USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 275 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 531 TYR OH : rot 151:sc= 0.144 USER MOD Single : A 532 THR OG1 : rot -61:sc= 0.475 USER MOD Single : A 542 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 543 ASN : amide:sc= 1.65 K(o=1.6,f=-0.038) USER MOD Single : A 544 THR OG1 : rot -79:sc= 1.27 USER MOD Single : A 547 THR OG1 : rot -160:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : B2327 SER OG : rot 13:sc= 0.658 USER MOD Single : B2328 TYR OH : rot 180:sc= 0 USER MOD Single : B2331 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 523 24.340 17.206 -14.503 1.00 0.00 N ATOM 117 CA LEU A 523 23.659 17.281 -15.805 1.00 0.00 C ATOM 118 C LEU A 523 23.307 18.735 -16.229 1.00 0.00 C ATOM 119 O LEU A 523 23.147 19.602 -15.361 1.00 0.00 O ATOM 120 CB LEU A 523 22.445 16.319 -15.808 1.00 0.00 C ATOM 121 CG LEU A 523 21.132 16.835 -15.171 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.967 16.678 -16.150 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.776 16.062 -13.899 1.00 0.00 C ATOM 0 HA LEU A 523 24.352 16.948 -16.578 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.234 16.045 -16.842 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.736 15.406 -15.289 1.00 0.00 H new ATOM 0 HG LEU A 523 21.295 17.884 -14.925 1.00 0.00 H new ATOM 0 HD11 LEU A 523 19.051 17.045 -15.687 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.172 17.251 -17.054 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.847 15.626 -16.407 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.848 16.454 -13.482 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.648 15.006 -14.139 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.578 16.174 -13.169 1.00 0.00 H new ATOM 135 N PRO A 524 23.160 19.025 -17.540 1.00 0.00 N ATOM 136 CA PRO A 524 22.767 20.347 -18.046 1.00 0.00 C ATOM 137 C PRO A 524 21.307 20.734 -17.700 1.00 0.00 C ATOM 138 O PRO A 524 20.467 19.857 -17.470 1.00 0.00 O ATOM 139 CB PRO A 524 23.006 20.291 -19.561 1.00 0.00 C ATOM 140 CG PRO A 524 22.908 18.806 -19.894 1.00 0.00 C ATOM 141 CD PRO A 524 23.463 18.131 -18.647 1.00 0.00 C ATOM 0 HA PRO A 524 23.358 21.129 -17.569 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.261 20.872 -20.105 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.982 20.696 -19.827 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.879 18.505 -20.091 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.489 18.553 -20.781 1.00 0.00 H new ATOM 0 HD2 PRO A 524 23.005 17.153 -18.496 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.537 17.970 -18.736 1.00 0.00 H new ATOM 149 N PRO A 525 20.973 22.042 -17.675 1.00 0.00 N ATOM 150 CA PRO A 525 19.687 22.549 -17.184 1.00 0.00 C ATOM 151 C PRO A 525 18.518 22.234 -18.133 1.00 0.00 C ATOM 152 O PRO A 525 18.452 22.749 -19.250 1.00 0.00 O ATOM 153 CB PRO A 525 19.889 24.061 -17.014 1.00 0.00 C ATOM 154 CG PRO A 525 20.972 24.400 -18.038 1.00 0.00 C ATOM 155 CD PRO A 525 21.852 23.152 -18.024 1.00 0.00 C ATOM 0 HA PRO A 525 19.410 22.065 -16.247 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.969 24.612 -17.207 1.00 0.00 H new ATOM 0 HB3 PRO A 525 20.204 24.311 -16.001 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.551 24.587 -19.026 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.531 25.292 -17.756 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.316 22.991 -18.997 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.660 23.253 -17.299 1.00 0.00 H new ATOM 163 N GLY A 526 17.564 21.413 -17.680 1.00 0.00 N ATOM 164 CA GLY A 526 16.342 21.084 -18.432 1.00 0.00 C ATOM 165 C GLY A 526 16.578 20.332 -19.751 1.00 0.00 C ATOM 166 O GLY A 526 15.788 20.477 -20.686 1.00 0.00 O ATOM 0 H GLY A 526 17.617 20.952 -16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.694 20.480 -17.797 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.806 22.008 -18.648 1.00 0.00 H new ATOM 170 N TRP A 527 17.650 19.540 -19.830 1.00 0.00 N ATOM 171 CA TRP A 527 18.065 18.755 -21.003 1.00 0.00 C ATOM 172 C TRP A 527 18.176 17.260 -20.659 1.00 0.00 C ATOM 173 O TRP A 527 18.365 16.880 -19.502 1.00 0.00 O ATOM 174 CB TRP A 527 19.426 19.275 -21.505 1.00 0.00 C ATOM 175 CG TRP A 527 19.409 20.408 -22.487 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.606 21.712 -22.191 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.265 20.352 -23.942 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.570 22.466 -23.348 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.375 21.677 -24.461 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.079 19.312 -24.879 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.298 21.958 -25.834 1.00 0.00 C ATOM 182 CZ3 TRP A 527 18.992 19.583 -26.260 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.105 20.901 -26.739 1.00 0.00 C ATOM 0 H TRP A 527 18.285 19.421 -19.041 1.00 0.00 H new ATOM 0 HA TRP A 527 17.311 18.868 -21.782 1.00 0.00 H new ATOM 0 HB2 TRP A 527 20.008 19.588 -20.638 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.958 18.441 -21.962 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.767 22.106 -21.198 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.675 23.480 -23.375 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.002 18.292 -24.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.386 22.974 -26.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.837 18.772 -26.956 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.044 21.099 -27.799 1.00 0.00 H new ATOM 194 N GLU A 528 18.125 16.414 -21.687 1.00 0.00 N ATOM 195 CA GLU A 528 18.381 14.969 -21.618 1.00 0.00 C ATOM 196 C GLU A 528 19.451 14.593 -22.659 1.00 0.00 C ATOM 197 O GLU A 528 19.560 15.225 -23.712 1.00 0.00 O ATOM 198 CB GLU A 528 17.042 14.224 -21.806 1.00 0.00 C ATOM 199 CG GLU A 528 17.123 12.697 -21.995 1.00 0.00 C ATOM 200 CD GLU A 528 17.677 11.916 -20.781 1.00 0.00 C ATOM 201 OE1 GLU A 528 17.911 12.507 -19.700 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.891 10.688 -20.911 1.00 0.00 O ATOM 0 H GLU A 528 17.895 16.726 -22.631 1.00 0.00 H new ATOM 0 HA GLU A 528 18.779 14.674 -20.647 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.414 14.427 -20.938 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.535 14.648 -22.673 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.126 12.321 -22.225 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.751 12.486 -22.861 1.00 0.00 H new ATOM 209 N ILE A 529 20.276 13.586 -22.352 1.00 0.00 N ATOM 210 CA ILE A 529 21.473 13.215 -23.124 1.00 0.00 C ATOM 211 C ILE A 529 21.578 11.689 -23.161 1.00 0.00 C ATOM 212 O ILE A 529 21.511 11.037 -22.114 1.00 0.00 O ATOM 213 CB ILE A 529 22.780 13.820 -22.535 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.647 15.253 -21.968 1.00 0.00 C ATOM 215 CG2 ILE A 529 23.861 13.823 -23.628 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.206 15.266 -20.495 1.00 0.00 C ATOM 0 H ILE A 529 20.128 12.989 -21.538 1.00 0.00 H new ATOM 0 HA ILE A 529 21.364 13.623 -24.129 1.00 0.00 H new ATOM 0 HB ILE A 529 23.041 13.187 -21.687 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.603 15.767 -22.062 1.00 0.00 H new ATOM 0 HG13 ILE A 529 21.925 15.811 -22.565 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.783 14.245 -23.227 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.045 12.801 -23.961 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.523 14.425 -24.472 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.128 16.296 -20.148 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.236 14.777 -20.401 1.00 0.00 H new ATOM 0 HD13 ILE A 529 22.940 14.734 -19.891 1.00 0.00 H new ATOM 228 N ARG A 530 21.729 11.114 -24.359 1.00 0.00 N ATOM 229 CA ARG A 530 21.689 9.659 -24.603 1.00 0.00 C ATOM 230 C ARG A 530 22.853 9.205 -25.490 1.00 0.00 C ATOM 231 O ARG A 530 23.457 10.009 -26.200 1.00 0.00 O ATOM 232 CB ARG A 530 20.328 9.267 -25.221 1.00 0.00 C ATOM 233 CG ARG A 530 19.107 9.520 -24.306 1.00 0.00 C ATOM 234 CD ARG A 530 18.344 8.241 -23.935 1.00 0.00 C ATOM 235 NE ARG A 530 19.130 7.365 -23.040 1.00 0.00 N ATOM 236 CZ ARG A 530 18.977 6.063 -22.865 1.00 0.00 C ATOM 237 NH1 ARG A 530 18.080 5.373 -23.514 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.731 5.416 -22.023 1.00 0.00 N ATOM 0 H ARG A 530 21.886 11.656 -25.209 1.00 0.00 H new ATOM 0 HA ARG A 530 21.799 9.147 -23.647 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.192 9.823 -26.148 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.355 8.210 -25.484 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.443 10.011 -23.393 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.425 10.208 -24.805 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.406 8.507 -23.449 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.089 7.695 -24.843 1.00 0.00 H new ATOM 0 HE ARG A 530 19.870 7.813 -22.499 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.466 5.837 -24.184 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.992 4.370 -23.352 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.446 5.913 -21.492 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.606 4.412 -21.894 1.00 0.00 H new ATOM 252 N TYR A 531 23.137 7.904 -25.453 1.00 0.00 N ATOM 253 CA TYR A 531 24.283 7.253 -26.097 1.00 0.00 C ATOM 254 C TYR A 531 23.791 6.009 -26.849 1.00 0.00 C ATOM 255 O TYR A 531 23.400 5.011 -26.236 1.00 0.00 O ATOM 256 CB TYR A 531 25.335 6.868 -25.039 1.00 0.00 C ATOM 257 CG TYR A 531 25.943 8.014 -24.247 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.255 8.552 -23.140 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.223 8.501 -24.579 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.836 9.581 -22.373 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.816 9.513 -23.801 1.00 0.00 C ATOM 262 CZ TYR A 531 27.124 10.056 -22.697 1.00 0.00 C ATOM 263 OH TYR A 531 27.698 11.047 -21.962 1.00 0.00 O ATOM 0 H TYR A 531 22.547 7.241 -24.950 1.00 0.00 H new ATOM 0 HA TYR A 531 24.749 7.939 -26.804 1.00 0.00 H new ATOM 0 HB2 TYR A 531 24.876 6.172 -24.337 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.142 6.331 -25.538 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.278 8.173 -22.879 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.749 8.097 -25.431 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.297 10.005 -21.539 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.803 9.875 -24.049 1.00 0.00 H new ATOM 0 HH TYR A 531 28.673 10.947 -21.982 1.00 0.00 H new ATOM 273 N THR A 532 23.745 6.083 -28.180 1.00 0.00 N ATOM 274 CA THR A 532 23.244 4.989 -29.036 1.00 0.00 C ATOM 275 C THR A 532 24.237 3.826 -29.145 1.00 0.00 C ATOM 276 O THR A 532 25.445 3.991 -28.946 1.00 0.00 O ATOM 277 CB THR A 532 22.897 5.482 -30.449 1.00 0.00 C ATOM 278 OG1 THR A 532 24.037 6.003 -31.094 1.00 0.00 O ATOM 279 CG2 THR A 532 21.792 6.538 -30.436 1.00 0.00 C ATOM 0 H THR A 532 24.053 6.903 -28.703 1.00 0.00 H new ATOM 0 HA THR A 532 22.339 4.628 -28.547 1.00 0.00 H new ATOM 0 HB THR A 532 22.532 4.616 -31.000 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.376 6.771 -30.589 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.581 6.856 -31.457 1.00 0.00 H new ATOM 0 HG22 THR A 532 20.890 6.115 -29.994 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.116 7.397 -29.848 1.00 0.00 H new ATOM 287 N ALA A 533 23.744 2.642 -29.526 1.00 0.00 N ATOM 288 CA ALA A 533 24.561 1.441 -29.740 1.00 0.00 C ATOM 289 C ALA A 533 25.624 1.583 -30.858 1.00 0.00 C ATOM 290 O ALA A 533 26.584 0.810 -30.899 1.00 0.00 O ATOM 291 CB ALA A 533 23.619 0.260 -30.008 1.00 0.00 C ATOM 0 H ALA A 533 22.750 2.489 -29.697 1.00 0.00 H new ATOM 0 HA ALA A 533 25.145 1.272 -28.835 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.206 -0.644 -30.170 1.00 0.00 H new ATOM 0 HB2 ALA A 533 22.962 0.117 -29.150 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.019 0.467 -30.894 1.00 0.00 H new ATOM 297 N ALA A 534 25.491 2.585 -31.739 1.00 0.00 N ATOM 298 CA ALA A 534 26.508 2.965 -32.725 1.00 0.00 C ATOM 299 C ALA A 534 27.771 3.617 -32.113 1.00 0.00 C ATOM 300 O ALA A 534 28.764 3.812 -32.819 1.00 0.00 O ATOM 301 CB ALA A 534 25.853 3.916 -33.735 1.00 0.00 C ATOM 0 H ALA A 534 24.654 3.166 -31.785 1.00 0.00 H new ATOM 0 HA ALA A 534 26.863 2.052 -33.203 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.588 4.216 -34.482 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.022 3.409 -34.226 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.483 4.800 -33.215 1.00 0.00 H new ATOM 307 N GLY A 535 27.744 3.979 -30.823 1.00 0.00 N ATOM 308 CA GLY A 535 28.814 4.727 -30.153 1.00 0.00 C ATOM 309 C GLY A 535 28.708 6.245 -30.352 1.00 0.00 C ATOM 310 O GLY A 535 29.721 6.943 -30.291 1.00 0.00 O ATOM 0 H GLY A 535 26.963 3.756 -30.206 1.00 0.00 H new ATOM 0 HA2 GLY A 535 28.791 4.505 -29.086 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.778 4.384 -30.529 1.00 0.00 H new ATOM 314 N GLU A 536 27.499 6.759 -30.606 1.00 0.00 N ATOM 315 CA GLU A 536 27.227 8.172 -30.909 1.00 0.00 C ATOM 316 C GLU A 536 26.301 8.783 -29.844 1.00 0.00 C ATOM 317 O GLU A 536 25.248 8.221 -29.517 1.00 0.00 O ATOM 318 CB GLU A 536 26.599 8.306 -32.312 1.00 0.00 C ATOM 319 CG GLU A 536 27.482 7.849 -33.486 1.00 0.00 C ATOM 320 CD GLU A 536 28.556 8.877 -33.903 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.175 9.534 -33.032 1.00 0.00 O ATOM 322 OE2 GLU A 536 28.799 9.022 -35.125 1.00 0.00 O ATOM 0 H GLU A 536 26.655 6.186 -30.607 1.00 0.00 H new ATOM 0 HA GLU A 536 28.170 8.718 -30.897 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.674 7.730 -32.332 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.328 9.350 -32.470 1.00 0.00 H new ATOM 0 HG2 GLU A 536 27.974 6.915 -33.215 1.00 0.00 H new ATOM 0 HG3 GLU A 536 26.845 7.636 -34.345 1.00 0.00 H new ATOM 329 N ARG A 537 26.710 9.936 -29.298 1.00 0.00 N ATOM 330 CA ARG A 537 25.971 10.720 -28.294 1.00 0.00 C ATOM 331 C ARG A 537 25.047 11.745 -28.960 1.00 0.00 C ATOM 332 O ARG A 537 25.390 12.331 -29.988 1.00 0.00 O ATOM 333 CB ARG A 537 26.989 11.376 -27.338 1.00 0.00 C ATOM 334 CG ARG A 537 26.415 12.442 -26.385 1.00 0.00 C ATOM 335 CD ARG A 537 27.432 12.766 -25.281 1.00 0.00 C ATOM 336 NE ARG A 537 27.250 14.111 -24.701 1.00 0.00 N ATOM 337 CZ ARG A 537 27.827 14.561 -23.598 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.478 13.784 -22.780 1.00 0.00 N ATOM 339 NH2 ARG A 537 27.766 15.822 -23.283 1.00 0.00 N ATOM 0 H ARG A 537 27.599 10.367 -29.552 1.00 0.00 H new ATOM 0 HA ARG A 537 25.320 10.065 -27.715 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.456 10.593 -26.740 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.778 11.834 -27.935 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.172 13.346 -26.943 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.487 12.082 -25.941 1.00 0.00 H new ATOM 0 HD2 ARG A 537 27.349 12.021 -24.489 1.00 0.00 H new ATOM 0 HD3 ARG A 537 28.440 12.686 -25.689 1.00 0.00 H new ATOM 0 HE ARG A 537 26.625 14.749 -25.193 1.00 0.00 H new ATOM 0 HH11 ARG A 537 28.558 12.787 -22.979 1.00 0.00 H new ATOM 0 HH12 ARG A 537 28.908 14.173 -21.941 1.00 0.00 H new ATOM 0 HH21 ARG A 537 27.270 16.476 -23.889 1.00 0.00 H new ATOM 0 HH22 ARG A 537 28.215 16.157 -22.430 1.00 0.00 H new ATOM 353 N PHE A 538 23.896 11.984 -28.333 1.00 0.00 N ATOM 354 CA PHE A 538 22.853 12.907 -28.787 1.00 0.00 C ATOM 355 C PHE A 538 22.223 13.652 -27.606 1.00 0.00 C ATOM 356 O PHE A 538 22.218 13.155 -26.476 1.00 0.00 O ATOM 357 CB PHE A 538 21.754 12.119 -29.517 1.00 0.00 C ATOM 358 CG PHE A 538 22.197 11.415 -30.784 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.727 10.113 -30.723 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.048 12.050 -32.029 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.105 9.451 -31.904 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.407 11.377 -33.211 1.00 0.00 C ATOM 363 CZ PHE A 538 22.939 10.080 -33.146 1.00 0.00 C ATOM 0 H PHE A 538 23.653 11.521 -27.457 1.00 0.00 H new ATOM 0 HA PHE A 538 23.312 13.634 -29.458 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.346 11.376 -28.832 1.00 0.00 H new ATOM 0 HB3 PHE A 538 20.943 12.803 -29.765 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.843 9.622 -29.768 1.00 0.00 H new ATOM 0 HD2 PHE A 538 21.657 13.056 -32.078 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.524 8.457 -31.855 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.273 11.858 -34.168 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.221 9.566 -34.053 1.00 0.00 H new ATOM 373 N PHE A 539 21.623 14.807 -27.890 1.00 0.00 N ATOM 374 CA PHE A 539 20.918 15.645 -26.921 1.00 0.00 C ATOM 375 C PHE A 539 19.432 15.765 -27.296 1.00 0.00 C ATOM 376 O PHE A 539 19.061 15.768 -28.475 1.00 0.00 O ATOM 377 CB PHE A 539 21.571 17.032 -26.859 1.00 0.00 C ATOM 378 CG PHE A 539 23.037 17.074 -26.458 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.042 16.859 -27.420 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.399 17.409 -25.138 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.398 16.992 -27.072 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.755 17.557 -24.792 1.00 0.00 C ATOM 383 CZ PHE A 539 25.754 17.364 -25.765 1.00 0.00 C ATOM 0 H PHE A 539 21.614 15.198 -28.832 1.00 0.00 H new ATOM 0 HA PHE A 539 20.985 15.180 -25.937 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.472 17.500 -27.838 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.007 17.644 -26.155 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.770 16.591 -28.430 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.634 17.553 -24.390 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.165 16.808 -27.809 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.029 17.818 -23.781 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.794 17.502 -25.507 1.00 0.00 H new ATOM 393 N VAL A 540 18.587 15.883 -26.274 1.00 0.00 N ATOM 394 CA VAL A 540 17.121 15.813 -26.330 1.00 0.00 C ATOM 395 C VAL A 540 16.544 16.985 -25.532 1.00 0.00 C ATOM 396 O VAL A 540 16.725 17.078 -24.315 1.00 0.00 O ATOM 397 CB VAL A 540 16.647 14.463 -25.746 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.126 14.398 -25.558 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.056 13.258 -26.606 1.00 0.00 C ATOM 0 H VAL A 540 18.924 16.040 -25.324 1.00 0.00 H new ATOM 0 HA VAL A 540 16.775 15.879 -27.361 1.00 0.00 H new ATOM 0 HB VAL A 540 17.144 14.408 -24.778 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.852 13.427 -25.145 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.810 15.186 -24.874 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.634 14.535 -26.521 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.694 12.340 -26.142 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.623 13.357 -27.601 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.142 13.220 -26.686 1.00 0.00 H new ATOM 409 N ASP A 541 15.841 17.884 -26.219 1.00 0.00 N ATOM 410 CA ASP A 541 15.193 19.055 -25.627 1.00 0.00 C ATOM 411 C ASP A 541 13.746 18.730 -25.230 1.00 0.00 C ATOM 412 O ASP A 541 12.801 18.962 -25.986 1.00 0.00 O ATOM 413 CB ASP A 541 15.260 20.253 -26.585 1.00 0.00 C ATOM 414 CG ASP A 541 14.594 21.482 -25.951 1.00 0.00 C ATOM 415 OD1 ASP A 541 15.002 21.874 -24.834 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.629 22.023 -26.534 1.00 0.00 O ATOM 0 H ASP A 541 15.702 17.817 -27.227 1.00 0.00 H new ATOM 0 HA ASP A 541 15.731 19.328 -24.719 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.299 20.478 -26.825 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.763 20.005 -27.523 1.00 0.00 H new ATOM 421 N HIS A 542 13.555 18.184 -24.026 1.00 0.00 N ATOM 422 CA HIS A 542 12.230 17.855 -23.468 1.00 0.00 C ATOM 423 C HIS A 542 11.247 19.047 -23.418 1.00 0.00 C ATOM 424 O HIS A 542 10.036 18.845 -23.324 1.00 0.00 O ATOM 425 CB HIS A 542 12.412 17.216 -22.074 1.00 0.00 C ATOM 426 CG HIS A 542 11.853 15.817 -21.946 1.00 0.00 C ATOM 427 ND1 HIS A 542 11.060 15.358 -20.889 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.088 14.777 -22.800 1.00 0.00 C ATOM 429 CE1 HIS A 542 10.831 14.056 -21.135 1.00 0.00 C ATOM 430 NE2 HIS A 542 11.435 13.682 -22.276 1.00 0.00 N ATOM 0 H HIS A 542 14.325 17.953 -23.398 1.00 0.00 H new ATOM 0 HA HIS A 542 11.764 17.144 -24.150 1.00 0.00 H new ATOM 0 HB2 HIS A 542 13.475 17.192 -21.836 1.00 0.00 H new ATOM 0 HB3 HIS A 542 11.933 17.854 -21.331 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.671 14.807 -23.708 1.00 0.00 H new ATOM 0 HE1 HIS A 542 10.245 13.403 -20.505 1.00 0.00 H new ATOM 0 HE2 HIS A 542 11.414 12.748 -22.684 1.00 0.00 H new ATOM 437 N ASN A 543 11.752 20.284 -23.509 1.00 0.00 N ATOM 438 CA ASN A 543 10.969 21.526 -23.504 1.00 0.00 C ATOM 439 C ASN A 543 10.162 21.762 -24.801 1.00 0.00 C ATOM 440 O ASN A 543 9.107 22.400 -24.750 1.00 0.00 O ATOM 441 CB ASN A 543 11.920 22.708 -23.236 1.00 0.00 C ATOM 442 CG ASN A 543 12.805 22.477 -22.021 1.00 0.00 C ATOM 443 OD1 ASN A 543 12.365 22.508 -20.880 1.00 0.00 O ATOM 444 ND2 ASN A 543 14.067 22.188 -22.235 1.00 0.00 N ATOM 0 H ASN A 543 12.754 20.453 -23.591 1.00 0.00 H new ATOM 0 HA ASN A 543 10.225 21.438 -22.712 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.547 22.872 -24.113 1.00 0.00 H new ATOM 0 HB3 ASN A 543 11.334 23.615 -23.088 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.685 21.988 -21.448 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.430 22.163 -23.188 1.00 0.00 H new ATOM 451 N THR A 544 10.622 21.242 -25.950 1.00 0.00 N ATOM 452 CA THR A 544 9.966 21.403 -27.273 1.00 0.00 C ATOM 453 C THR A 544 9.910 20.115 -28.110 1.00 0.00 C ATOM 454 O THR A 544 9.341 20.111 -29.205 1.00 0.00 O ATOM 455 CB THR A 544 10.636 22.498 -28.127 1.00 0.00 C ATOM 456 OG1 THR A 544 11.927 22.103 -28.532 1.00 0.00 O ATOM 457 CG2 THR A 544 10.735 23.859 -27.438 1.00 0.00 C ATOM 0 H THR A 544 11.476 20.686 -25.995 1.00 0.00 H new ATOM 0 HA THR A 544 8.945 21.690 -27.020 1.00 0.00 H new ATOM 0 HB THR A 544 9.980 22.618 -28.989 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.555 22.227 -27.790 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.218 24.571 -28.107 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.735 24.215 -27.190 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.322 23.763 -26.525 1.00 0.00 H new ATOM 465 N ARG A 545 10.489 19.017 -27.601 1.00 0.00 N ATOM 466 CA ARG A 545 10.669 17.703 -28.252 1.00 0.00 C ATOM 467 C ARG A 545 11.712 17.692 -29.388 1.00 0.00 C ATOM 468 O ARG A 545 11.847 16.684 -30.086 1.00 0.00 O ATOM 469 CB ARG A 545 9.298 17.115 -28.654 1.00 0.00 C ATOM 470 CG ARG A 545 9.231 15.595 -28.453 1.00 0.00 C ATOM 471 CD ARG A 545 7.841 15.024 -28.766 1.00 0.00 C ATOM 472 NE ARG A 545 7.569 14.999 -30.215 1.00 0.00 N ATOM 473 CZ ARG A 545 6.884 15.848 -30.954 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.288 16.901 -30.472 1.00 0.00 N ATOM 475 NH2 ARG A 545 6.800 15.613 -32.227 1.00 0.00 N ATOM 0 H ARG A 545 10.873 19.020 -26.656 1.00 0.00 H new ATOM 0 HA ARG A 545 11.112 17.036 -27.512 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.515 17.591 -28.065 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.098 17.350 -29.699 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.971 15.114 -29.093 1.00 0.00 H new ATOM 0 HG3 ARG A 545 9.496 15.355 -27.423 1.00 0.00 H new ATOM 0 HD2 ARG A 545 7.765 14.013 -28.365 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.081 15.623 -28.265 1.00 0.00 H new ATOM 0 HE ARG A 545 7.970 14.208 -30.719 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.338 17.103 -29.473 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.771 17.524 -31.093 1.00 0.00 H new ATOM 0 HH21 ARG A 545 7.256 14.792 -32.625 1.00 0.00 H new ATOM 0 HH22 ARG A 545 6.278 16.249 -32.830 1.00 0.00 H new ATOM 489 N ARG A 546 12.468 18.785 -29.571 1.00 0.00 N ATOM 490 CA ARG A 546 13.636 18.859 -30.473 1.00 0.00 C ATOM 491 C ARG A 546 14.777 17.922 -30.044 1.00 0.00 C ATOM 492 O ARG A 546 14.859 17.481 -28.897 1.00 0.00 O ATOM 493 CB ARG A 546 14.146 20.314 -30.566 1.00 0.00 C ATOM 494 CG ARG A 546 13.386 21.151 -31.614 1.00 0.00 C ATOM 495 CD ARG A 546 14.009 22.542 -31.834 1.00 0.00 C ATOM 496 NE ARG A 546 15.420 22.448 -32.269 1.00 0.00 N ATOM 497 CZ ARG A 546 16.114 23.289 -33.014 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.622 24.381 -33.521 1.00 0.00 N ATOM 499 NH2 ARG A 546 17.365 23.036 -33.272 1.00 0.00 N ATOM 0 H ARG A 546 12.283 19.664 -29.087 1.00 0.00 H new ATOM 0 HA ARG A 546 13.302 18.524 -31.455 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.051 20.790 -29.590 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.207 20.306 -30.815 1.00 0.00 H new ATOM 0 HG2 ARG A 546 13.370 20.611 -32.561 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.350 21.268 -31.296 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.433 23.084 -32.584 1.00 0.00 H new ATOM 0 HD3 ARG A 546 13.951 23.117 -30.910 1.00 0.00 H new ATOM 0 HE ARG A 546 15.925 21.621 -31.950 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.647 24.628 -33.351 1.00 0.00 H new ATOM 0 HH12 ARG A 546 16.211 24.990 -34.089 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.802 22.193 -32.899 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.908 23.681 -33.847 1.00 0.00 H new ATOM 513 N THR A 547 15.705 17.684 -30.969 1.00 0.00 N ATOM 514 CA THR A 547 16.955 16.927 -30.768 1.00 0.00 C ATOM 515 C THR A 547 18.115 17.568 -31.537 1.00 0.00 C ATOM 516 O THR A 547 17.901 18.351 -32.468 1.00 0.00 O ATOM 517 CB THR A 547 16.815 15.464 -31.227 1.00 0.00 C ATOM 518 OG1 THR A 547 16.260 15.386 -32.523 1.00 0.00 O ATOM 519 CG2 THR A 547 15.947 14.629 -30.291 1.00 0.00 C ATOM 0 H THR A 547 15.609 18.026 -31.925 1.00 0.00 H new ATOM 0 HA THR A 547 17.162 16.948 -29.698 1.00 0.00 H new ATOM 0 HB THR A 547 17.827 15.060 -31.220 1.00 0.00 H new ATOM 0 HG1 THR A 547 15.891 14.490 -32.667 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.885 13.608 -30.666 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.388 14.623 -29.294 1.00 0.00 H new ATOM 0 HG23 THR A 547 14.946 15.059 -30.243 1.00 0.00 H new ATOM 527 N THR A 548 19.355 17.250 -31.152 1.00 0.00 N ATOM 528 CA THR A 548 20.578 17.701 -31.845 1.00 0.00 C ATOM 529 C THR A 548 21.780 16.799 -31.523 1.00 0.00 C ATOM 530 O THR A 548 21.796 16.079 -30.519 1.00 0.00 O ATOM 531 CB THR A 548 20.872 19.186 -31.536 1.00 0.00 C ATOM 532 OG1 THR A 548 22.062 19.612 -32.171 1.00 0.00 O ATOM 533 CG2 THR A 548 20.996 19.495 -30.047 1.00 0.00 C ATOM 0 H THR A 548 19.546 16.664 -30.339 1.00 0.00 H new ATOM 0 HA THR A 548 20.402 17.617 -32.917 1.00 0.00 H new ATOM 0 HB THR A 548 20.007 19.726 -31.922 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.225 20.555 -31.961 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.202 20.557 -29.912 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.064 19.240 -29.544 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.811 18.910 -29.621 1.00 0.00 H new ATOM 541 N PHE A 549 22.784 16.810 -32.401 1.00 0.00 N ATOM 542 CA PHE A 549 24.022 16.027 -32.292 1.00 0.00 C ATOM 543 C PHE A 549 25.025 16.629 -31.286 1.00 0.00 C ATOM 544 O PHE A 549 25.882 15.926 -30.750 1.00 0.00 O ATOM 545 CB PHE A 549 24.673 15.956 -33.688 1.00 0.00 C ATOM 546 CG PHE A 549 23.729 15.664 -34.849 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.780 14.630 -34.749 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.775 16.442 -36.022 1.00 0.00 C ATOM 549 CE1 PHE A 549 21.886 14.372 -35.803 1.00 0.00 C ATOM 550 CE2 PHE A 549 22.888 16.182 -37.083 1.00 0.00 C ATOM 551 CZ PHE A 549 21.942 15.147 -36.973 1.00 0.00 C ATOM 0 H PHE A 549 22.759 17.387 -33.242 1.00 0.00 H new ATOM 0 HA PHE A 549 23.763 15.035 -31.922 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.174 16.904 -33.882 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.444 15.186 -33.669 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.738 14.028 -33.853 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.495 17.242 -36.108 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.158 13.580 -35.713 1.00 0.00 H new ATOM 0 HE2 PHE A 549 22.934 16.778 -37.983 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.260 14.949 -37.787 1.00 0.00 H new ATOM 561 N GLU A 550 24.921 17.934 -31.030 1.00 0.00 N ATOM 562 CA GLU A 550 25.923 18.760 -30.343 1.00 0.00 C ATOM 563 C GLU A 550 25.263 19.781 -29.390 1.00 0.00 C ATOM 564 O GLU A 550 24.076 19.673 -29.091 1.00 0.00 O ATOM 565 CB GLU A 550 26.837 19.403 -31.408 1.00 0.00 C ATOM 566 CG GLU A 550 26.144 20.390 -32.361 1.00 0.00 C ATOM 567 CD GLU A 550 27.056 20.685 -33.565 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.034 19.900 -34.544 1.00 0.00 O ATOM 569 OE2 GLU A 550 27.803 21.693 -33.541 1.00 0.00 O ATOM 0 H GLU A 550 24.100 18.471 -31.307 1.00 0.00 H new ATOM 0 HA GLU A 550 26.544 18.142 -29.694 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.648 19.924 -30.900 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.290 18.609 -32.001 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.197 19.973 -32.705 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.912 21.316 -31.834 1.00 0.00 H new ATOM 756 N PRO B2325 18.797 7.959 -35.891 1.00 0.00 N ATOM 757 CA PRO B2325 17.944 9.108 -35.592 1.00 0.00 C ATOM 758 C PRO B2325 17.628 9.176 -34.081 1.00 0.00 C ATOM 759 O PRO B2325 17.077 8.212 -33.536 1.00 0.00 O ATOM 760 CB PRO B2325 16.682 8.899 -36.438 1.00 0.00 C ATOM 761 CG PRO B2325 16.587 7.381 -36.594 1.00 0.00 C ATOM 762 CD PRO B2325 18.047 6.926 -36.596 1.00 0.00 C ATOM 0 HA PRO B2325 18.424 10.057 -35.832 1.00 0.00 H new ATOM 0 HB2 PRO B2325 15.799 9.305 -35.945 1.00 0.00 H new ATOM 0 HB3 PRO B2325 16.763 9.395 -37.405 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.027 6.928 -35.775 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.080 7.104 -37.518 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.154 5.961 -36.101 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.415 6.804 -37.615 1.00 0.00 H new ATOM 770 N PRO B2326 17.939 10.282 -33.376 1.00 0.00 N ATOM 771 CA PRO B2326 17.548 10.455 -31.978 1.00 0.00 C ATOM 772 C PRO B2326 16.031 10.678 -31.874 1.00 0.00 C ATOM 773 O PRO B2326 15.459 11.524 -32.566 1.00 0.00 O ATOM 774 CB PRO B2326 18.356 11.656 -31.479 1.00 0.00 C ATOM 775 CG PRO B2326 18.537 12.502 -32.738 1.00 0.00 C ATOM 776 CD PRO B2326 18.658 11.459 -33.849 1.00 0.00 C ATOM 0 HA PRO B2326 17.756 9.576 -31.368 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.825 12.203 -30.699 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.314 11.350 -31.058 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.689 13.167 -32.901 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.426 13.129 -32.677 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.230 11.830 -34.780 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.703 11.223 -34.050 1.00 0.00 H new ATOM 784 N SER B2327 15.361 9.905 -31.019 1.00 0.00 N ATOM 785 CA SER B2327 13.908 9.966 -30.786 1.00 0.00 C ATOM 786 C SER B2327 13.580 9.362 -29.418 1.00 0.00 C ATOM 787 O SER B2327 13.405 8.150 -29.290 1.00 0.00 O ATOM 788 CB SER B2327 13.134 9.224 -31.890 1.00 0.00 C ATOM 789 OG SER B2327 13.189 9.921 -33.122 1.00 0.00 O ATOM 0 H SER B2327 15.823 9.196 -30.450 1.00 0.00 H new ATOM 0 HA SER B2327 13.601 11.012 -30.807 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.549 8.224 -32.018 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.094 9.101 -31.587 1.00 0.00 H new ATOM 0 HG SER B2327 13.870 10.624 -33.070 1.00 0.00 H new ATOM 795 N TYR B2328 13.543 10.205 -28.383 1.00 0.00 N ATOM 796 CA TYR B2328 13.215 9.799 -27.011 1.00 0.00 C ATOM 797 C TYR B2328 11.703 9.956 -26.772 1.00 0.00 C ATOM 798 O TYR B2328 10.936 9.046 -27.094 1.00 0.00 O ATOM 799 CB TYR B2328 14.115 10.591 -26.046 1.00 0.00 C ATOM 800 CG TYR B2328 14.032 10.188 -24.584 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.428 8.894 -24.190 1.00 0.00 C ATOM 802 CD2 TYR B2328 13.620 11.120 -23.610 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.407 8.528 -22.829 1.00 0.00 C ATOM 804 CE2 TYR B2328 13.600 10.759 -22.248 1.00 0.00 C ATOM 805 CZ TYR B2328 13.995 9.463 -21.853 1.00 0.00 C ATOM 806 OH TYR B2328 13.978 9.126 -20.534 1.00 0.00 O ATOM 0 H TYR B2328 13.742 11.201 -28.474 1.00 0.00 H new ATOM 0 HA TYR B2328 13.421 8.744 -26.831 1.00 0.00 H new ATOM 0 HB2 TYR B2328 15.149 10.486 -26.374 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.861 11.648 -26.127 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.749 8.180 -24.934 1.00 0.00 H new ATOM 0 HD2 TYR B2328 13.319 12.113 -23.908 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.706 7.533 -22.532 1.00 0.00 H new ATOM 0 HE2 TYR B2328 13.282 11.475 -21.505 1.00 0.00 H new ATOM 0 HH TYR B2328 13.669 9.891 -20.005 1.00 0.00 H new ATOM 816 N GLU B2329 11.238 11.132 -26.332 1.00 0.00 N ATOM 817 CA GLU B2329 9.803 11.442 -26.186 1.00 0.00 C ATOM 818 C GLU B2329 9.039 11.335 -27.520 1.00 0.00 C ATOM 819 O GLU B2329 7.878 10.937 -27.536 1.00 0.00 O ATOM 820 CB GLU B2329 9.622 12.838 -25.558 1.00 0.00 C ATOM 821 CG GLU B2329 8.779 12.836 -24.274 1.00 0.00 C ATOM 822 CD GLU B2329 7.276 12.589 -24.508 1.00 0.00 C ATOM 823 OE1 GLU B2329 6.634 13.362 -25.257 1.00 0.00 O ATOM 824 OE2 GLU B2329 6.709 11.662 -23.878 1.00 0.00 O ATOM 0 H GLU B2329 11.849 11.904 -26.064 1.00 0.00 H new ATOM 0 HA GLU B2329 9.373 10.694 -25.520 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.604 13.256 -25.336 1.00 0.00 H new ATOM 0 HB3 GLU B2329 9.153 13.497 -26.289 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.162 12.068 -23.602 1.00 0.00 H new ATOM 0 HG3 GLU B2329 8.904 13.793 -23.768 1.00 0.00 H new ATOM 831 N ASP B2330 9.702 11.623 -28.648 1.00 0.00 N ATOM 832 CA ASP B2330 9.140 11.485 -30.001 1.00 0.00 C ATOM 833 C ASP B2330 8.891 10.021 -30.435 1.00 0.00 C ATOM 834 O ASP B2330 8.163 9.784 -31.400 1.00 0.00 O ATOM 835 CB ASP B2330 10.055 12.211 -31.001 1.00 0.00 C ATOM 836 CG ASP B2330 9.337 12.516 -32.328 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.335 13.272 -32.292 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.790 12.053 -33.401 1.00 0.00 O ATOM 0 H ASP B2330 10.663 11.965 -28.647 1.00 0.00 H new ATOM 0 HA ASP B2330 8.152 11.945 -29.987 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.408 13.142 -30.558 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.934 11.598 -31.198 1.00 0.00 H new ATOM 843 N CYS B2331 9.453 9.037 -29.717 1.00 0.00 N ATOM 844 CA CYS B2331 9.213 7.605 -29.939 1.00 0.00 C ATOM 845 C CYS B2331 8.195 7.024 -28.937 1.00 0.00 C ATOM 846 O CYS B2331 7.328 6.239 -29.326 1.00 0.00 O ATOM 847 CB CYS B2331 10.561 6.874 -29.855 1.00 0.00 C ATOM 848 SG CYS B2331 10.383 5.116 -30.279 1.00 0.00 S ATOM 0 H CYS B2331 10.100 9.219 -28.950 1.00 0.00 H new ATOM 0 HA CYS B2331 8.773 7.464 -30.926 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.275 7.343 -30.532 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.967 6.969 -28.848 1.00 0.00 H new ATOM 0 HG CYS B2331 11.541 4.531 -30.199 1.00 0.00 H new ATOM 854 N ILE B2332 8.245 7.437 -27.662 1.00 0.00 N ATOM 855 CA ILE B2332 7.375 6.916 -26.585 1.00 0.00 C ATOM 856 C ILE B2332 5.998 7.622 -26.487 1.00 0.00 C ATOM 857 O ILE B2332 5.407 7.693 -25.404 1.00 0.00 O ATOM 858 CB ILE B2332 8.125 6.853 -25.230 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.529 8.238 -24.681 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.360 5.938 -25.340 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.674 8.258 -23.155 1.00 0.00 C ATOM 0 H ILE B2332 8.898 8.152 -27.341 1.00 0.00 H new ATOM 0 HA ILE B2332 7.129 5.892 -26.865 1.00 0.00 H new ATOM 0 HB ILE B2332 7.420 6.434 -24.512 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.473 8.541 -25.134 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.782 8.973 -24.979 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.875 5.905 -24.380 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.044 4.932 -25.617 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.036 6.329 -26.101 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.959 9.258 -22.830 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.724 7.984 -22.696 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.442 7.546 -22.853 1.00 0.00 H new