547 18.174 61.285 1.00 18.30 C ATOM 1561 H PHE A 534 -2.217 19.224 62.676 1.00 0.00 H ATOM 1562 N PHE A 535 -1.850 23.295 63.717 1.00 15.55 N ATOM 1563 CA PHE A 535 -2.801 24.348 64.035 1.00 18.18 C ATOM 1564 C PHE A 535 -3.238 25.124 62.820 1.00 18.65 C ATOM 1565 O PHE A 535 -4.414 25.458 62.676 1.00 20.56 O ATOM 1566 CB PHE A 535 -2.196 25.370 65.011 1.00 19.32 C ATOM 1567 CG PHE A 535 -1.793 24.817 66.342 1.00 18.67 C ATOM 1568 CD1 PHE A 535 -2.606 23.973 67.094 1.00 19.03 C ATOM 1569 CD2 PHE A 535 -0.565 25.149 66.867 1.00 18.45 C ATOM 1570 CE1 PHE A 535 -2.175 23.532 68.341 1.00 18.87 C ATOM 1571 CE2 PHE A 535 -0.154 24.683 68.081 1.00 19.19 C ATOM 1572 CZ PHE A 535 -0.960 23.883 68.827 1.00 17.72 C ATOM 1573 H PHE A 535 -0.871 23.378 64.057 1.00 0.00 H ATOM 1574 N GLN A 536 -2.310 25.428 61.931 1.00 18.96 N ATOM 1575 CA GLN A 536 -2.610 26.415 60.906 1.00 19.21 C ATOM 1576 C GLN A 536 -3.581 25.921 59.821 1.00 18.58 C ATOM 1577 O GLN A 536 -4.498 26.651 59.400 1.00 20.76 O ATOM 1578 CB GLN A 536 -1.315 26.877 60.279 1.00 23.45 C ATOM 1579 CG GLN A 536 -1.559 28.081 59.370 1.00 26.81 C ATOM 1580 CD GLN A 536 -2.062 27.677 58.028 1.00 31.20 C ATOM 1581 OE1 GLN A 536 -1.566 26.723 57.433 1.00 33.35 O ATOM 1582 NE2 GLN A 536 -3.032 28.427 57.508 1.00 33.84 N ATOM 1583 HE22 GLN A 536 -3.420 29.225 58.051 1.00 0.00 H ATOM 1584 HE21 GLN A 536 -3.401 28.215 56.559 1.00 0.00 H ATOM 1585 H GLN A 536 -1.378 24.968 61.963 1.00 0.00 H ATOM 1586 N ASP A 537 -3.374 24.689 59.362 1.00 16.87 N ATOM 1587 CA ASP A 537 -4.163 24.151 58.263 1.00 17.26 C ATOM 1588 C ASP A 537 -5.075 23.005 58.649 1.00 16.12 C ATOM 1589 O ASP A 537 -5.767 22.475 57.803 1.00 16.73 O ATOM 1590 CB ASP A 537 -3.263 23.733 57.092 1.00 19.50 C ATOM 1591 CG ASP A 537 -2.333 22.599 57.434 1.00 20.60 C ATOM 1592 OD1 ASP A 537 -2.449 21.996 58.521 1.00 17.74 O ATOM 1593 OD2 ASP A 537 -1.477 22.298 56.594 1.00 27.88 O ATOM 1594 H ASP A 537 -2.635 24.100 59.796 1.00 0.00 H ATOM 1595 N HIS A 538 -5.105 22.669 59.932 1.00 14.27 N ATOM 1596 CA HIS A 538 -6.029 21.664 60.471 1.00 13.22 C ATOM 1597 C HIS A 538 -5.745 20.237 60.002 1.00 12.71 C ATOM 1598 O HIS A 538 -6.543 19.334 60.242 1.00 14.32 O ATOM 1599 CB HIS A 538 -7.485 22.059 60.213 1.00 13.71 C ATOM 1600 CG HIS A 538 -7.749 23.483 60.561 1.00 14.73 C ATOM 1601 ND1 HIS A 538 -7.672 23.936 61.854 1.00 16.16 N ATOM 1602 CD2 HIS A 538 -7.990 24.574 59.788 1.00 15.98 C ATOM 1603 CE1 HIS A 538 -7.887 25.242 61.874 1.00 17.51 C ATOM 1604 NE2 HIS A 538 -8.091 25.649 60.632 1.00 17.37 N ATOM 1605 H HIS A 538 -4.445 23.138 60.584 1.00 0.00 H ATOM 1606 N THR A 539 -4.548 20.023 59.452 1.00 13.76 N ATOM 1607 CA THR A 539 -4.157 18.705 59.038 1.00 13.21 C ATOM 1608 C THR A 539 -3.622 17.943 60.254 1.00 12.81 C ATOM 1609 O THR A 539 -3.193 18.544 61.249 1.00 12.90 O ATOM 1610 CB THR A 539 -3.106 18.717 57.902 1.00 15.14 C ATOM 1611 OG1 THR A 539 -1.892 19.338 58.335 1.00 15.27 O ATOM 1612 CG2 THR A 539 -3.657 19.401 56.642 1.00 16.36 C ATOM 1613 HG1 THR A 539 -2.079 20.272 58.606 1.00 0.00 H ATOM 1614 H THR A 539 -3.892 20.819 59.322 1.00 0.00 H ATOM 1615 N LYS A 540 -3.698 16.614 60.203 1.00 11.84 N ATOM 1616 CA LYS A 540 -3.388 15.775 61.362 1.00 12.94 C ATOM 1617 C LYS A 540 -2.780 14.456 60.937 1.00 12.37 C ATOM 1618 O LYS A 540 -3.089 13.910 59.857 1.00 13.41 O ATOM 1619 CB LYS A 540 -4.624 15.487 62.222 1.00 13.02 C ATOM 1620 CG LYS A 540 -5.465 16.712 62.544 1.00 12.88 C ATOM 1621 CD LYS A 540 -6.725 16.389 63.341 1.00 13.61 C ATOM 1622 CE LYS A 540 -7.494 17.653 63.699 1.00 14.08 C ATOM 1623 NZ LYS A 540 -7.969 18.389 62.518 1.00 14.59 N ATOM 1624 HZ1 LYS A 540 -7.155 18.668 61.934 1.00 0.00 H ATOM 1625 HZ2 LYS A 540 -8.602 17.779 61.963 1.00 0.00 H ATOM 1626 HZ3 LYS A 540 -8.485 19.239 62.825 1.00 0.00 H ATOM 1627 H LYS A 540 -3.986 16.159 59.313 1.00 0.00 H ATOM 1628 N LEU A 541 -1.885 13.965 61.785 1.00 12.24 N ATOM 1629 CA LEU A 541 -1.345 12.613 61.648 1.00 12.34 C ATOM 1630 C LEU A 541 -1.679 11.793 62.873 1.00 13.03 C ATOM 1631 O LEU A 541 -1.628 12.308 63.993 1.00 13.35 O ATOM 1632 CB LEU A 541 0.175 12.657 61.572 1.00 13.75 C ATOM 1633 CG LEU A 541 0.811 13.395 60.424 1.00 16.76 C ATOM 1634 CD1 LEU A 541 2.328 13.376 60.600 1.00 17.53 C ATOM 1635 CD2 LEU A 541 0.462 12.784 59.130 1.00 18.36 C ATOM 1636 H LEU A 541 -1.557 14.561 62.572 1.00 0.00 H ATOM 1637 N ILE A 542 -2.038 10.525 62.637 1.00 12.85 N ATOM 1638 CA ILE A 542 -2.195 9.554 63.721 1.00 13.87 C ATOM 1639 C ILE A 542 -1.260 8.404 63.386 1.00 13.96 C ATOM 1640 O ILE A 542 -1.459 7.703 62.398 1.00 13.33 O ATOM 1641 CB ILE A 542 -3.629 9.040 63.847 1.00 13.13 C ATOM 1642 CG1 ILE A 542 -4.652 10.151 64.060 1.00 13.18 C ATOM 1643 CG2 ILE A 542 -3.692 8.040 65.014 1.00 13.83 C ATOM 1644 CD1 ILE A 542 -6.045 9.790 63.579 1.00 14.40 C ATOM 1645 H ILE A 542 -2.210 10.222 61.657 1.00 0.00 H ATOM 1646 N LEU A 543 -0.205 8.268 64.168 1.00 14.13 N ATOM 1647 CA LEU A 543 0.832 7.290 63.905 1.00 14.45 C ATOM 1648 C LEU A 543 0.690 6.124 64.869 1.00 14.82 C ATOM 1649 O LEU A 543 0.567 6.325 66.075 1.00 15.34 O ATOM 1650 CB LEU A 543 2.195 7.930 64.148 1.00 14.37 C ATOM 1651 CG LEU A 543 2.512 9.024 63.145 1.00 17.54 C ATOM 1652 CD1 LEU A 543 3.289 10.164 63.797 1.00 22.11 C ATOM 1653 CD2 LEU A 543 3.297 8.444 61.970 1.00 20.27 C ATOM 1654 H LEU A 543 -0.115 8.884 65.001 1.00 0.00 H ATOM 1655 N CYS A 544 0.715 4.912 64.334 1.00 14.63 N ATOM 1656 CA CYS A 544 0.619 3.719 65.177 1.00 15.81 C ATOM 1657 C CYS A 544 1.803 2.817 64.903 1.00 16.95 C ATOM 1658 O CYS A 544 1.964 2.341 63.770 1.00 18.16 O ATOM 1659 CB CYS A 544 -0.676 2.944 64.949 1.00 16.51 C ATOM 1660 SG CYS A 544 -0.651 1.352 65.881 1.00 18.48 S ATOM 1661 H CYS A 544 0.804 4.807 63.303 1.00 0.00 H ATOM 1662 N PRO A 545 2.614 2.532 65.937 1.00 16.47 N ATOM 1663 CA PRO A 545 3.806 1.717 65.714 1.00 18.27 C ATOM 1664 C PRO A 545 3.470 0.225 65.659 1.00 18.22 C ATOM 1665 O PRO A 545 4.326 -0.557 65.250 1.00 20.57 O ATOM 1666 CB PRO A 545 4.673 2.031 66.944 1.00 19.93 C ATOM 1667 CG PRO A 545 3.681 2.358 68.023 1.00 20.42 C ATOM 1668 CD PRO A 545 2.496 2.988 67.329 1.00 18.32 C ATOM 1669 N LEU A 546 2.263 -0.173 66.049 1.00 18.99 N ATOM 1670 CA LEU A 546 1.898 -1.584 66.031 1.00 18.78 C ATOM 1671 C LEU A 546 1.454 -1.971 64.627 1.00 19.41 C ATOM 1672 O LEU A 546 1.799 -3.046 64.111 1.00 21.55 O ATOM 1673 CB LEU A 546 0.766 -1.868 67.030 1.00 20.77 C ATOM 1674 CG LEU A 546 0.992 -1.361 68.464 1.00 24.88 C ATOM 1675 CD1 LEU A 546 -0.222 -1.648 69.362 1.00 25.70 C ATOM 1676 CD2 LEU A 546 2.247 -1.967 69.075 1.00 27.05 C ATOM 1677 H LEU A 546 1.570 0.532 66.371 1.00 0.00 H ATOM 1678 N MET A 547 0.672 -1.083 64.014 1.00 19.06 N ATOM 1679 CA MET A 547 0.291 -1.251 62.610 1.00 19.23 C ATOM 1680 C MET A 547 1.408 -0.757 61.686 1.00 18.30 C ATOM 1681 O MET A 547 1.384 -1.052 60.476 1.00 20.08 O ATOM 1682 CB MET A 547 -0.981 -0.450 62.288 1.00 18.48 C ATOM 1683 CG MET A 547 -2.261 -0.974 62.954 1.00 21.21 C ATOM 1684 SD MET A 547 -2.686 -2.552 62.178 1.00 25.35 S ATOM 1685 CE MET A 547 -2.043 -3.656 63.412 1.00 30.53 C ATOM 1686 H MET A 547 0.326 -0.256 64.542 1.00 0.00 H ATOM 1687 N ALA A 548 2.348 0.017 62.233 1.00 16.89 N ATOM 1688 CA ALA A 548 3.396 0.680 61.417 1.00 16.35 C ATOM 1689 C ALA A 548 2.732 1.467 60.307 1.00 16.44 C ATOM 1690 O ALA A 548 3.059 1.359 59.124 1.00 17.29 O ATOM 1691 CB ALA A 548 4.398 -0.352 60.864 1.00 20.31 C ATOM 1692 H ALA A 548 2.346 0.160 63.263 1.00 0.00 H ATOM 1693 N ALA A 549 1.796 2.303 60.726 1.00 15.46 N ATOM 1694 CA ALA A 549 0.902 3.030 59.834 1.00 15.91 C ATOM 1695 C ALA A 549 0.772 4.474 60.246 1.00 14.02 C ATOM 1696 O ALA A 549 1.025 4.845 61.397 1.00 15.65 O ATOM 1697 CB ALA A 549 -0.455 2.398 59.830 1.00 16.37 C ATOM 1698 H ALA A 549 1.692 2.450 61.750 1.00 0.00 H ATOM 1699 N VAL A 550 0.408 5.297 59.258 1.00 14.05 N ATOM 1700 CA VAL A 550 0.085 6.694 59.511 1.00 13.48 C ATOM 1701 C VAL A 550 -1.267 6.971 58.868 1.00 13.02 C ATOM 1702 O VAL A 550 -1.495 6.634 57.696 1.00 13.79 O ATOM 1703 CB VAL A 550 1.152 7.640 58.999 1.00 15.15 C ATOM 1704 CG1 VAL A 550 1.377 7.514 57.478 1.00 15.68 C ATOM 1705 CG2 VAL A 550 0.806 9.077 59.366 1.00 15.02 C ATOM 1706 H VAL A 550 0.354 4.931 58.286 1.00 0.00 H ATOM 1707 N THR A 551 -2.131 7.624 59.636 1.00 13.23 N ATOM 1708 CA THR A 551 -3.386 8.140 59.102 1.00 12.98 C ATOM 1709 C THR A 551 -3.195 9.622 58.894 1.00 12.67 C ATOM 1710 O THR A 551 -2.746 10.315 59.819 1.00 13.69 O ATOM 1711 CB THR A 551 -4.542 7.885 60.050 1.00 13.45 C ATOM 1712 OG1 THR A 551 -4.696 6.450 60.180 1.00 13.90 O ATOM 1713 CG2 THR A 551 -5.851 8.488 59.546 1.00 13.15 C ATOM 1714 HG1 THR A 551 -3.861 6.061 60.542 1.00 0.00 H ATOM 1715 H THR A 551 -1.908 7.771 60.641 1.00 0.00 H ATOM 1716 N TYR A 552 -3.471 10.093 57.669 1.00 12.02 N ATOM 1717 CA TYR A 552 -3.381 11.514 57.369 1.00 12.68 C ATOM 1718 C TYR A 552 -4.797 12.046 57.235 1.00 12.50 C ATOM 1719 O TYR A 552 -5.587 11.540 56.445 1.00 13.56 O ATOM 1720 CB TYR A 552 -2.615 11.710 56.068 1.00 14.21 C ATOM 1721 CG TYR A 552 -2.373 13.164 55.695 1.00 15.27 C ATOM 1722 CD1 TYR A 552 -2.044 14.105 56.660 1.00 17.34 C ATOM 1723 CD2 TYR A 552 -2.447 13.581 54.377 1.00 18.83 C ATOM 1724 CE1 TYR A 552 -1.789 15.425 56.332 1.00 18.09 C ATOM 1725 CE2 TYR A 552 -2.170 14.893 54.039 1.00 19.90 C ATOM 1726 CZ TYR A 552 -1.842 15.801 55.029 1.00 19.93 C ATOM 1727 OH TYR A 552 -1.629 17.118 54.675 1.00 23.59 O ATOM 1728 HH TYR A 552 -2.450 17.484 54.259 1.00 0.00 H ATOM 1729 H TYR A 552 -3.755 9.430 56.919 1.00 0.00 H ATOM 1730 N ILE A 553 -5.095 13.100 57.985 1.00 12.97 N ATOM 1731 CA ILE A 553 -6.351 13.818 57.833 1.00 12.26 C ATOM 1732 C ILE A 553 -5.980 15.141 57.149 1.00 14.71 C ATOM 1733 O ILE A 553 -5.283 15.975 57.751 1.00 14.44 O ATOM 1734 CB ILE A 553 -7.009 14.072 59.178 1.00 12.81 C ATOM 1735 CG1 ILE A 553 -7.216 12.743 59.906 1.00 15.02 C ATOM 1736 CG2 ILE A 553 -8.316 14.827 58.977 1.00 14.42 C ATOM 1737 CD1 ILE A 553 -7.917 12.863 61.305 1.00 14.52 C ATOM 1738 H ILE A 553 -4.412 13.421 58.701 1.00 0.00 H ATOM 1739 N ASP A 554 -6.471 15.348 55.940 1.00 14.04 N ATOM 1740 CA ASP A 554 -6.056 16.498 55.141 1.00 15.97 C ATOM 1741 C ASP A 554 -7.017 17.682 55.367 1.00 17.56 C ATOM 1742 O ASP A 554 -7.888 17.624 56.226 1.00 16.63 O ATOM 1743 CB ASP A 554 -5.866 16.099 53.671 1.00 17.69 C ATOM 1744 CG ASP A 554 -7.153 15.908 52.929 1.00 21.50 C ATOM 1745 OD1 ASP A 554 -8.235 16.200 53.482 1.00 21.77 O ATOM 1746 OD2 ASP A 554 -7.056 15.473 51.753 1.00 26.06 O ATOM 1747 H ASP A 554 -7.166 14.680 55.550 1.00 0.00 H ATOM 1748 N GLU A 555 -6.793 18.779 54.650 1.00 19.69 N ATOM 1749 CA GLU A 555 -7.510 20.032 54.881 1.00 21.82 C ATOM 1750 C GLU A 555 -9.002 19.902 54.542 1.00 24.93 C ATOM 1751 O GLU A 555 -9.826 20.691 55.028 1.00 27.04 O ATOM 1752 CB GLU A 555 -6.921 21.184 54.059 1.00 25.66 C ATOM 1753 CG GLU A 555 -5.527 21.534 54.413 1.00 30.32 C ATOM 1754 CD GLU A 555 -4.489 20.844 53.509 1.00 35.61 C ATOM 1755 OE1 GLU A 555 -4.705 19.639 53.124 1.00 34.45 O ATOM 1756 OE2 GLU A 555 -3.459 21.521 53.211 1.00 40.46 O ATOM 1757 H GLU A 555 -6.079 18.744 53.895 1.00 0.00 H ATOM 1758 N LYS A 556 -9.348 18.920 53.714 1.00 24.44 N ATOM 1759 CA LYS A 556 -10.757 18.670 53.377 1.00 25.97 C ATOM 1760 C LYS A 556 -11.371 17.600 54.278 1.00 22.99 C ATOM 1761 O LYS A 556 -12.504 17.195 54.077 1.00 25.60 O ATOM 1762 CB LYS A 556 -10.882 18.179 51.937 1.00 30.68 C ATOM 1763 H LYS A 556 -8.609 18.319 53.298 1.00 0.00 H ATOM 1764 N ARG A 557 -10.591 17.131 55.243 1.00 20.76 N ATOM 1765 CA ARG A 557 -11.029 16.102 56.185 1.00 18.70 C ATOM 1766 C ARG A 557 -11.128 14.712 55.586 1.00 18.14 C ATOM 1767 O ARG A 557 -11.753 13.836 56.164 1.00 17.71 O ATOM 1768 CB ARG A 557 -12.352 16.477 56.839 1.00 19.94 C ATOM 1769 CG ARG A 557 -12.266 17.776 57.551 1.00 20.46 C ATOM 1770 CD ARG A 557 -13.369 17.936 58.545 1.00 20.55 C ATOM 1771 NE ARG A 557 -13.193 19.188 59.260 1.00 21.79 N ATOM 1772 CZ ARG A 557 -14.112 20.141 59.360 1.00 21.25 C ATOM 1773 NH1 ARG A 557 -15.307 19.990 58.818 1.00 20.56 N ATOM 1774 NH2 ARG A 557 -13.834 21.245 60.036 1.00 22.18 N ATOM 1775 HE ARG A 557 -12.279 19.350 59.729 1.00 0.00 H ATOM 1776 HH12 ARG A 557 -16.017 20.745 58.905 1.00 0.00 H ATOM 1777 HH11 ARG A 557 -15.538 19.116 58.305 1.00 0.00 H ATOM 1778 HH22 ARG A 557 -14.547 21.997 60.120 1.00 0.00 H ATOM 1779 HH21 ARG A 557 -12.902 21.360 60.483 1.00 0.00 H ATOM 1780 H ARG A 557 -9.627 17.511 55.333 1.00 0.00 H ATOM 1781 N ASP A 558 -10.466 14.478 54.465 1.00 18.63 N ATOM 1782 CA ASP A 558 -10.304 13.107 54.023 1.00 19.00 C ATOM 1783 C ASP A 558 -9.366 12.424 55.025 1.00 18.56 C ATOM 1784 O ASP A 558 -8.423 13.034 55.490 1.00 20.74 O ATOM 1785 CB ASP A 558 -9.774 13.045 52.579 1.00 22.78 C ATOM 1786 CG ASP A 558 -10.847 13.387 51.540 1.00 25.47 C ATOM 1787 OD1 ASP A 558 -12.068 13.205 51.796 1.00 26.95 O ATOM 1788 OD2 ASP A 558 -10.464 13.832 50.447 1.00 27.89 O ATOM 1789 H ASP A 558 -10.069 15.263 53.911 1.00 0.00 H ATOM 1790 N PHE A 559 -9.652 11.164 55.345 1.00 16.92 N ATOM 1791 CA PHE A 559 -9.012 10.387 56.440 1.00 16.52 C ATOM 1792 C PHE A 559 -8.535 9.094 55.791 1.00 18.04 C ATOM 1793 O PHE A 559 -9.355 8.241 55.423 1.00 23.08 O ATOM 1794 CB PHE A 559 -10.111 10.093 57.472 1.00 17.31 C ATOM 1795 CG PHE A 559 -9.690 9.400 58.767 1.00 16.94 C ATOM 1796 CD1 PHE A 559 -9.394 8.042 58.808 1.00 18.27 C ATOM 1797 CD2 PHE A 559 -9.791 10.087 59.970 1.00 16.88 C ATOM 1798 CE1 PHE A 559 -9.099 7.423 60.024 1.00 18.64 C ATOM 1799 CE2 PHE A 559 -9.500 9.484 61.176 1.00 19.77 C ATOM 1800 CZ PHE A 559 -9.163 8.148 61.201 1.00 19.71 C ATOM 1801 H PHE A 559 -10.383 10.683 54.783 1.00 0.00 H ATOM 1802 N ARG A 560 -7.227 8.954 55.627 1.00 16.22 N ATOM 1803 CA ARG A 560 -6.662 7.794 54.919 1.00 16.85 C ATOM 1804 C ARG A 560 -5.497 7.241 55.650 1.00 13.51 C ATOM 1805 O ARG A 560 -4.655 7.984 56.137 1.00 14.13 O ATOM 1806 CB ARG A 560 -6.233 8.157 53.504 1.00 19.11 C ATOM 1807 CG ARG A 560 -7.416 8.548 52.680 1.00 25.00 C ATOM 1808 CD ARG A 560 -7.141 8.553 51.233 1.00 28.87 C ATOM 1809 NE ARG A 560 -8.339 9.003 50.534 1.00 31.12 N ATOM 1810 CZ ARG A 560 -9.193 8.211 49.897 1.00 32.96 C ATOM 1811 NH1 ARG A 560 -8.981 6.898 49.829 1.00 31.35 N ATOM 1812 NH2 ARG A 560 -10.258 8.752 49.306 1.00 35.27 N ATOM 1813 HE ARG A 560 -8.540 10.023 50.535 1.00 0.00 H ATOM 1814 HH12 ARG A 560 -9.657 6.287 49.327 1.00 0.00 H ATOM 1815 HH11 ARG A 560 -8.139 6.483 50.278 1.00 0.00 H ATOM 1816 HH22 ARG A 560 -10.937 8.146 48.803 1.00 0.00 H ATOM 1817 HH21 ARG A 560 -10.410 9.780 49.348 1.00 0.00 H ATOM 1818 H ARG A 560 -6.586 9.680 56.007 1.00 0.00 H ATOM 1819 N THR A 561 -5.476 5.921 55.768 1.00 14.22 N ATOM 1820 CA THR A 561 -4.446 5.236 56.533 1.00 14.23 C ATOM 1821 C THR A 561 -3.492 4.555 55.575 1.00 13.68 C ATOM 1822 O THR A 561 -3.920 3.775 54.719 1.00 15.36 O ATOM 1823 CB THR A 561 -5.045 4.192 57.492 1.00 15.07 C ATOM 1824 OG1 THR A 561 -6.015 4.833 58.327 1.00 16.48 O ATOM 1825 CG2 THR A 561 -3.979 3.577 58.309 1.00 15.39 C ATOM 1826 HG1 THR A 561 -6.731 5.220 57.763 1.00 0.00 H ATOM 1827 H THR A 561 -6.216 5.360 55.301 1.00 0.00 H ATOM 1828 N TYR A 562 -2.207 4.800 55.787 1.00 13.10 N ATOM 1829 CA TYR A 562 -1.127 4.267 54.933 1.00 13.50 C ATOM 1830 C TYR A 562 -0.149 3.428 55.707 1.00 14.32 C ATOM 1831 O TYR A 562 0.208 3.772 56.824 1.00 16.63 O ATOM 1832 CB TYR A 562 -0.342 5.432 54.326 1.00 14.85 C ATOM 1833 CG TYR A 562 -1.176 6.364 53.509 1.00 15.00 C ATOM 1834 CD1 TYR A 562 -1.463 6.091 52.190 1.00 15.85 C ATOM 1835 CD2 TYR A 562 -1.660 7.553 54.044 1.00 15.71 C ATOM 1836 CE1 TYR A 562 -2.230 6.951 51.410 1.00 16.05 C ATOM 1837 CE2 TYR A 562 -2.426 8.405 53.285 1.00 15.79 C ATOM 1838 CZ TYR A 562 -2.708 8.108 51.959 1.00 17.52 C ATOM 1839 OH TYR A 562 -3.462 9.008 51.217 1.00 19.58 O ATOM 1840 HH TYR A 562 -3.578 8.660 50.297 1.00 0.00 H ATOM 1841 H TYR A 562 -1.946 5.398 56.597 1.00 0.00 H ATOM 1842 N ARG A 563 0.295 2.319 55.121 1.00 15.41 N ATOM 1843 CA ARG A 563 1.418 1.611 55.722 1.00 17.37 C ATOM 1844 C ARG A 563 2.731 2.303 55.405 1.00 16.46 C ATOM 1845 O ARG A 563 3.045 2.605 54.242 1.00 17.21 O ATOM 1846 CB ARG A 563 1.472 0.134 55.336 1.00 21.39 C ATOM 1847 CG ARG A 563 1.261 -0.753 56.565 1.00 25.89 C ATOM 1848 CD ARG A 563 1.937 -2.075 56.443 1.00 26.77 C ATOM 1849 NE ARG A 563 1.434 -2.725 55.273 1.00 22.30 N ATOM 1850 CZ ARG A 563 2.048 -3.692 54.630 1.00 21.07 C ATOM 1851 NH1 ARG A 563 3.209 -4.162 55.065 1.00 21.96 N ATOM 1852 NH2 ARG A 563 1.485 -4.176 53.544 1.00 19.27 N ATOM 1853 HE ARG A 563 0.514 -2.409 54.904 1.00 0.00 H ATOM 1854 HH12 ARG A 563 3.686 -4.928 54.548 1.00 0.00 H ATOM 1855 HH11 ARG A 563 3.642 -3.765 55.923 1.00 0.00 H ATOM 1856 HH22 ARG A 563 1.949 -4.942 53.015 1.00 0.00 H ATOM 1857 HH21 ARG A 563 0.576 -3.793 53.214 1.00 0.00 H ATOM 1858 H ARG A 563 -0.151 1.964 54.251 1.00 0.00 H ATOM 1859 N LEU A 564 3.490 2.581 56.448 1.00 16.84 N ATOM 1860 CA LEU A 564 4.741 3.315 56.287 1.00 17.99 C ATOM 1861 C LEU A 564 5.720 2.614 55.341 1.00 19.29 C ATOM 1862 O LEU A 564 6.343 3.265 54.519 1.00 20.52 O ATOM 1863 CB LEU A 564 5.360 3.588 57.647 1.00 18.12 C ATOM 1864 CG LEU A 564 4.577 4.582 58.511 1.00 17.54 C ATOM 1865 CD1 LEU A 564 5.073 4.549 59.921 1.00 19.60 C ATOM 1866 CD2 LEU A 564 4.734 6.001 57.972 1.00 19.52 C ATOM 1867 H LEU A 564 3.193 2.273 57.396 1.00 0.00 H ATOM 1868 N SER A 565 5.811 1.291 55.424 1.00 20.04 N ATOM 1869 CA SER A 565 6.711 0.559 54.550 1.00 20.84 C ATOM 1870 C SER A 565 6.279 0.680 53.097 1.00 20.42 C ATOM 1871 O SER A 565 7.111 0.617 52.195 1.00 22.72 O ATOM 1872 CB SER A 565 6.757 -0.921 54.950 1.00 23.62 C ATOM 1873 OG SER A 565 5.517 -1.520 54.725 1.00 27.43 O ATOM 1874 HG SER A 565 4.827 -1.059 55.265 1.00 0.00 H ATOM 1875 H SER A 565 5.234 0.776 56.119 1.00 0.00 H ATOM 1876 N LEU A 566 4.984 0.868 52.843 1.00 19.66 N ATOM 1877 CA LEU A 566 4.532 0.981 51.462 1.00 18.46 C ATOM 1878 C LEU A 566 4.688 2.402 50.942 1.00 18.00 C ATOM 1879 O LEU A 566 4.809 2.619 49.746 1.00 19.41 O ATOM 1880 CB LEU A 566 3.081 0.513 51.308 1.00 18.17 C ATOM 1881 CG LEU A 566 2.879 -0.980 51.553 1.00 21.84 C ATOM 1882 CD1 LEU A 566 1.410 -1.278 51.337 1.00 23.00 C ATOM 1883 CD2 LEU A 566 3.758 -1.845 50.641 1.00 23.69 C ATOM 1884 H LEU A 566 4.301 0.934 53.625 1.00 0.00 H ATOM 1885 N LEU A 567 4.701 3.386 51.840 1.00 17.97 N ATOM 1886 CA LEU A 567 5.073 4.735 51.444 1.00 18.13 C ATOM 1887 C LEU A 567 6.541 4.724 50.980 1.00 19.15 C ATOM 1888 O LEU A 567 6.901 5.414 50.013 1.00 20.39 O ATOM 1889 CB LEU A 567 4.866 5.729 52.594 1.00 18.65 C ATOM 1890 CG LEU A 567 3.390 5.994 52.953 1.00 18.01 C ATOM 1891 CD1 LEU A 567 3.283 6.867 54.196 1.00 18.58 C ATOM 1892 CD2 LEU A 567 2.581 6.635 51.818 1.00 18.72 C ATOM 1893 H LEU A 567 4.444 3.189 52.828 1.00 0.00 H ATOM 1894 N GLU A 568 7.377 3.921 51.629 1.00 21.39 N ATOM 1895 CA GLU A 568 8.750 3.713 51.150 1.00 22.48 C ATOM 1896 C GLU A 568 8.800 3.181 49.729 1.00 21.90 C ATOM 1897 O GLU A 568 9.594 3.632 48.918 1.00 23.99 O ATOM 1898 CB GLU A 568 9.517 2.737 52.043 1.00 25.81 C ATOM 1899 CG GLU A 568 9.811 3.278 53.418 1.00 27.41 C ATOM 1900 CD GLU A 568 10.762 2.408 54.218 1.00 29.38 C ATOM 1901 OE1 GLU A 568 10.607 2.324 55.460 1.00 30.26 O ATOM 1902 OE2 GLU A 568 11.651 1.811 53.607 1.00 33.28 O ATOM 1903 H GLU A 568 7.055 3.433 52.489 1.00 0.00 H ATOM 1904 N GLU A 569 7.971 2.202 49.445 1.00 19.93 N ATOM 1905 CA GLU A 569 7.974 1.546 48.135 1.00 20.67 C ATOM 1906 C GLU A 569 7.348 2.399 47.068 1.00 20.39 C ATOM 1907 O GLU A 569 7.846 2.442 45.949 1.00 23.46 O ATOM 1908 CB GLU A 569 7.213 0.214 48.188 1.00 23.98 C ATOM 1909 CG GLU A 569 7.879 -0.938 48.992 1.00 30.75 C ATOM 1910 CD GLU A 569 9.158 -1.479 48.342 1.00 31.91 C ATOM 1911 OE1 GLU A 569 9.105 -2.351 47.418 1.00 32.61 O ATOM 1912 OE2 GLU A 569 10.226 -1.046 48.787 1.00 32.44 O ATOM 1913 H GLU A 569 7.295 1.885 50.169 1.00 0.00 H ATOM 1914 N TYR A 570 6.224 3.033 47.377 1.00 19.07 N ATOM 1915 CA TYR A 570 5.414 3.701 46.363 1.00 18.94 C ATOM 1916 C TYR A 570 5.519 5.229 46.339 1.00 18.95 C ATOM 1917 O TYR A 570 5.074 5.872 45.370 1.00 21.46 O ATOM 1918 CB TYR A 570 3.936 3.270 46.504 1.00 19.22 C ATOM 1919 CG TYR A 570 3.712 1.826 46.166 1.00 22.27 C ATOM 1920 CD1 TYR A 570 3.814 1.398 44.847 1.00 24.50 C ATOM 1921 CD2 TYR A 570 3.394 0.884 47.150 1.00 24.33 C ATOM 1922 CE1 TYR A 570 3.629 0.071 44.513 1.00 26.72 C ATOM 1923 CE2 TYR A 570 3.215 -0.440 46.827 1.00 26.29 C ATOM 1924 CZ TYR A 570 3.324 -0.840 45.501 1.00 27.91 C ATOM 1925 OH TYR A 570 3.131 -2.154 45.151 1.00 31.52 O ATOM 1926 HH TYR A 570 3.247 -2.254 44.173 1.00 0.00 H ATOM 1927 H TYR A 570 5.912 3.055 48.369 1.00 0.00 H ATOM 1928 N GLY A 571 6.085 5.821 47.381 1.00 19.02 N ATOM 1929 CA GLY A 571 6.205 7.261 47.459 1.00 19.23 C ATOM 1930 C GLY A 571 4.993 7.944 48.087 1.00 19.09 C ATOM 1931 O GLY A 571 3.958 7.328 48.349 1.00 18.10 O ATOM 1932 H GLY A 571 6.451 5.237 48.160 1.00 0.00 H ATOM 1933 N CYS A 572 5.103 9.258 48.257 1.00 19.52 N ATOM 1934 CA CYS A 572 3.964 10.064 48.662 1.00 19.90 C ATOM 1935 C CYS A 572 4.189 11.494 48.250 1.00 20.05 C ATOM 1936 O CYS A 572 5.299 11.892 47.873 1.00 20.05 O ATOM 1937 CB CYS A 572 3.699 9.984 50.183 1.00 20.79 C ATOM 1938 SG CYS A 572 4.979 10.706 51.221 1.00 20.67 S ATOM 1939 H CYS A 572 6.022 9.718 48.097 1.00 0.00 H ATOM 1940 N CYS A 573 3.122 12.266 48.309 1.00 19.83 N ATOM 1941 CA CYS A 573 3.197 13.673 47.966 1.00 18.84 C ATOM 1942 C CYS A 573 4.069 14.438 48.959 1.00 17.51 C ATOM 1943 O CYS A 573 4.298 13.991 50.093 1.00 17.67 O ATOM 1944 CB CYS A 573 1.785 14.266 47.886 1.00 20.38 C ATOM 1945 SG CYS A 573 0.882 14.407 49.523 1.00 21.68 S ATOM 1946 H CYS A 573 2.212 11.860 48.606 1.00 0.00 H ATOM 1947 N LYS A 574 4.520 15.607 48.525 1.00 18.98 N ATOM 1948 CA LYS A 574 5.400 16.432 49.330 1.00 19.84 C ATOM 1949 C LYS A 574 4.742 16.891 50.622 1.00 18.68 C ATOM 1950 O LYS A 574 5.423 17.030 51.606 1.00 19.55 O ATOM 1951 CB LYS A 574 5.917 17.624 48.515 1.00 23.84 C ATOM 1952 CG LYS A 574 4.879 18.600 48.053 1.00 29.22 C ATOM 1953 CD LYS A 574 5.546 19.710 47.209 1.00 33.30 C ATOM 1954 CE LYS A 574 4.576 20.813 46.801 1.00 36.01 C ATOM 1955 NZ LYS A 574 5.265 22.042 46.291 1.00 39.11 N ATOM 1956 HZ1 LYS A 574 5.884 22.425 47.034 1.00 0.00 H ATOM 1957 HZ2 LYS A 574 5.834 21.797 45.456 1.00 0.00 H ATOM 1958 HZ3 LYS A 574 4.553 22.754 46.030 1.00 0.00 H ATOM 1959 H LYS A 574 4.235 15.941 47.582 1.00 0.00 H ATOM 1960 N GLU A 575 3.425 17.043 50.635 1.00 19.63 N ATOM 1961 CA GLU A 575 2.726 17.519 51.816 1.00 21.07 C ATOM 1962 C GLU A 575 2.814 16.466 52.923 1.00 18.39 C ATOM 1963 O GLU A 575 3.142 16.761 54.072 1.00 18.69 O ATOM 1964 CB GLU A 575 1.260 17.808 51.474 1.00 24.32 C ATOM 1965 CG GLU A 575 1.024 18.993 50.572 1.00 27.36 C ATOM 1966 CD GLU A 575 1.410 18.753 49.082 1.00 31.64 C ATOM 1967 OE1 GLU A 575 1.453 17.600 48.583 1.00 27.36 O ATOM 1968 OE2 GLU A 575 1.660 19.761 48.390 1.00 37.20 O ATOM 1969 H GLU A 575 2.879 16.816 49.779 1.00 0.00 H ATOM 1970 N LEU A 576 2.523 15.228 52.573 1.00 16.46 N ATOM 1971 CA LEU A 576 2.614 14.172 53.564 1.00 16.53 C ATOM 1972 C LEU A 576 4.084 13.951 53.936 1.00 16.61 C ATOM 1973 O LEU A 576 4.382 13.726 55.098 1.00 16.42 O ATOM 1974 CB LEU A 576 1.940 12.890 53.078 1.00 16.49 C ATOM 1975 CG LEU A 576 1.984 11.699 54.021 1.00 17.87 C ATOM 1976 CD1 LEU A 576 1.416 12.057 55.392 1.00 17.90 C ATOM 1977 CD2 LEU A 576 1.210 10.498 53.446 1.00 18.08 C ATOM 1978 H LEU A 576 2.232 15.011 51.598 1.00 0.00 H ATOM 1979 N ALA A 577 4.991 13.992 52.954 1.00 16.98 N ATOM 1980 CA ALA A 577 6.402 13.772 53.275 1.00 15.85 C ATOM 1981 C ALA A 577 6.935 14.784 54.269 1.00 17.22 C ATOM 1982 O ALA A 577 7.671 14.441 55.201 1.00 16.65 O ATOM 1983 CB ALA A 577 7.245 13.806 52.010 1.00 18.32 C ATOM 1984 H ALA A 577 4.697 14.178 51.974 1.00 0.00 H ATOM 1985 N SER A 578 6.557 16.038 54.088 1.00 17.01 N ATOM 1986 CA SER A 578 6.975 17.091 55.000 1.00 17.60 C ATOM 1987 C SER A 578 6.452 16.848 56.410 1.00 16.85 C ATOM 1988 O SER A 578 7.179 16.990 57.392 1.00 17.86 O ATOM 1989 CB SER A 578 6.497 18.440 54.483 1.00 19.11 C ATOM 1990 OG SER A 578 6.829 19.462 55.397 1.00 22.72 O ATOM 1991 HG SER A 578 6.512 20.332 55.047 1.00 0.00 H ATOM 1992 H SER A 578 5.949 16.276 53.278 1.00 0.00 H ATOM 1993 N ARG A 579 5.181 16.469 56.522 1.00 15.96 N ATOM 1994 CA ARG A 579 4.625 16.176 57.830 1.00 14.52 C ATOM 1995 C ARG A 579 5.254 14.969 58.524 1.00 15.46 C ATOM 1996 O ARG A 579 5.371 14.954 59.739 1.00 15.69 O ATOM 1997 CB ARG A 579 3.117 16.078 57.710 1.00 16.33 C ATOM 1998 CG ARG A 579 2.493 17.452 57.455 1.00 17.71 C ATOM 1999 CD ARG A 579 1.077 17.352 56.961 1.00 18.86 C ATOM 2000 NE ARG A 579 0.492 18.681 56.743 1.00 19.17 N ATOM 2001 CZ ARG A 579 0.750 19.449 55.699 1.00 21.07 C ATOM 2002 NH1 ARG A 579 1.605 19.047 54.773 1.00 22.54 N ATOM 2003 NH2 ARG A 579 0.158 20.622 55.593 1.00 22.97 N ATOM 2004 HE ARG A 579 -0.170 19.042 57.459 1.00 0.00 H ATOM 2005 HH12 ARG A 579 1.806 19.654 53.952 1.00 0.00 H ATOM 2006 HH11 ARG A 579 2.076 18.124 54.866 1.00 0.00 H ATOM 2007 HH22 ARG A 579 0.356 21.232 54.774 1.00 0.00 H ATOM 2008 HH21 ARG A 579 -0.507 20.937 56.328 1.00 0.00 H ATOM 2009 H ARG A 579 4.587 16.383 55.673 1.00 0.00 H ATOM 2010 N LEU A 580 5.667 13.972 57.741 1.00 15.32 N ATOM 2011 CA LEU A 580 6.366 12.829 58.317 1.00 15.83 C ATOM 2012 C LEU A 580 7.795 13.196 58.789 1.00 15.17 C ATOM 2013 O LEU A 580 8.299 12.609 59.744 1.00 17.22 O ATOM 2014 CB LEU A 580 6.430 11.665 57.307 1.00 14.60 C ATOM 2015 CG LEU A 580 5.072 11.015 57.065 1.00 16.07 C ATOM 2016 CD1 LEU A 580 5.168 10.003 55.941 1.00 17.69 C ATOM 2017 CD2 LEU A 580 4.566 10.283 58.271 1.00 18.31 C ATOM 2018 H LEU A 580 5.490 14.010 56.717 1.00 0.00 H ATOM 2019 N ARG A 581 8.453 14.143 58.123 1.00 15.31 N ATOM 2020 CA ARG A 581 9.752 14.625 58.632 1.00 15.93 C ATOM 2021 C ARG A 581 9.522 15.327 59.983 1.00 18.27 C ATOM 2022 O ARG A 581 10.250 15.084 60.954 1.00 18.06 O ATOM 2023 CB ARG A 581 10.421 15.580 57.636 1.00 17.63 C ATOM 2024 CG ARG A 581 10.904 14.870 56.399 1.00 17.91 C ATOM 2025 CD ARG A 581 11.783 15.750 55.488 1.00 20.57 C ATOM 2026 NE ARG A 581 11.187 17.004 55.036 1.00 23.11 N ATOM 2027 CZ ARG A 581 10.458 17.160 53.932 1.00 22.71 C ATOM 2028 NH1 ARG A 581 10.190 16.146 53.127 1.00 21.89 N ATOM 2029 NH2 ARG A 581 10.020 18.368 53.614 1.00 24.92 N ATOM 2030 HE ARG A 581 11.345 17.846 55.625 1.00 0.00 H ATOM 2031 HH12 ARG A 581 9.618 16.298 52.272 1.00 0.00 H ATOM 2032 HH11 ARG A 581 10.551 15.196 53.349 1.00 0.00 H ATOM 2033 HH22 ARG A 581 9.450 18.505 52.755 1.00 0.00 H ATOM 2034 HH21 ARG A 581 10.246 19.180 54.223 1.00 0.00 H ATOM 2035 H ARG A 581 8.054 14.541 57.249 1.00 0.00 H ATOM 2036 N TYR A 582 8.472 16.152 60.071 1.00 16.25 N ATOM 2037 CA TYR A 582 8.171 16.844 61.310 1.00 16.31 C ATOM 2038 C TYR A 582 7.820 15.816 62.386 1.00 16.28 C ATOM 2039 O TYR A 582 8.205 15.945 63.554 1.00 17.45 O ATOM 2040 CB TYR A 582 7.006 17.808 61.106 1.00 16.47 C ATOM 2041 CG TYR A 582 6.809 18.764 62.268 1.00 18.27 C ATOM 2042 CD1 TYR A 582 7.545 19.961 62.346 1.00 20.05 C ATOM 2043 CD2 TYR A 582 5.864 18.524 63.255 1.00 17.60 C ATOM 2044 CE1 TYR A 582 7.358 20.834 63.379 1.00 22.01 C ATOM 2045 CE2 TYR A 582 5.679 19.397 64.286 1.00 18.21 C ATOM 2046 CZ TYR A 582 6.427 20.562 64.346 1.00 18.84 C ATOM 2047 OH TYR A 582 6.247 21.440 65.398 1.00 22.34 O ATOM 2048 HH TYR A 582 5.308 21.755 65.407 1.00 0.00 H ATOM 2049 H TYR A 582 7.864 16.299 59.240 1.00 0.00 H ATOM 2050 N ALA A 583 7.052 14.808 62.005 1.00 15.08 N ATOM 2051 CA ALA A 583 6.696 13.759 62.961 1.00 15.93 C ATOM 2052 C ALA A 583 7.913 13.112 63.602 1.00 15.97 C ATOM 2053 O ALA A 583 7.900 12.815 64.783 1.00 16.63 O ATOM 2054 CB ALA A 583 5.842 12.699 62.272 1.00 16.23 C ATOM 2055 H ALA A 583 6.702 14.761 61.027 1.00 0.00 H ATOM 2056 N ARG A 584 8.950 12.854 62.829 1.00 16.91 N ATOM 2057 CA ARG A 584 10.109 12.227 63.396 1.00 17.72 C ATOM 2058 C ARG A 584 10.748 13.130 64.452 1.00 19.26 C ATOM 2059 O ARG A 584 11.133 12.680 65.533 1.00 18.76 O ATOM 2060 CB ARG A 584 11.086 11.870 62.296 1.00 18.54 C ATOM 2061 CG ARG A 584 12.323 11.135 62.785 1.00 20.64 C ATOM 2062 CD ARG A 584 13.513 12.091 63.157 1.00 20.66 C ATOM 2063 NE ARG A 584 14.600 11.333 63.768 1.00 21.19 N ATOM 2064 CZ ARG A 584 15.369 10.492 63.078 1.00 21.79 C ATOM 2065 NH1 ARG A 584 15.164 10.377 61.774 1.00 21.51 N ATOM 2066 NH2 ARG A 584 16.320 9.770 63.688 1.00 23.73 N ATOM 2067 HE ARG A 584 14.782 11.454 64.785 1.00 0.00 H ATOM 2068 HH12 ARG A 584 15.750 9.728 61.211 1.00 0.00 H ATOM 2069 HH11 ARG A 584 14.417 10.936 61.314 1.00 0.00 H ATOM 2070 HH22 ARG A 584 16.912 9.118 63.136 1.00 0.00 H ATOM 2071 HH21 ARG A 584 16.465 9.862 64.714 1.00 0.00 H ATOM 2072 H ARG A 584 8.928 13.102 61.819 1.00 0.00 H ATOM 2073 N THR A 585 10.826 14.425 64.168 1.00 17.15 N ATOM 2074 CA THR A 585 11.381 15.353 65.154 1.00 17.92 C ATOM 2075 C THR A 585 10.534 15.370 66.430 1.00 18.50 C ATOM 2076 O THR A 585 11.063 15.465 67.533 1.00 20.06 O ATOM 2077 CB THR A 585 11.537 16.792 64.598 1.00 18.20 C ATOM 2078 OG1 THR A 585 10.258 17.330 64.240 1.00 18.27 O ATOM 2079 CG2 THR A 585 12.448 16.795 63.386 1.00 18.95 C ATOM 2080 HG1 THR A 585 9.843 16.759 63.546 1.00 0.00 H ATOM 2081 H THR A 585 10.494 14.778 63.248 1.00 0.00 H ATOM 2082 N MET A 586 9.219 15.254 66.297 1.00 17.58 N ATOM 2083 CA MET A 586 8.370 15.182 67.470 1.00 16.60 C ATOM 2084 C MET A 586 8.530 13.895 68.277 1.00 16.60 C ATOM 2085 O MET A 586 8.496 13.928 69.493 1.00 18.39 O ATOM 2086 CB MET A 586 6.899 15.347 67.084 1.00 16.95 C ATOM 2087 CG MET A 586 6.587 16.689 66.422 1.00 18.13 C ATOM 2088 SD MET A 586 7.002 18.154 67.400 1.00 18.84 S ATOM 2089 CE MET A 586 8.510 18.698 66.565 1.00 20.17 C ATOM 2090 H MET A 586 8.796 15.215 65.348 1.00 0.00 H ATOM 2091 N VAL A 587 8.695 12.760 67.602 1.00 16.17 N ATOM 2092 CA VAL A 587 8.916 11.487 68.305 1.00 17.61 C ATOM 2093 C VAL A 587 10.248 11.552 69.052 1.00 19.19 C ATOM 2094 O VAL A 587 10.344 11.089 70.193 1.00 20.17 O ATOM 2095 CB VAL A 587 8.840 10.321 67.314 1.00 17.84 C ATOM 2096 CG1 VAL A 587 9.281 9.002 67.933 1.00 19.92 C ATOM 2097 CG2 VAL A 587 7.407 10.156 66.809 1.00 18.94 C ATOM 2098 H VAL A 587 8.667 12.773 66.562 1.00 0.00 H ATOM 2099 N ASP A 588 11.255 12.168 68.440 1.00 20.22 N ATOM 2100 CA ASP A 588 12.518 12.393 69.157 1.00 20.85 C ATOM 2101 C ASP A 588 12.306 13.218 70.441 1.00 22.33 C ATOM 2102 O ASP A 588 12.891 12.912 71.489 1.00 23.26 O ATOM 2103 CB ASP A 588 13.556 13.077 68.276 1.00 22.15 C ATOM 2104 CG ASP A 588 14.266 12.123 67.357 1.00 22.56 C ATOM 2105 OD1 ASP A 588 14.474 10.946 67.736 1.00 25.99 O ATOM 2106 OD2 ASP A 588 14.645 12.574 66.271 1.00 22.87 O ATOM 2107 H ASP A 588 11.149 12.490 67.457 1.00 0.00 H ATOM 2108 N LYS A 589 11.486 14.264 70.369 1.00 23.24 N ATOM 2109 CA LYS A 589 11.173 15.051 71.567 1.00 23.72 C ATOM 2110 C LYS A 589 10.461 14.191 72.632 1.00 23.91 C ATOM 2111 O LYS A 589 10.744 14.289 73.822 1.00 24.34 O ATOM 2112 CB LYS A 589 10.330 16.290 71.229 1.00 23.98 C ATOM 2113 CG LYS A 589 11.033 17.406 70.440 1.00 28.10 C ATOM 2114 CD LYS A 589 10.216 18.703 70.482 1.00 32.56 C ATOM 2115 CE LYS A 589 10.766 19.680 71.560 1.00 37.01 C ATOM 2116 NZ LYS A 589 9.810 20.722 72.018 1.00 39.95 N ATOM 2117 HZ1 LYS A 589 9.522 21.307 71.208 1.00 0.00 H ATOM 2118 HZ2 LYS A 589 8.973 20.265 72.432 1.00 0.00 H ATOM 2119 HZ3 LYS A 589 10.269 21.321 72.734 1.00 0.00 H ATOM 2120 H LYS A 589 11.063 14.526 69.455 1.00 0.00 H ATOM 2121 N LEU A 590 9.516 13.355 72.218 1.00 21.50 N ATOM 2122 CA LEU A 590 8.836 12.469 73.166 1.00 21.51 C ATOM 2123 C LEU A 590 9.813 11.513 73.838 1.00 23.65 C ATOM 2124 O LEU A 590 9.694 11.236 75.019 1.00 25.67 O ATOM 2125 CB LEU A 590 7.728 11.679 72.469 1.00 22.30 C ATOM 2126 CG LEU A 590 6.454 12.450 72.127 1.00 20.68 C ATOM 2127 CD1 LEU A 590 5.555 11.591 71.246 1.00 20.98 C ATOM 2128 CD2 LEU A 590 5.706 12.934 73.384 1.00 21.55 C ATOM 2129 H LEU A 590 9.256 13.329 71.211 1.00 0.00 H ATOM 2130 N LEU A 591 10.796 11.018 73.096 1.00 23.38 N ATOM 2131 CA LEU A 591 11.764 10.098 73.681 1.00 26.65 C ATOM 2132 C LEU A 591 12.757 10.784 74.611 1.00 29.82 C ATOM 2133 O LEU A 591 13.361 10.134 75.443 1.00 32.64 O ATOM 2134 CB LEU A 591 12.535 9.397 72.576 1.00 27.53 C ATOM 2135 CG LEU A 591 11.792 8.261 71.887 1.00 27.13 C ATOM 2136 CD1 LEU A 591 12.503 7.961 70.588 1.00 28.41 C ATOM 2137 CD2 LEU A 591 11.766 7.025 72.767 1.00 27.22 C ATOM 2138 H LEU A 591 10.876 11.287 72.095 1.00 0.00 H ATOM 2139 N SER A 592 12.928 12.094 74.461 1.00 30.32 N ATOM 2140 CA SER A 592 13.807 12.857 75.329 1.00 33.48 C ATOM 2141 C SER A 592 13.117 13.246 76.643 1.00 35.84 C ATOM 2142 O SER A 592 11.889 13.181 76.769 1.00 37.48 O ATOM 2143 CB SER A 592 14.293 14.104 74.586 1.00 35.89 C ATOM 2144 OG SER A 592 13.343 15.162 74.633 1.00 39.82 O ATOM 2145 HG SER A 592 12.497 14.864 74.214 1.00 0.00 H ATOM 2146 H SER A 592 12.418 12.586 73.700 1.00 0.00 H TER 2147 SER A 592 HETATM 2148 O HOH 1 -6.178 30.751 83.138 1.00 39.86 O HETATM 2149 O HOH 2 -1.115 2.532 83.812 1.00 27.66 O HETATM 2150 O HOH 3 -10.403 4.599 52.051 1.00 52.20 O HETATM 2151 O HOH 4 4.663 5.055 70.655 1.00 44.24 O HETATM 2152 O HOH 5 2.741 15.575 79.419 1.00 29.60 O HETATM 2153 O HOH 6 14.600 0.495 56.913 1.00 30.22 O HETATM 2154 O HOH 7 -1.652 26.765 54.979 1.00 42.23 O HETATM 2155 O HOH 8 -7.548 3.639 80.630 1.00 34.79 O HETATM 2156 O HOH 9 -17.820 22.862 81.265 1.00 31.36 O HETATM 2157 O HOH 10 -19.569 5.739 97.272 1.00 39.22 O HETATM 2158 O HOH 11 7.272 10.220 36.343 1.00 28.73 O HETATM 2159 O HOH 12 -4.062 11.380 51.837 1.00 29.01 O HETATM 2160 O HOH 13 -6.046 26.339 64.407 1.00 28.76 O HETATM 2161 O HOH 14 13.207 14.215 49.799 1.00 41.32 O HETATM 2162 O HOH 15 2.198 9.509 85.432 1.00 36.36 O HETATM 2163 O HOH 16 -5.199 16.121 50.128 1.00 36.55 O HETATM 2164 O HOH 17 7.937 22.436 72.382 1.00 40.12 O HETATM 2165 O HOH 18 -21.719 5.243 96.266 1.00 37.45 O HETATM 2166 O HOH 19 -3.872 8.346 48.768 1.00 25.58 O HETATM 2167 O HOH 20 15.101 15.130 66.128 1.00 32.63 O HETATM 2168 O HOH 21 -5.753 28.638 60.517 1.00 30.26 O HETATM 2169 O HOH 22 -2.456 18.068 52.391 1.00 29.19 O HETATM 2170 O HOH 23 -5.077 1.696 79.044 1.00 32.05 O HETATM 2171 O HOH 24 -1.312 5.577 42.672 1.00 29.98 O HETATM 2172 O HOH 25 -1.536 5.641 96.321 1.00 49.70 O HETATM 2173 O HOH 26 13.420 12.854 54.005 1.00 26.37 O HETATM 2174 O HOH 27 -8.252 8.247 77.762 1.00 17.48 O HETATM 2175 O HOH 28 -7.640 4.245 54.782 1.00 25.51 O HETATM 2176 O HOH 29 -4.041 3.179 94.960 1.00 48.04 O HETATM 2177 O HOH 30 16.750 10.313 66.510 1.00 26.91 O HETATM 2178 O HOH 31 -14.684 2.328 73.236 1.00 22.85 O HETATM 2179 O HOH 32 -12.234 10.277 54.317 1.00 34.06 O HETATM 2180 O HOH 33 -0.166 25.910 76.986 1.00 34.12 O HETATM 2181 O HOH 34 -8.402 5.466 57.255 1.00 30.85 O HETATM 2182 O HOH 35 3.721 16.782 87.138 1.00 40.98 O HETATM 2183 O HOH 36 0.530 24.892 62.113 1.00 24.40 O HETATM 2184 O HOH 37 -5.139 4.426 91.070 1.00 25.05 O HETATM 2185 O HOH 38 -1.656 -1.604 46.783 1.00 32.95 O HETATM 2186 O HOH 39 -11.605 13.132 58.771 1.00 16.26 O HETATM 2187 O HOH 40 -18.307 -4.302 78.561 1.00 27.12 O HETATM 2188 O HOH 41 -3.180 2.733 62.658 1.00 16.68 O HETATM 2189 O HOH 42 -4.816 4.597 68.586 1.00 20.40 O HETATM 2190 O HOH 43 15.027 2.832 60.777 1.00 29.04 O HETATM 2191 O HOH 44 5.208 32.739 71.938 1.00 49.36 O HETATM 2192 O HOH 45 15.176 3.948 54.547 1.00 27.08 O HETATM 2193 O HOH 46 2.150 13.752 91.326 1.00 48.32 O HETATM 2194 O HOH 47 3.102 -2.895 42.531 1.00 43.24 O HETATM 2195 O HOH 48 -19.307 28.523 76.522 1.00 40.86 O HETATM 2196 O HOH 49 -18.595 9.229 63.458 1.00 20.96 O HETATM 2197 O HOH 50 -8.677 18.675 58.673 1.00 18.31 O HETATM 2198 O HOH 51 1.564 2.279 77.851 1.00 40.45 O HETATM 2199 O HOH 52 -1.248 -3.420 52.651 1.00 23.57 O HETATM 2200 O HOH 53 10.793 13.171 50.263 1.00 21.01 O HETATM 2201 O HOH 54 -8.404 28.243 59.827 1.00 26.92 O HETATM 2202 O HOH 55 -7.663 -1.643 62.250 1.00 24.47 O HETATM 2203 O HOH 56 -1.787 -1.201 50.791 1.00 23.17 O HETATM 2204 O HOH 57 4.736 -0.207 57.634 1.00 20.46 O HETATM 2205 O HOH 58 -4.826 27.609 55.610 1.00 39.52 O HETATM 2206 O HOH 59 -0.665 24.240 54.844 1.00 42.06 O HETATM 2207 O HOH 60 -9.645 26.033 91.881 1.00 31.97 O HETATM 2208 O HOH 61 -15.298 17.151 62.101 1.00 23.51 O HETATM 2209 O HOH 62 -17.031 10.531 98.059 1.00 39.24 O HETATM 2210 O HOH 63 9.000 12.021 54.569 1.00 19.39 O HETATM 2211 O HOH 64 15.441 11.907 71.822 1.00 37.15 O HETATM 2212 O HOH 65 -0.319 9.595 43.578 1.00 19.66 O HETATM 2213 O HOH 66 -17.589 13.093 74.951 1.00 29.49 O HETATM 2214 O HOH 67 -14.636 13.911 55.931 1.00 32.67 O HETATM 2215 O HOH 68 -4.500 0.963 48.572 1.00 27.83 O HETATM 2216 O HOH 69 -1.023 3.304 41.590 1.00 37.23 O HETATM 2217 O HOH 70 -2.782 5.244 61.786 1.00 18.95 O HETATM 2218 O HOH 71 14.741 3.724 67.412 1.00 39.41 O HETATM 2219 O HOH 72 -1.492 2.150 68.871 1.00 20.48 O HETATM 2220 O HOH 73 -17.165 7.669 66.711 1.00 23.83 O HETATM 2221 O HOH 74 1.527 26.657 70.662 1.00 22.72 O HETATM 2222 O HOH 75 15.411 9.754 70.083 1.00 32.15 O HETATM 2223 O HOH 76 -18.551 2.621 78.195 1.00 26.99 O HETATM 2224 O HOH 77 -10.864 8.768 77.216 1.00 19.41 O HETATM 2225 O HOH 78 12.975 14.624 60.447 1.00 25.85 O HETATM 2226 O HOH 79 11.313 18.480 61.148 1.00 38.79 O HETATM 2227 O HOH 80 -15.662 4.168 76.357 1.00 17.97 O HETATM 2228 O HOH 81 -13.230 0.348 74.684 1.00 27.65 O HETATM 2229 O HOH 82 -14.971 5.637 65.104 1.00 22.74 O HETATM 2230 O HOH 83 13.642 16.532 67.926 1.00 27.90 O HETATM 2231 O HOH 84 -19.516 17.742 68.900 1.00 29.72 O HETATM 2232 O HOH 85 -15.580 1.885 62.813 1.00 28.63 O HETATM 2233 O HOH 86 -10.005 17.365 60.841 1.00 17.88 O HETATM 2234 O HOH 87 -3.657 0.947 80.666 1.00 31.32 O HETATM 2235 O HOH 88 -11.621 15.044 60.645 1.00 16.38 O HETATM 2236 O HOH 89 -1.188 18.100 81.454 1.00 26.49 O HETATM 2237 O HOH 90 8.765 2.656 57.592 1.00 27.11 O HETATM 2238 O HOH 91 -19.925 21.003 69.470 1.00 26.32 O HETATM 2239 O HOH 92 1.370 -0.156 90.062 1.00 39.69 O HETATM 2240 O HOH 93 -5.818 30.099 90.127 1.00 43.22 O HETATM 2241 O HOH 94 2.933 20.949 53.113 1.00 36.60 O HETATM 2242 O HOH 95 -11.765 2.935 63.295 1.00 28.67 O HETATM 2243 O HOH 96 19.138 5.822 57.080 1.00 25.40 O HETATM 2244 O HOH 97 -0.240 9.716 92.147 1.00 28.70 O HETATM 2245 O HOH 98 10.824 13.348 53.122 1.00 21.82 O HETATM 2246 O HOH 99 -8.256 16.508 67.669 1.00 16.24 O HETATM 2247 O HOH 100 0.524 23.793 87.453 1.00 43.55 O HETATM 2248 O HOH 101 9.300 0.282 44.715 1.00 28.39 O HETATM 2249 O HOH 102 -21.474 2.571 76.710 1.00 53.23 O HETATM 2250 O HOH 103 -17.617 10.841 65.517 1.00 23.81 O HETATM 2251 O HOH 104 -11.455 0.106 57.385 1.00 36.32 O HETATM 2252 O HOH 105 -7.467 24.214 56.234 1.00 38.24 O HETATM 2253 O HOH 106 4.430 27.831 63.139 1.00 44.92 O HETATM 2254 O HOH 107 5.029 11.619 40.476 1.00 29.31 O HETATM 2255 O HOH 108 -5.995 12.204 53.650 1.00 23.75 O HETATM 2256 O HOH 109 8.412 17.443 51.230 1.00 35.82 O HETATM 2257 O HOH 110 -2.196 13.240 50.697 1.00 33.38 O HETATM 2258 O HOH 111 -18.876 15.526 71.336 1.00 31.71 O HETATM 2259 O HOH 112 15.705 9.650 57.967 1.00 32.04 O HETATM 2260 O HOH 113 -9.027 15.581 93.654 1.00 19.38 O HETATM 2261 O HOH 114 13.577 11.849 59.825 1.00 24.33 O HETATM 2262 O HOH 115 -0.549 3.307 94.901 1.00 43.33 O HETATM 2263 O HOH 116 -14.727 10.863 65.636 1.00 21.58 O HETATM 2264 O HOH 117 4.170 16.043 45.656 1.00 27.23 O HETATM 2265 O HOH 118 -5.553 2.259 67.436 1.00 24.59 O HETATM 2266 O HOH 119 -15.427 8.370 64.584 1.00 21.30 O HETATM 2267 O HOH 120 -18.762 9.007 96.061 1.00 31.84 O HETATM 2268 O HOH 121 4.177 4.563 63.485 1.00 23.51 O HETATM 2269 O HOH 122 4.442 -3.133 57.530 1.00 35.65 O HETATM 2270 O HOH 123 -5.577 -0.269 64.656 1.00 28.76 O HETATM 2271 O HOH 124 -3.990 26.958 79.450 1.00 27.16 O HETATM 2272 O HOH 125 3.130 19.740 78.221 1.00 39.62 O HETATM 2273 O HOH 126 5.937 9.571 76.637 1.00 36.07 O HETATM 2274 O HOH 127 6.872 -3.226 52.722 1.00 34.01 O HETATM 2275 O HOH 128 4.430 22.112 75.673 1.00 27.47 O HETATM 2276 O HOH 129 -21.831 17.876 85.389 1.00 43.84 O HETATM 2277 O HOH 130 9.983 3.061 73.204 1.00 37.79 O HETATM 2278 O HOH 131 -7.279 15.420 97.979 1.00 36.12 O HETATM 2279 O HOH 132 -15.590 9.249 54.805 1.00 43.99 O HETATM 2280 O HOH 133 -12.752 3.858 65.375 1.00 23.35 O HETATM 2281 O HOH 134 -10.684 16.436 96.463 1.00 29.41 O HETATM 2282 O HOH 135 -5.929 0.788 71.944 1.00 37.78 O HETATM 2283 O HOH 136 4.440 -6.882 54.719 1.00 47.49 O HETATM 2284 O HOH 137 -21.428 19.304 70.307 1.00 41.41 O HETATM 2285 O HOH 138 -24.302 20.492 79.109 1.00 53.58 O HETATM 2286 O HOH 139 -18.393 17.093 64.872 1.00 27.02 O HETATM 2287 O HOH 140 -15.589 4.900 67.811 1.00 26.27 O HETATM 2288 O HOH 141 -17.389 10.106 78.430 1.00 29.92 O HETATM 2289 O HOH 142 -16.041 5.070 57.982 1.00 26.31 O HETATM 2290 O HOH 143 3.194 13.475 81.247 1.00 46.75 O HETATM 2291 O HOH 144 -13.426 3.813 69.127 1.00 22.87 O HETATM 2292 O HOH 145 -3.315 10.232 46.887 1.00 37.13 O HETATM 2293 O HOH 146 -19.383 8.647 67.965 1.00 27.32 O HETATM 2294 O HOH 147 -9.997 -0.522 91.722 1.00 33.62 O HETATM 2295 O HOH 148 -14.367 15.125 60.641 1.00 23.18 O HETATM 2296 O HOH 149 -3.593 1.162 76.208 1.00 19.25 O HETATM 2297 O HOH 150 -0.830 -5.943 51.976 1.00 33.85 O HETATM 2298 O HOH 151 -17.859 8.136 55.343 1.00 45.62 O HETATM 2299 O HOH 152 -12.466 12.620 103.684 1.00 53.18 O HETATM 2300 O HOH 153 -5.275 1.815 80.934 1.00 32.47 O HETATM 2301 O HOH 154 -10.408 20.943 58.511 1.00 25.90 O HETATM 2302 O HOH 155 -7.266 2.174 94.346 1.00 44.08 O HETATM 2303 O HOH 156 17.900 12.602 65.300 1.00 31.94 O HETATM 2304 O HOH 157 -19.846 18.960 66.487 1.00 29.72 O HETATM 2305 O HOH 158 -15.788 15.201 58.250 1.00 32.63 O HETATM 2306 O HOH 159 -17.767 4.566 69.660 1.00 34.97 O HETATM 2307 O HOH 160 16.945 13.394 61.908 1.00 55.11 O HETATM 2308 O HOH 161 0.372 29.571 56.666 1.00 26.46 O HETATM 2309 O HOH 162 -0.084 11.650 45.511 1.00 26.63 O HETATM 2310 O HOH 163 16.126 2.081 58.502 1.00 32.41 O HETATM 2311 O HOH 164 -20.568 -2.544 77.626 1.00 43.83 O HETATM 2312 O HOH 165 7.390 0.358 58.699 1.00 31.71 O HETATM 2313 O HOH 166 -3.380 0.073 69.114 1.00 30.82 O HETATM 2314 O HOH 167 3.814 -4.261 59.701 1.00 46.00 O HETATM 2315 O HOH 168 14.635 13.487 56.424 1.00 36.09 O HETATM 2316 O HOH 169 -2.495 16.140 50.643 1.00 32.47 O HETATM 2317 O HOH 170 -1.676 28.122 78.761 1.00 39.91 O HETATM 2318 O HOH 171 -9.812 1.811 49.153 1.00 35.91 O HETATM 2319 O HOH 172 11.007 12.010 36.471 1.00 36.67 O HETATM 2320 O HOH 173 -3.727 1.542 65.201 1.00 19.64 O HETATM 2321 O HOH 174 -6.883 17.267 93.909 1.00 30.80 O HETATM 2322 O HOH 175 3.938 13.885 43.625 1.00 37.36 O HETATM 2323 O HOH 176 -0.970 29.706 73.314 1.00 38.22 O HETATM 2324 O HOH 177 -11.909 19.769 67.737 1.00 15.19 O HETATM 2325 O HOH 178 -6.341 20.477 66.984 1.00 16.77 O HETATM 2326 O HOH 179 -9.856 18.503 66.284 1.00 14.72 O HETATM 2327 O HOH 180 -7.350 24.763 67.332 1.00 23.61 O HETATM 2328 O HOH 181 -5.592 22.980 65.858 1.00 21.33 O HETATM 2329 O HOH 182 -13.016 26.773 65.419 1.00 33.75 O HETATM 2330 O HOH 183 -11.129 21.290 61.092 1.00 33.31 O HETATM 2331 O HOH 184 -8.577 25.430 65.030 1.00 23.97 O HETATM 2332 O HOH 185 -5.341 20.167 63.383 1.00 16.15 O HETATM 2333 O HOH 186 -16.268 24.524 66.700 1.00 23.61 O HETATM 2334 O HOH 187 -7.712 29.423 71.972 1.00 27.56 O HETATM 2335 O HOH 188 -11.024 18.010 63.728 1.00 26.17 O HETATM 2336 O HOH 189 -6.610 31.559 70.616 1.00 44.99 O HETATM 2337 N UNN A 190 -3.501 28.067 69.753 1.00 -0.25 N HETATM 2338 CA UNN A 190 -4.835 27.736 70.251 1.00 0.14 C HETATM 2339 C UNN A 190 -4.807 26.959 71.569 1.00 0.20 C HETATM 2340 O UNN A 190 -3.984 26.063 71.760 1.00 -0.39 O HETATM 2341 N UNN A 190 -5.740 27.307 72.460 1.00 -0.26 N HETATM 2342 CA UNN A 190 -5.916 26.616 73.730 1.00 0.13 C HETATM 2343 C UNN A 190 -7.012 25.550 73.697 1.00 0.20 C HETATM 2344 O UNN A 190 -7.331 24.947 74.724 1.00 -0.39 O HETATM 2345 N UNN A 190 -7.568 25.315 72.515 1.00 -0.26 N HETATM 2346 CA UNN A 190 -8.474 24.217 72.299 1.00 0.15 C HETATM 2347 C UNN A 190 -8.484 23.859 70.821 1.00 0.21 C HETATM 2348 O UNN A 190 -8.036 24.640 69.987 1.00 -0.39 O HETATM 2349 N UNN A 190 -8.983 22.660 70.524 1.00 -0.26 N HETATM 2350 CA UNN A 190 -9.068 22.178 69.169 1.00 0.15 C HETATM 2351 C UNN A 190 -10.174 22.876 68.368 1.00 0.21 C HETATM 2352 O UNN A 190 -10.872 23.760 68.890 1.00 -0.39 O HETATM 2353 N UNN A 190 -10.289 22.533 67.082 1.00 -0.26 N HETATM 2354 CA UNN A 190 -11.176 23.262 66.177 1.00 0.16 C HETATM 2355 CB UNN A 190 -11.002 22.751 64.744 1.00 0.13 C HETATM 2356 CG2 UNN A 190 -11.798 23.518 63.716 1.00 -0.03 C HETATM 2357 H68 UNN A 190 -11.618 23.090 62.719 1.00 0.03 H HETATM 2358 H69 UNN A 190 -11.487 24.573 63.724 1.00 0.03 H HETATM 2359 H70 UNN A 190 -12.869 23.450 63.956 1.00 0.03 H HETATM 2360 OG1 UNN A 190 -9.592 22.855 64.459 1.00 -0.27 O HETATM 2361 P UNN A 190 -8.661 21.566 64.235 1.00 0.20 P HETATM 2362 O1P UNN A 190 -9.282 20.724 63.140 1.00 -0.55 O HETATM 2363 O2P UNN A 190 -7.318 22.135 63.850 1.00 -0.55 O HETATM 2364 O3P UNN A 190 -8.614 20.833 65.555 1.00 -0.55 O HETATM 2365 H67 UNN A 190 -11.313 21.697 64.700 1.00 0.07 H HETATM 2366 C UNN A 190 -12.666 23.164 66.564 1.00 0.20 C HETATM 2367 O UNN A 190 -13.117 22.055 66.842 1.00 -0.39 O HETATM 2368 N UNN A 190 -13.392 24.280 66.601 1.00 -0.30 N HETATM 2369 H71 UNN A 190 -14.360 24.239 66.849 1.00 0.18 H HETATM 2370 H72 UNN A 190 -12.969 25.159 66.380 1.00 0.18 H HETATM 2371 H66 UNN A 190 -10.887 24.323 66.209 1.00 0.08 H HETATM 2372 H65 UNN A 190 -9.758 21.762 66.731 1.00 0.19 H HETATM 2373 CB UNN A 190 -9.259 20.668 69.188 1.00 0.08 C HETATM 2374 OG UNN A 190 -10.482 20.325 69.881 1.00 -0.39 O HETATM 2375 H64 UNN A 190 -11.220 20.726 69.436 1.00 0.21 H HETATM 2376 H62 UNN A 190 -8.407 20.201 69.703 1.00 0.06 H HETATM 2377 H63 UNN A 190 -9.311 20.296 68.154 1.00 0.06 H HETATM 2378 H61 UNN A 190 -8.112 22.396 68.671 1.00 0.08 H HETATM 2379 H60 UNN A 190 -9.309 22.075 71.266 1.00 0.19 H HETATM 2380 CB UNN A 190 -9.900 24.522 72.787 1.00 0.08 C HETATM 2381 CG UNN A 190 -10.419 25.821 72.251 1.00 0.14 C HETATM 2382 ND1 UNN A 190 -10.484 27.006 72.953 1.00 -0.28 N HETATM 2383 C27 UNN A 190 -10.173 27.182 74.378 1.00 0.01 C HETATM 2384 C28 UNN A 190 -11.295 26.747 75.285 1.00 -0.04 C HETATM 2385 C29 UNN A 190 -10.844 26.758 76.716 1.00 -0.05 C HETATM 2386 C30 UNN A 190 -11.931 26.311 77.656 1.00 -0.05 C HETATM 2387 C31 UNN A 190 -11.446 26.213 79.097 1.00 -0.05 C HETATM 2388 C32 UNN A 190 -12.507 25.757 80.081 1.00 -0.05 C HETATM 2389 C33 UNN A 190 -12.966 24.320 79.898 1.00 -0.04 C HETATM 2390 C34 UNN A 190 -14.016 23.904 80.937 1.00 -0.02 C HETATM 2391 C35 UNN A 190 -13.474 23.886 82.345 1.00 -0.04 C HETATM 2392 C36 UNN A 190 -13.838 24.863 83.247 1.00 -0.06 C HETATM 2393 C37 UNN A 190 -13.325 24.861 84.531 1.00 -0.07 C HETATM 2394 C38 UNN A 190 -12.432 23.891 84.925 1.00 -0.07 C HETATM 2395 C39 UNN A 190 -12.069 22.906 84.048 1.00 -0.07 C HETATM 2396 C40 UNN A 190 -12.588 22.898 82.762 1.00 -0.06 C HETATM 2397 H57 UNN A 190 -12.300 22.112 82.073 1.00 0.06 H HETATM 2398 H56 UNN A 190 -11.376 22.132 84.358 1.00 0.06 H HETATM 2399 H55 UNN A 190 -12.018 23.907 85.927 1.00 0.06 H HETATM 2400 H54 UNN A 190 -13.629 25.630 85.233 1.00 0.06 H HETATM 2401 H53 UNN A 190 -14.532 25.640 82.947 1.00 0.06 H HETATM 2402 H51 UNN A 190 -14.377 22.895 80.687 1.00 0.04 H HETATM 2403 H52 UNN A 190 -14.854 24.615 80.893 1.00 0.04 H HETATM 2404 H49 UNN A 190 -12.094 23.656 79.992 1.00 0.03 H HETATM 2405 H50 UNN A 190 -13.402 24.214 78.894 1.00 0.03 H HETATM 2406 H47 UNN A 190 -13.383 26.413 79.969 1.00 0.03 H HETATM 2407 H48 UNN A 190 -12.099 25.860 81.097 1.00 0.03 H HETATM 2408 H45 UNN A 190 -11.090 27.206 79.409 1.00 0.03 H HETATM 2409 H46 UNN A 190 -10.612 25.497 79.132 1.00 0.03 H HETATM 2410 H43 UNN A 190 -12.291 25.322 77.336 1.00 0.03 H HETATM 2411 H44 UNN A 190 -12.758 27.035 77.610 1.00 0.03 H HETATM 2412 H41 UNN A 190 -10.541 27.781 76.985 1.00 0.03 H HETATM 2413 H42 UNN A 190 -9.983 26.081 76.822 1.00 0.03 H HETATM 2414 H39 UNN A 190 -11.608 25.729 75.011 1.00 0.03 H HETATM 2415 H40 UNN A 190 -12.144 27.436 75.167 1.00 0.03 H HETATM 2416 H37 UNN A 190 -9.279 26.588 74.617 1.00 0.04 H HETATM 2417 H38 UNN A 190 -9.966 28.247 74.562 1.00 0.04 H HETATM 2418 CE1 UNN A 190 -10.900 27.958 72.143 1.00 0.17 C HETATM 2419 NE2 UNN A 190 -11.117 27.437 70.948 1.00 -0.15 N HETATM 2420 C12 UNN A 190 -11.564 28.202 69.773 1.00 0.08 C HETATM 2421 C13 UNN A 190 -10.432 29.034 69.193 1.00 -0.02 C HETATM 2422 C14 UNN A 190 -9.491 28.219 68.347 1.00 -0.05 C HETATM 2423 C15 UNN A 190 -8.265 28.995 67.907 1.00 -0.05 C HETATM 2424 C16 UNN A 190 -7.482 28.236 66.865 1.00 -0.03 C HETATM 2425 C17 UNN A 190 -6.152 28.822 66.522 1.00 0.05 C HETATM 2426 O5 UNN A 190 -5.298 28.704 67.648 1.00 -0.37 O HETATM 2427 CG UNN A 190 -4.742 27.414 67.905 1.00 0.08 C HETATM 2428 CB UNN A 190 -5.404 26.836 69.142 1.00 0.02 C HETATM 2429 H8 UNN A 190 -6.500 26.915 69.084 1.00 0.03 H HETATM 2430 H9 UNN A 190 -5.120 25.784 69.294 1.00 0.03 H HETATM 2431 CD UNN A 190 -3.310 27.639 68.360 1.00 0.06 C HETATM 2432 H10 UNN A 190 -2.721 26.712 68.303 1.00 0.06 H HETATM 2433 H11 UNN A 190 -2.819 28.422 67.764 1.00 0.06 H HETATM 2434 H15 UNN A 190 -4.820 26.750 67.031 1.00 0.06 H HETATM 2435 H16 UNN A 190 -6.272 29.883 66.258 1.00 0.06 H HETATM 2436 H17 UNN A 190 -5.717 28.279 65.670 1.00 0.06 H HETATM 2437 H5 UNN A 190 -8.085 28.198 65.946 1.00 0.03 H HETATM 2438 H6 UNN A 190 -7.318 27.214 67.239 1.00 0.03 H HETATM 2439 H3 UNN A 190 -7.621 29.173 68.781 1.00 0.03 H HETATM 2440 H4 UNN A 190 -8.584 29.959 67.484 1.00 0.03 H HETATM 2441 H1 UNN A 190 -9.162 27.346 68.930 1.00 0.03 H HETATM 2442 H2 UNN A 190 -10.031 27.879 67.451 1.00 0.03 H HETATM 2443 H18 UNN A 190 -10.864 29.832 68.571 1.00 0.03 H HETATM 2444 H19 UNN A 190 -9.863 29.482 70.021 1.00 0.03 H HETATM 2445 H20 UNN A 190 -11.924 27.502 69.005 1.00 0.07 H HETATM 2446 H21 UNN A 190 -12.384 28.871 70.072 1.00 0.07 H HETATM 2447 CD2 UNN A 190 -10.837 26.088 70.999 1.00 0.18 C HETATM 2448 H58 UNN A 190 -10.935 25.374 70.182 1.00 0.19 H HETATM 2449 H59 UNN A 190 -11.042 29.003 72.414 1.00 0.18 H HETATM 2450 H35 UNN A 190 -9.895 24.570 73.886 1.00 0.07 H HETATM 2451 H36 UNN A 190 -10.567 23.712 72.458 1.00 0.07 H HETATM 2452 H34 UNN A 190 -8.102 23.351 72.866 1.00 0.09 H HETATM 2453 H33 UNN A 190 -7.351 25.920 71.749 1.00 0.19 H HETATM 2454 CB UNN A 190 -6.159 27.633 74.851 1.00 -0.01 C HETATM 2455 CG UNN A 190 -5.004 28.592 75.110 1.00 -0.04 C HETATM 2456 CD1 UNN A 190 -5.318 29.526 76.268 1.00 -0.06 C HETATM 2457 H27 UNN A 190 -4.468 30.205 76.432 1.00 0.02 H HETATM 2458 H28 UNN A 190 -5.495 28.935 77.178 1.00 0.02 H HETATM 2459 H29 UNN A 190 -6.217 30.114 76.032 1.00 0.02 H HETATM 2460 CD2 UNN A 190 -3.715 27.852 75.371 1.00 -0.06 C HETATM 2461 H30 UNN A 190 -3.500 27.181 74.526 1.00 0.02 H HETATM 2462 H31 UNN A 190 -3.812 27.261 76.294 1.00 0.02 H HETATM 2463 H32 UNN A 190 -2.893 28.575 75.483 1.00 0.02 H HETATM 2464 H26 UNN A 190 -4.866 29.204 74.206 1.00 0.03 H HETATM 2465 H24 UNN A 190 -6.356 27.077 75.779 1.00 0.03 H HETATM 2466 H25 UNN A 190 -7.045 28.229 74.585 1.00 0.03 H HETATM 2467 H23 UNN A 190 -4.972 26.097 73.951 1.00 0.08 H HETATM 2468 H22 UNN A 190 -6.343 28.075 72.246 1.00 0.19 H HETATM 2469 H7 UNN A 190 -5.438 28.647 70.377 1.00 0.08 H HETATM 2470 C41 UNN A 190 -2.594 28.719 70.513 1.00 0.18 C HETATM 2471 O6 UNN A 190 -2.879 29.071 71.649 1.00 -0.40 O HETATM 2472 C42 UNN A 190 -1.256 29.012 69.894 1.00 0.03 C HETATM 2473 H12 UNN A 190 -0.624 29.542 70.621 1.00 0.05 H HETATM 2474 H13 UNN A 190 -1.394 29.640 69.002 1.00 0.05 H HETATM 2475 H14 UNN A 190 -0.770 28.068 69.606 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 2337 2338 2431 2470 CONECT 2338 2337 2339 2428 2469 CONECT 2339 2338 2340 2341 CONECT 2340 2339 CONECT 2341 2339 2342 2468 CONECT 2342 2341 2343 2454 2467 CONECT 2343 2342 2344 2345 CONECT 2344 2343 CONECT 2345 2343 2346 2453 CONECT 2346 2345 2347 2380 2452 CONECT 2347 2346 2348 2349 CONECT 2348 2347 CONECT 2349 2347 2350 2379 CONECT 2350 2349 2351 2373 2378 CONECT 2351 2350 2352 2353 CONECT 2352 2351 CONECT 2353 2351 2354 2372 CONECT 2354 2353 2355 2366 2371 CONECT 2355 2354 2356 2360 2365 CONECT 2356 2355 2357 2358 2359 CONECT 2357 2356 CONECT 2358 2356 CONECT 2359 2356 CONECT 2360 2355 2361 CONECT 2361 2360 2362 2363 2364 CONECT 2362 2361 CONECT 2363 2361 CONECT 2364 2361 CONECT 2365 2355 CONECT 2366 2354 2367 2368 CONECT 2367 2366 CONECT 2368 2366 2369 2370 CONECT 2369 2368 CONECT 2370 2368 CONECT 2371 2354 CONECT 2372 2353 CONECT 2373 2350 2374 2376 2377 CONECT 2374 2373 2375 CONECT 2375 2374 CONECT 2376 2373 CONECT 2377 2373 CONECT 2378 2350 CONECT 2379 2349 CONECT 2380 2346 2381 2450 2451 CONECT 2381 2380 2382 2447 CONECT 2382 2381 2383 2418 CONECT 2383 2382 2384 2416 2417 CONECT 2384 2383 2385 2414 2415 CONECT 2385 2384 2386 2412 2413 CONECT 2386 2385 2387 2410 2411 CONECT 2387 2386 2388 2408 2409 CONECT 2388 2387 2389 2406 2407 CONECT 2389 2388 2390 2404 2405 CONECT 2390 2389 2391 2402 2403 CONECT 2391 2390 2392 2396 CONECT 2392 2391 2393 2401 CONECT 2393 2392 2394 2400 CONECT 2394 2393 2395 2399 CONECT 2395 2394 2396 2398 CONECT 2396 2391 2395 2397 CONECT 2397 2396 CONECT 2398 2395 CONECT 2399 2394 CONECT 2400 2393 CONECT 2401 2392 CONECT 2402 2390 CONECT 2403 2390 CONECT 2404 2389 CONECT 2405 2389 CONECT 2406 2388 CONECT 2407 2388 CONECT 2408 2387 CONECT 2409 2387 CONECT 2410 2386 CONECT 2411 2386 CONECT 2412 2385 CONECT 2413 2385 CONECT 2414 2384 CONECT 2415 2384 CONECT 2416 2383 CONECT 2417 2383 CONECT 2418 2382 2419 2449 CONECT 2419 2418 2420 2447 CONECT 2420 2419 2421 2445 2446 CONECT 2421 2420 2422 2443 2444 CONECT 2422 2421 2423 2441 2442 CONECT 2423 2422 2424 2439 2440 CONECT 2424 2423 2425 2437 2438 CONECT 2425 2424 2426 2435 2436 CONECT 2426 2425 2427 CONECT 2427 2426 2428 2431 2434 CONECT 2428 2338 2427 2429 2430 CONECT 2429 2428 CONECT 2430 2428 CONECT 2431 2337 2427 2432 2433 CONECT 2432 2431 CONECT 2433 2431 CONECT 2434 2427 CONECT 2435 2425 CONECT 2436 2425 CONECT 2437 2424 CONECT 2438 2424 CONECT 2439 2423 CONECT 2440 2423 CONECT 2441 2422 CONECT 2442 2422 CONECT 2443 2421 CONECT 2444 2421 CONECT 2445 2420 CONECT 2446 2420 CONECT 2447 2381 2419 2448 CONECT 2448 2447 CONECT 2449 2418 CONECT 2450 2380 CONECT 2451 2380 CONECT 2452 2346 CONECT 2453 2345 CONECT 2454 2342 2455 2465 2466 CONECT 2455 2454 2456 2460 2464 CONECT 2456 2455 2457 2458 2459 CONECT 2457 2456 CONECT 2458 2456 CONECT 2459 2456 CONECT 2460 2455 2461 2462 2463 CONECT 2461 2460 CONECT 2462 2460 CONECT 2463 2460 CONECT 2464 2455 CONECT 2465 2454 CONECT 2466 2454 CONECT 2467 2342 CONECT 2468 2341 CONECT 2469 2338 CONECT 2470 2337 2471 2472 CONECT 2471 2470 CONECT 2472 2470 2473 2474 2475 CONECT 2473 2472 CONECT 2474 2472 CONECT 2475 2472 MASTER 0 0 0 0 0 0 0 0 2474 1 143 17 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4x9r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1q4k
RCSB PDB
PDBbind
259aa, >1Q4K_1|Chains... *
1umw
RCSB PDB
PDBbind
237aa, >1UMW_1|Chains... at 100%
3bzi
RCSB PDB
PDBbind
239aa, >3BZI_1|Chain... at 100%
3fvh
RCSB PDB
PDBbind
237aa, >3FVH_1|Chain... at 98%
3hik
RCSB PDB
PDBbind
237aa, >3HIK_1|Chain... at 100%
3rq7
RCSB PDB
PDBbind
237aa, >3RQ7_1|Chain... at 98%
4dfw
RCSB PDB
PDBbind
237aa, >4DFW_1|Chain... at 100%
4e67
RCSB PDB
PDBbind
232aa, >4E67_1|Chain... at 96%
4e9d
RCSB PDB
PDBbind
232aa, >4E9D_1|Chain... at 96%
4h71
RCSB PDB
PDBbind
240aa, >4H71_1|Chains... at 98%
4hco
RCSB PDB
PDBbind
240aa, >4HCO_1|Chains... at 98%
4lkl
RCSB PDB
PDBbind
222aa, >4LKL_1|Chain... at 100%
4lkm
RCSB PDB
PDBbind
231aa, >4LKM_1|Chains... at 100%
4o6w
RCSB PDB
PDBbind
237aa, >4O6W_1|Chain... at 98%
4o9w
RCSB PDB
PDBbind
222aa, >4O9W_1|Chain... at 100%
4rcp
RCSB PDB
PDBbind
228aa, >4RCP_1|Chain... at 100%
4whh
RCSB PDB
PDBbind
237aa, >4WHH_1|Chain... at 98%
4whl
RCSB PDB
PDBbind
237aa, >4WHL_1|Chain... at 98%
4x9v
RCSB PDB
PDBbind
237aa, >4X9V_1|Chain... at 98%
4x9w
RCSB PDB
PDBbind
237aa, >4X9W_1|Chain... at 98%
5dms
RCSB PDB
PDBbind
237aa, >5DMS_1|Chains... at 95%
6ax4
RCSB PDB
PDBbind
237aa, >6AX4_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a7c
RCSB PDB
PDBbind
6-mer
1elr
RCSB PDB
PDBbind
6-mer
1gui
RCSB PDB
PDBbind
6-mer
1gvx
RCSB PDB
PDBbind
6-mer
1gwm
RCSB PDB
PDBbind
6-mer
1k9r
RCSB PDB
PDBbind
6-mer
1lyb
RCSB PDB
PDBbind
6-mer
1njt
RCSB PDB
PDBbind
6-mer
1okv
RCSB PDB
PDBbind
6-mer
1ol1
RCSB PDB
PDBbind
6-mer
1ol2
RCSB PDB
PDBbind
6-mer
1q4k
RCSB PDB
PDBbind
6-mer
1rhk
RCSB PDB
PDBbind
6-mer
1sld
RCSB PDB
PDBbind
6-mer
1sme
RCSB PDB
PDBbind
6-mer
1str
RCSB PDB
PDBbind
6-mer
1urc
RCSB PDB
PDBbind
6-mer
1xt3
RCSB PDB
PDBbind
6-mer
1ym2
RCSB PDB
PDBbind
6-mer
1zfp
RCSB PDB
PDBbind
6-mer
2h65
RCSB PDB
PDBbind
6-mer
2h6t
RCSB PDB
PDBbind
6-mer
2hob
RCSB PDB
PDBbind
6-mer
2itk
RCSB PDB
PDBbind
6-mer
2l65
RCSB PDB
PDBbind
6-mer
2oqs
RCSB PDB
PDBbind
6-mer
2q6f
RCSB PDB
PDBbind
6-mer
2qzx
RCSB PDB
PDBbind
6-mer
2r0z
RCSB PDB
PDBbind
6-mer
2w76
RCSB PDB
PDBbind
6-mer
2x6x
RCSB PDB
PDBbind
6-mer
3avz
RCSB PDB
PDBbind
6-mer
3aw0
RCSB PDB
PDBbind
6-mer
3bv9
RCSB PDB
PDBbind
6-mer
3dri
RCSB PDB
PDBbind
6-mer
3eys
RCSB PDB
PDBbind
6-mer
3fv3
RCSB PDB
PDBbind
6-mer
3fwv
RCSB PDB
PDBbind
6-mer
3h6z
RCSB PDB
PDBbind
6-mer
3hik
RCSB PDB
PDBbind
6-mer
3iqu
RCSB PDB
PDBbind
6-mer
3iqv
RCSB PDB
PDBbind
6-mer
3kd7
RCSB PDB
PDBbind
6-mer
3luo
RCSB PDB
PDBbind
6-mer
3nth
RCSB PDB
PDBbind
6-mer
3old
RCSB PDB
PDBbind
6-mer
3psl
RCSB PDB
PDBbind
6-mer
3q4j
RCSB PDB
PDBbind
6-mer
3q4k
RCSB PDB
PDBbind
6-mer
3q4l
RCSB PDB
PDBbind
6-mer
3r5j
RCSB PDB
PDBbind
6-mer
3r6g
RCSB PDB
PDBbind
6-mer
3rjm
RCSB PDB
PDBbind
6-mer
3sm1
RCSB PDB
PDBbind
6-mer
3sna
RCSB PDB
PDBbind
6-mer
3snb
RCSB PDB
PDBbind
6-mer
3snc
RCSB PDB
PDBbind
6-mer
3snd
RCSB PDB
PDBbind
6-mer
3u51
RCSB PDB
PDBbind
6-mer
3ux0
RCSB PDB
PDBbind
6-mer
3wqw
RCSB PDB
PDBbind
6-mer
3zmt
RCSB PDB
PDBbind
6-mer
3zmu
RCSB PDB
PDBbind
6-mer
3zmv
RCSB PDB
PDBbind
6-mer
3zmz
RCSB PDB
PDBbind
6-mer
3zn0
RCSB PDB
PDBbind
6-mer
3zn1
RCSB PDB
PDBbind
6-mer
4a0j
RCSB PDB
PDBbind
6-mer
4apo
RCSB PDB
PDBbind
6-mer
4b3b
RCSB PDB
PDBbind
6-mer
4b4q
RCSB PDB
PDBbind
6-mer
4b8y
RCSB PDB
PDBbind
6-mer
4c4n
RCSB PDB
PDBbind
6-mer
4dgb
RCSB PDB
PDBbind
6-mer
4er2
RCSB PDB
PDBbind
6-mer
4exh
RCSB PDB
PDBbind
6-mer
4fr3
RCSB PDB
PDBbind
6-mer
4fys
RCSB PDB
PDBbind
6-mer
4fz3
RCSB PDB
PDBbind
6-mer
4gye
RCSB PDB
PDBbind
6-mer
4gzf
RCSB PDB
PDBbind
6-mer
4ifi
RCSB PDB
PDBbind
6-mer
4ikn
RCSB PDB
PDBbind
6-mer
4j09
RCSB PDB
PDBbind
6-mer
4j77
RCSB PDB
PDBbind
6-mer
4j79
RCSB PDB
PDBbind
6-mer
4j86
RCSB PDB
PDBbind
6-mer
4j8b
RCSB PDB
PDBbind
6-mer
4jj7
RCSB PDB
PDBbind
6-mer
4jj8
RCSB PDB
PDBbind
6-mer
4jje
RCSB PDB
PDBbind
6-mer
4jr0
RCSB PDB
PDBbind
6-mer
4k3o
RCSB PDB
PDBbind
6-mer
4k3p
RCSB PDB
PDBbind
6-mer
4k3q
RCSB PDB
PDBbind
6-mer
4k3r
RCSB PDB
PDBbind
6-mer
4ny3
RCSB PDB
PDBbind
6-mer
4o9w
RCSB PDB
PDBbind
6-mer
4ou3
RCSB PDB
PDBbind
6-mer
4tsz
RCSB PDB
PDBbind
6-mer
4tt2
RCSB PDB
PDBbind
6-mer
4wk2
RCSB PDB
PDBbind
6-mer
4wvt
RCSB PDB
PDBbind
6-mer
4x9v
RCSB PDB
PDBbind
6-mer
4ynl
RCSB PDB
PDBbind
6-mer
5a2i
RCSB PDB
PDBbind
6-mer
5a2j
RCSB PDB
PDBbind
6-mer
5a2k
RCSB PDB
PDBbind
6-mer
5e1b
RCSB PDB
PDBbind
6-mer
5e1d
RCSB PDB
PDBbind
6-mer
5e1m
RCSB PDB
PDBbind
6-mer
5e1o
RCSB PDB
PDBbind
6-mer
5epk
RCSB PDB
PDBbind
6-mer
5epl
RCSB PDB
PDBbind
6-mer
5eq0
RCSB PDB
PDBbind
6-mer
5fot
RCSB PDB
PDBbind
6-mer
5fou
RCSB PDB
PDBbind
6-mer
5fov
RCSB PDB
PDBbind
6-mer
5fow
RCSB PDB
PDBbind
6-mer
5fox
RCSB PDB
PDBbind
6-mer
5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
RCSB PDB
PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
4x9r
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Serine/threonine-protein kinase, PLK-1 polo-box domain
Ligand Name
6-mer
EC.Number
E.C.2.7.11.21
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
IC50=0.015uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Biopolymers. Vol.104: pp.663-573
Ligand Properties
Formula
C
4
6
H
7
5
N
8
O
1
2
P
Molecular Weight
963.108
Exact Mass
962.524
No. of atoms
142
No. of bonds
145
Polar Surface Area
302.63
LOGP Value
1.89 (
Computed with XLOGP3
)
3.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 4
Canonical SMILES
OC[C@@H](C(=O)N[C@@H]([C@H](OP(O)(O)O)C)C(=O)N)NC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H](CN2C(=O)C)OCCCCCCn2cc(C1)n(CCCCCCCCc1ccccc1)c2
InChI String
InChI=1S/C46H76N8O12P/c1-31(2)24-37-43(58)48-38(44(59)50-39(29-55)45(60)51-41(42(47)57)32(3)66-67(62,63)64)25-35-27-52(30-53(35)22-16-8-6-5-7-12-18-34-19-13-11-14-20-34)21-15-9-10-17-23-65-36-26-40(46(61)49-37)54(28-36)33(4)56/h11,13-14,19-20,27,30-32,36-41,55,62-64,67H,5-10,12,15-18,21-26,28-29H2,1-4H3,(H2,47,57)(H,48,58)(H,49,61)(H,50,59)(H,51,60)/t32-,36-,37+,38+,39+,40+,41+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P53350
Entrez Gene ID
NCBI Entrez Gene ID:
5347
ASD
Information of known allosteric effects of PDB entries
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