USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 481 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00488) USER MOD Single : A 485 CYS SG : rot 170:sc= 0 USER MOD Single : A 486 ASN : amide:sc= -0.0478 K(o=-0.048,f=-3.9!) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 493 ASN : amide:sc= 0.932 K(o=0.93,f=-0.22) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0.00415 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.064) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.239 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.483 2.274 7.636 1.00 0.00 N ATOM 75 CA LYS A 481 13.991 1.264 8.589 1.00 0.00 C ATOM 76 C LYS A 481 12.836 1.835 9.422 1.00 0.00 C ATOM 77 O LYS A 481 12.393 2.969 9.221 1.00 0.00 O ATOM 78 CB LYS A 481 15.157 0.795 9.498 1.00 0.00 C ATOM 79 CG LYS A 481 15.070 -0.697 9.884 1.00 0.00 C ATOM 80 CD LYS A 481 15.813 -1.632 8.914 1.00 0.00 C ATOM 81 CE LYS A 481 17.346 -1.497 8.962 1.00 0.00 C ATOM 82 NZ LYS A 481 17.923 -1.981 10.248 1.00 0.00 N ATOM 0 HA LYS A 481 13.611 0.403 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.102 0.976 8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.165 1.398 10.406 1.00 0.00 H new ATOM 0 HG2 LYS A 481 15.479 -0.828 10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.021 -0.991 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.542 -2.663 9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 481 15.473 -1.429 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 481 17.783 -2.060 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 481 17.620 -0.452 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 18.959 -1.900 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 17.555 -1.406 11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 17.658 -2.976 10.395 1.00 0.00 H new ATOM 96 N TRP A 482 12.383 1.046 10.386 1.00 0.00 N ATOM 97 CA TRP A 482 11.406 1.422 11.399 1.00 0.00 C ATOM 98 C TRP A 482 12.114 1.809 12.704 1.00 0.00 C ATOM 99 O TRP A 482 12.965 1.063 13.201 1.00 0.00 O ATOM 100 CB TRP A 482 10.461 0.228 11.622 1.00 0.00 C ATOM 101 CG TRP A 482 10.160 -0.620 10.420 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.281 -1.966 10.354 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.787 -0.196 9.070 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.042 -2.398 9.065 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.754 -1.346 8.223 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.523 1.051 8.477 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.489 -1.260 6.849 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.276 1.150 7.090 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.256 0.003 6.278 1.00 0.00 C ATOM 0 H TRP A 482 12.701 0.082 10.488 1.00 0.00 H new ATOM 0 HA TRP A 482 10.832 2.287 11.067 1.00 0.00 H new ATOM 0 HB2 TRP A 482 10.894 -0.411 12.391 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.519 0.608 12.017 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.528 -2.608 11.187 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.075 -3.375 8.772 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.509 1.942 9.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.464 -2.151 6.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.100 2.119 6.648 1.00 0.00 H new ATOM 0 HH2 TRP A 482 9.062 0.092 5.219 1.00 0.00 H new ATOM 120 N VAL A 483 11.755 2.958 13.280 1.00 0.00 N ATOM 121 CA VAL A 483 12.310 3.451 14.554 1.00 0.00 C ATOM 122 C VAL A 483 11.216 3.999 15.468 1.00 0.00 C ATOM 123 O VAL A 483 10.324 4.724 15.024 1.00 0.00 O ATOM 124 CB VAL A 483 13.413 4.511 14.344 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.692 3.872 13.796 1.00 0.00 C ATOM 126 CG2 VAL A 483 13.020 5.664 13.409 1.00 0.00 C ATOM 0 H VAL A 483 11.061 3.585 12.873 1.00 0.00 H new ATOM 0 HA VAL A 483 12.768 2.590 15.040 1.00 0.00 H new ATOM 0 HB VAL A 483 13.574 4.933 15.336 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.452 4.641 13.657 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.056 3.124 14.501 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.479 3.395 12.839 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.854 6.360 13.320 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.772 5.266 12.425 1.00 0.00 H new ATOM 0 HG23 VAL A 483 12.154 6.185 13.818 1.00 0.00 H new ATOM 136 N LEU A 484 11.285 3.623 16.746 1.00 0.00 N ATOM 137 CA LEU A 484 10.369 4.057 17.803 1.00 0.00 C ATOM 138 C LEU A 484 10.787 5.429 18.358 1.00 0.00 C ATOM 139 O LEU A 484 11.978 5.733 18.464 1.00 0.00 O ATOM 140 CB LEU A 484 10.366 2.962 18.894 1.00 0.00 C ATOM 141 CG LEU A 484 9.624 3.317 20.197 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.126 3.531 19.966 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.810 2.246 21.274 1.00 0.00 C ATOM 0 H LEU A 484 12.005 2.986 17.086 1.00 0.00 H new ATOM 0 HA LEU A 484 9.359 4.184 17.414 1.00 0.00 H new ATOM 0 HB2 LEU A 484 9.917 2.061 18.476 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.399 2.719 19.141 1.00 0.00 H new ATOM 0 HG LEU A 484 10.068 4.251 20.543 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.644 3.779 20.912 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.980 4.348 19.259 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.686 2.619 19.563 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.270 2.538 22.175 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.423 1.294 20.911 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.870 2.142 21.505 1.00 0.00 H new ATOM 155 N CYS A 485 9.800 6.225 18.773 1.00 0.00 N ATOM 156 CA CYS A 485 9.993 7.472 19.503 1.00 0.00 C ATOM 157 C CYS A 485 10.097 7.224 21.024 1.00 0.00 C ATOM 158 O CYS A 485 9.131 6.800 21.661 1.00 0.00 O ATOM 159 CB CYS A 485 8.838 8.425 19.151 1.00 0.00 C ATOM 160 SG CYS A 485 9.341 9.500 17.776 1.00 0.00 S ATOM 0 H CYS A 485 8.817 6.011 18.604 1.00 0.00 H new ATOM 0 HA CYS A 485 10.937 7.931 19.208 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.952 7.854 18.875 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.571 9.027 20.019 1.00 0.00 H new ATOM 0 HG CYS A 485 8.307 10.154 17.336 1.00 0.00 H new ATOM 166 N ASN A 486 11.261 7.516 21.613 1.00 0.00 N ATOM 167 CA ASN A 486 11.514 7.518 23.060 1.00 0.00 C ATOM 168 C ASN A 486 10.780 8.648 23.816 1.00 0.00 C ATOM 169 O ASN A 486 10.397 8.467 24.973 1.00 0.00 O ATOM 170 CB ASN A 486 13.027 7.689 23.293 1.00 0.00 C ATOM 171 CG ASN A 486 13.871 6.595 22.672 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.596 6.804 21.711 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.805 5.397 23.198 1.00 0.00 N ATOM 0 H ASN A 486 12.089 7.768 21.073 1.00 0.00 H new ATOM 0 HA ASN A 486 11.137 6.572 23.448 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.341 8.651 22.887 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.219 7.718 24.366 1.00 0.00 H new ATOM 0 HD21 ASN A 486 14.360 4.636 22.805 1.00 0.00 H new ATOM 0 HD22 ASN A 486 13.199 5.225 24.000 1.00 0.00 H new ATOM 180 N TYR A 487 10.588 9.800 23.158 1.00 0.00 N ATOM 181 CA TYR A 487 9.999 11.032 23.710 1.00 0.00 C ATOM 182 C TYR A 487 9.076 11.706 22.676 1.00 0.00 C ATOM 183 O TYR A 487 9.135 11.403 21.481 1.00 0.00 O ATOM 184 CB TYR A 487 11.100 12.020 24.136 1.00 0.00 C ATOM 185 CG TYR A 487 12.144 11.473 25.090 1.00 0.00 C ATOM 186 CD1 TYR A 487 11.919 11.476 26.481 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.360 10.977 24.581 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.900 10.973 27.355 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.340 10.464 25.447 1.00 0.00 C ATOM 190 CZ TYR A 487 14.114 10.460 26.842 1.00 0.00 C ATOM 191 OH TYR A 487 15.053 9.973 27.695 1.00 0.00 O ATOM 0 H TYR A 487 10.852 9.905 22.178 1.00 0.00 H new ATOM 0 HA TYR A 487 9.411 10.756 24.585 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.606 12.379 23.240 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.626 12.884 24.602 1.00 0.00 H new ATOM 0 HD1 TYR A 487 10.992 11.865 26.877 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.540 10.991 23.516 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.726 10.979 28.421 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.264 10.073 25.047 1.00 0.00 H new ATOM 0 HH TYR A 487 15.827 9.658 27.184 1.00 0.00 H new ATOM 201 N ASP A 488 8.227 12.628 23.133 1.00 0.00 N ATOM 202 CA ASP A 488 7.398 13.477 22.270 1.00 0.00 C ATOM 203 C ASP A 488 8.135 14.743 21.780 1.00 0.00 C ATOM 204 O ASP A 488 9.121 15.188 22.379 1.00 0.00 O ATOM 205 CB ASP A 488 6.102 13.849 23.005 1.00 0.00 C ATOM 206 CG ASP A 488 6.339 14.801 24.191 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.739 14.324 25.280 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.102 16.024 24.044 1.00 0.00 O ATOM 0 H ASP A 488 8.093 12.810 24.128 1.00 0.00 H new ATOM 0 HA ASP A 488 7.162 12.900 21.376 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.413 14.317 22.302 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.621 12.940 23.366 1.00 0.00 H new ATOM 213 N PHE A 489 7.633 15.333 20.693 1.00 0.00 N ATOM 214 CA PHE A 489 8.152 16.538 20.038 1.00 0.00 C ATOM 215 C PHE A 489 7.036 17.250 19.236 1.00 0.00 C ATOM 216 O PHE A 489 6.021 16.644 18.891 1.00 0.00 O ATOM 217 CB PHE A 489 9.321 16.114 19.130 1.00 0.00 C ATOM 218 CG PHE A 489 10.050 17.244 18.431 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.728 18.229 19.177 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.049 17.314 17.025 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.374 19.292 18.520 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.701 18.371 16.371 1.00 0.00 C ATOM 223 CZ PHE A 489 11.357 19.362 17.118 1.00 0.00 C ATOM 0 H PHE A 489 6.809 14.964 20.220 1.00 0.00 H new ATOM 0 HA PHE A 489 8.506 17.253 20.780 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.041 15.558 19.730 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.940 15.428 18.373 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.752 18.168 20.255 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.545 16.552 16.448 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.882 20.053 19.093 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.698 18.422 15.292 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.850 20.180 16.613 1.00 0.00 H new ATOM 233 N GLN A 490 7.220 18.531 18.907 1.00 0.00 N ATOM 234 CA GLN A 490 6.244 19.346 18.161 1.00 0.00 C ATOM 235 C GLN A 490 6.937 20.169 17.077 1.00 0.00 C ATOM 236 O GLN A 490 7.966 20.800 17.334 1.00 0.00 O ATOM 237 CB GLN A 490 5.482 20.296 19.100 1.00 0.00 C ATOM 238 CG GLN A 490 4.481 19.573 20.004 1.00 0.00 C ATOM 239 CD GLN A 490 3.640 20.570 20.806 1.00 0.00 C ATOM 240 OE1 GLN A 490 2.521 20.917 20.445 1.00 0.00 O ATOM 241 NE2 GLN A 490 4.141 21.087 21.911 1.00 0.00 N ATOM 0 H GLN A 490 8.066 19.045 19.154 1.00 0.00 H new ATOM 0 HA GLN A 490 5.537 18.658 17.697 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.198 20.836 19.720 1.00 0.00 H new ATOM 0 HB3 GLN A 490 4.953 21.039 18.504 1.00 0.00 H new ATOM 0 HG2 GLN A 490 3.827 18.946 19.398 1.00 0.00 H new ATOM 0 HG3 GLN A 490 5.015 18.912 20.686 1.00 0.00 H new ATOM 0 HE21 GLN A 490 5.070 20.811 22.228 1.00 0.00 H new ATOM 0 HE22 GLN A 490 3.599 21.763 22.449 1.00 0.00 H new ATOM 250 N ALA A 491 6.344 20.204 15.884 1.00 0.00 N ATOM 251 CA ALA A 491 6.894 20.936 14.745 1.00 0.00 C ATOM 252 C ALA A 491 6.807 22.455 14.973 1.00 0.00 C ATOM 253 O ALA A 491 5.731 23.055 14.873 1.00 0.00 O ATOM 254 CB ALA A 491 6.185 20.521 13.450 1.00 0.00 C ATOM 0 H ALA A 491 5.467 19.724 15.680 1.00 0.00 H new ATOM 0 HA ALA A 491 7.949 20.682 14.647 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.606 21.075 12.611 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.324 19.452 13.285 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.120 20.740 13.532 1.00 0.00 H new ATOM 260 N ARG A 492 7.945 23.088 15.273 1.00 0.00 N ATOM 261 CA ARG A 492 8.068 24.550 15.392 1.00 0.00 C ATOM 262 C ARG A 492 8.133 25.244 14.025 1.00 0.00 C ATOM 263 O ARG A 492 7.893 26.449 13.938 1.00 0.00 O ATOM 264 CB ARG A 492 9.309 24.900 16.232 1.00 0.00 C ATOM 265 CG ARG A 492 9.272 24.317 17.659 1.00 0.00 C ATOM 266 CD ARG A 492 10.370 23.273 17.925 1.00 0.00 C ATOM 267 NE ARG A 492 10.627 23.107 19.369 1.00 0.00 N ATOM 268 CZ ARG A 492 10.009 22.306 20.217 1.00 0.00 C ATOM 269 NH1 ARG A 492 9.061 21.492 19.852 1.00 0.00 N ATOM 270 NH2 ARG A 492 10.336 22.308 21.478 1.00 0.00 N ATOM 0 H ARG A 492 8.822 22.595 15.443 1.00 0.00 H new ATOM 0 HA ARG A 492 7.171 24.917 15.891 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.199 24.532 15.721 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.402 25.984 16.294 1.00 0.00 H new ATOM 0 HG2 ARG A 492 9.373 25.130 18.378 1.00 0.00 H new ATOM 0 HG3 ARG A 492 8.298 23.859 17.831 1.00 0.00 H new ATOM 0 HD2 ARG A 492 10.074 22.316 17.496 1.00 0.00 H new ATOM 0 HD3 ARG A 492 11.289 23.576 17.424 1.00 0.00 H new ATOM 0 HE ARG A 492 11.374 23.682 19.760 1.00 0.00 H new ATOM 0 HH11 ARG A 492 8.768 21.455 18.876 1.00 0.00 H new ATOM 0 HH12 ARG A 492 8.611 20.891 20.542 1.00 0.00 H new ATOM 0 HH21 ARG A 492 11.072 22.930 21.813 1.00 0.00 H new ATOM 0 HH22 ARG A 492 9.856 21.688 22.130 1.00 0.00 H new ATOM 284 N ASN A 493 8.442 24.484 12.966 1.00 0.00 N ATOM 285 CA ASN A 493 8.624 24.974 11.586 1.00 0.00 C ATOM 286 C ASN A 493 8.140 23.936 10.547 1.00 0.00 C ATOM 287 O ASN A 493 7.786 22.810 10.904 1.00 0.00 O ATOM 288 CB ASN A 493 10.115 25.323 11.359 1.00 0.00 C ATOM 289 CG ASN A 493 10.674 26.344 12.340 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.518 27.549 12.180 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.350 25.900 13.376 1.00 0.00 N ATOM 0 H ASN A 493 8.578 23.476 13.045 1.00 0.00 H new ATOM 0 HA ASN A 493 8.017 25.870 11.452 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.705 24.409 11.428 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.237 25.705 10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.745 26.558 14.047 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.479 24.897 13.509 1.00 0.00 H new ATOM 298 N SER A 494 8.156 24.283 9.254 1.00 0.00 N ATOM 299 CA SER A 494 7.781 23.353 8.163 1.00 0.00 C ATOM 300 C SER A 494 8.872 22.323 7.817 1.00 0.00 C ATOM 301 O SER A 494 8.576 21.288 7.219 1.00 0.00 O ATOM 302 CB SER A 494 7.447 24.120 6.881 1.00 0.00 C ATOM 303 OG SER A 494 6.362 25.017 7.066 1.00 0.00 O ATOM 0 H SER A 494 8.427 25.211 8.928 1.00 0.00 H new ATOM 0 HA SER A 494 6.912 22.816 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.325 24.676 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.202 23.413 6.089 1.00 0.00 H new ATOM 0 HG SER A 494 6.181 25.489 6.226 1.00 0.00 H new ATOM 309 N SER A 495 10.134 22.588 8.184 1.00 0.00 N ATOM 310 CA SER A 495 11.266 21.653 8.022 1.00 0.00 C ATOM 311 C SER A 495 11.226 20.452 8.975 1.00 0.00 C ATOM 312 O SER A 495 11.965 19.485 8.802 1.00 0.00 O ATOM 313 CB SER A 495 12.594 22.402 8.189 1.00 0.00 C ATOM 314 OG SER A 495 12.605 23.152 9.395 1.00 0.00 O ATOM 0 H SER A 495 10.406 23.474 8.610 1.00 0.00 H new ATOM 0 HA SER A 495 11.178 21.247 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.420 21.690 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.750 23.068 7.340 1.00 0.00 H new ATOM 0 HG SER A 495 13.462 23.620 9.481 1.00 0.00 H new ATOM 320 N GLU A 496 10.343 20.482 9.964 1.00 0.00 N ATOM 321 CA GLU A 496 10.239 19.521 11.057 1.00 0.00 C ATOM 322 C GLU A 496 8.815 18.956 11.184 1.00 0.00 C ATOM 323 O GLU A 496 7.901 19.303 10.429 1.00 0.00 O ATOM 324 CB GLU A 496 10.745 20.166 12.362 1.00 0.00 C ATOM 325 CG GLU A 496 10.132 21.535 12.651 1.00 0.00 C ATOM 326 CD GLU A 496 10.801 22.184 13.871 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.442 21.810 15.006 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.635 23.107 13.694 1.00 0.00 O ATOM 0 H GLU A 496 9.640 21.218 10.030 1.00 0.00 H new ATOM 0 HA GLU A 496 10.876 18.663 10.839 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.527 19.498 13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.829 20.267 12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.247 22.181 11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.062 21.429 12.830 1.00 0.00 H new ATOM 335 N LEU A 497 8.650 18.044 12.139 1.00 0.00 N ATOM 336 CA LEU A 497 7.433 17.252 12.353 1.00 0.00 C ATOM 337 C LEU A 497 7.030 17.135 13.832 1.00 0.00 C ATOM 338 O LEU A 497 7.821 17.381 14.741 1.00 0.00 O ATOM 339 CB LEU A 497 7.617 15.845 11.752 1.00 0.00 C ATOM 340 CG LEU A 497 7.591 15.749 10.219 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.885 14.299 9.835 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.244 16.149 9.607 1.00 0.00 C ATOM 0 H LEU A 497 9.385 17.825 12.812 1.00 0.00 H new ATOM 0 HA LEU A 497 6.624 17.782 11.851 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.568 15.445 12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.834 15.199 12.148 1.00 0.00 H new ATOM 0 HG LEU A 497 8.336 16.445 9.833 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.873 14.200 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.866 14.014 10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.126 13.647 10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.296 16.058 8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.462 15.493 9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 497 6.015 17.181 9.874 1.00 0.00 H new ATOM 354 N SER A 498 5.767 16.758 14.051 1.00 0.00 N ATOM 355 CA SER A 498 5.133 16.614 15.367 1.00 0.00 C ATOM 356 C SER A 498 4.846 15.134 15.639 1.00 0.00 C ATOM 357 O SER A 498 4.029 14.517 14.947 1.00 0.00 O ATOM 358 CB SER A 498 3.837 17.437 15.391 1.00 0.00 C ATOM 359 OG SER A 498 3.329 17.530 16.709 1.00 0.00 O ATOM 0 H SER A 498 5.131 16.535 13.285 1.00 0.00 H new ATOM 0 HA SER A 498 5.798 16.983 16.148 1.00 0.00 H new ATOM 0 HB2 SER A 498 4.027 18.436 14.998 1.00 0.00 H new ATOM 0 HB3 SER A 498 3.094 16.974 14.741 1.00 0.00 H new ATOM 0 HG SER A 498 2.504 18.059 16.705 1.00 0.00 H new ATOM 365 N VAL A 499 5.541 14.556 16.623 1.00 0.00 N ATOM 366 CA VAL A 499 5.539 13.112 16.929 1.00 0.00 C ATOM 367 C VAL A 499 5.427 12.883 18.437 1.00 0.00 C ATOM 368 O VAL A 499 5.767 13.756 19.235 1.00 0.00 O ATOM 369 CB VAL A 499 6.794 12.390 16.377 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.913 12.500 14.853 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.115 12.883 16.985 1.00 0.00 C ATOM 0 H VAL A 499 6.141 15.091 17.251 1.00 0.00 H new ATOM 0 HA VAL A 499 4.669 12.684 16.431 1.00 0.00 H new ATOM 0 HB VAL A 499 6.639 11.352 16.670 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.809 11.977 14.519 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.036 12.051 14.386 1.00 0.00 H new ATOM 0 HG13 VAL A 499 6.978 13.550 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.946 12.329 16.548 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.237 13.946 16.776 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.101 12.724 18.063 1.00 0.00 H new ATOM 381 N LYS A 500 4.986 11.695 18.852 1.00 0.00 N ATOM 382 CA LYS A 500 4.809 11.342 20.269 1.00 0.00 C ATOM 383 C LYS A 500 5.578 10.072 20.610 1.00 0.00 C ATOM 384 O LYS A 500 5.827 9.224 19.752 1.00 0.00 O ATOM 385 CB LYS A 500 3.313 11.225 20.607 1.00 0.00 C ATOM 386 CG LYS A 500 2.610 12.591 20.503 1.00 0.00 C ATOM 387 CD LYS A 500 1.123 12.536 20.879 1.00 0.00 C ATOM 388 CE LYS A 500 0.302 11.739 19.855 1.00 0.00 C ATOM 389 NZ LYS A 500 -1.150 11.773 20.171 1.00 0.00 N ATOM 0 H LYS A 500 4.738 10.941 18.211 1.00 0.00 H new ATOM 0 HA LYS A 500 5.222 12.139 20.887 1.00 0.00 H new ATOM 0 HB2 LYS A 500 2.839 10.516 19.928 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.195 10.828 21.615 1.00 0.00 H new ATOM 0 HG2 LYS A 500 3.117 13.304 21.154 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.707 12.966 19.484 1.00 0.00 H new ATOM 0 HD2 LYS A 500 1.014 12.082 21.864 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.729 13.550 20.950 1.00 0.00 H new ATOM 0 HE2 LYS A 500 0.467 12.148 18.858 1.00 0.00 H new ATOM 0 HE3 LYS A 500 0.647 10.705 19.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -1.673 11.225 19.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 -1.310 11.360 21.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 -1.484 12.758 20.163 1.00 0.00 H new ATOM 403 N GLN A 501 5.961 9.944 21.878 1.00 0.00 N ATOM 404 CA GLN A 501 6.541 8.713 22.406 1.00 0.00 C ATOM 405 C GLN A 501 5.612 7.512 22.177 1.00 0.00 C ATOM 406 O GLN A 501 4.385 7.656 22.140 1.00 0.00 O ATOM 407 CB GLN A 501 6.930 8.867 23.885 1.00 0.00 C ATOM 408 CG GLN A 501 5.834 9.461 24.786 1.00 0.00 C ATOM 409 CD GLN A 501 6.101 9.174 26.264 1.00 0.00 C ATOM 410 OE1 GLN A 501 5.550 8.252 26.855 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.954 9.932 26.923 1.00 0.00 N ATOM 0 H GLN A 501 5.878 10.691 22.568 1.00 0.00 H new ATOM 0 HA GLN A 501 7.459 8.515 21.853 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.210 7.889 24.275 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.815 9.500 23.949 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.778 10.538 24.629 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.866 9.046 24.504 1.00 0.00 H new ATOM 0 HE21 GLN A 501 7.422 10.704 26.449 1.00 0.00 H new ATOM 0 HE22 GLN A 501 7.146 9.747 27.908 1.00 0.00 H new ATOM 420 N ARG A 502 6.220 6.328 22.047 1.00 0.00 N ATOM 421 CA ARG A 502 5.545 5.040 21.792 1.00 0.00 C ATOM 422 C ARG A 502 4.938 4.917 20.376 1.00 0.00 C ATOM 423 O ARG A 502 4.119 4.027 20.135 1.00 0.00 O ATOM 424 CB ARG A 502 4.526 4.698 22.904 1.00 0.00 C ATOM 425 CG ARG A 502 4.978 4.959 24.355 1.00 0.00 C ATOM 426 CD ARG A 502 6.240 4.194 24.772 1.00 0.00 C ATOM 427 NE ARG A 502 6.042 2.732 24.695 1.00 0.00 N ATOM 428 CZ ARG A 502 6.971 1.800 24.793 1.00 0.00 C ATOM 429 NH1 ARG A 502 8.222 2.085 25.028 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.655 0.544 24.656 1.00 0.00 N ATOM 0 H ARG A 502 7.233 6.231 22.118 1.00 0.00 H new ATOM 0 HA ARG A 502 6.330 4.285 21.824 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.617 5.271 22.722 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.262 3.644 22.813 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.157 6.027 24.481 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.165 4.690 25.030 1.00 0.00 H new ATOM 0 HD2 ARG A 502 7.071 4.483 24.128 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.514 4.471 25.790 1.00 0.00 H new ATOM 0 HE ARG A 502 5.085 2.409 24.551 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.511 3.056 25.143 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.911 1.336 25.097 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.687 0.279 24.472 1.00 0.00 H new ATOM 0 HH22 ARG A 502 7.375 -0.174 24.732 1.00 0.00 H new ATOM 444 N ASP A 503 5.366 5.766 19.435 1.00 0.00 N ATOM 445 CA ASP A 503 5.010 5.694 18.004 1.00 0.00 C ATOM 446 C ASP A 503 6.220 5.264 17.164 1.00 0.00 C ATOM 447 O ASP A 503 7.360 5.542 17.538 1.00 0.00 O ATOM 448 CB ASP A 503 4.513 7.059 17.484 1.00 0.00 C ATOM 449 CG ASP A 503 3.135 7.492 18.019 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.320 6.629 18.431 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.821 8.706 17.946 1.00 0.00 O ATOM 0 H ASP A 503 5.987 6.546 19.649 1.00 0.00 H new ATOM 0 HA ASP A 503 4.212 4.957 17.908 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.246 7.821 17.749 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.469 7.023 16.395 1.00 0.00 H new ATOM 456 N VAL A 504 5.984 4.628 16.011 1.00 0.00 N ATOM 457 CA VAL A 504 7.035 4.120 15.103 1.00 0.00 C ATOM 458 C VAL A 504 6.912 4.795 13.732 1.00 0.00 C ATOM 459 O VAL A 504 5.804 4.969 13.216 1.00 0.00 O ATOM 460 CB VAL A 504 6.973 2.583 14.971 1.00 0.00 C ATOM 461 CG1 VAL A 504 8.060 2.021 14.041 1.00 0.00 C ATOM 462 CG2 VAL A 504 7.156 1.882 16.328 1.00 0.00 C ATOM 0 H VAL A 504 5.040 4.445 15.670 1.00 0.00 H new ATOM 0 HA VAL A 504 8.007 4.368 15.531 1.00 0.00 H new ATOM 0 HB VAL A 504 5.984 2.384 14.557 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.967 0.936 13.987 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.941 2.446 13.044 1.00 0.00 H new ATOM 0 HG13 VAL A 504 9.044 2.282 14.432 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.106 0.802 16.189 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.126 2.149 16.748 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.366 2.197 17.010 1.00 0.00 H new ATOM 472 N LEU A 505 8.050 5.181 13.148 1.00 0.00 N ATOM 473 CA LEU A 505 8.139 6.028 11.951 1.00 0.00 C ATOM 474 C LEU A 505 9.129 5.429 10.935 1.00 0.00 C ATOM 475 O LEU A 505 10.136 4.820 11.307 1.00 0.00 O ATOM 476 CB LEU A 505 8.561 7.456 12.365 1.00 0.00 C ATOM 477 CG LEU A 505 7.675 8.113 13.451 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.387 9.330 14.032 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.308 8.578 12.938 1.00 0.00 C ATOM 0 H LEU A 505 8.965 4.905 13.505 1.00 0.00 H new ATOM 0 HA LEU A 505 7.163 6.075 11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.589 7.424 12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.554 8.091 11.479 1.00 0.00 H new ATOM 0 HG LEU A 505 7.507 7.339 14.200 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.759 9.789 14.796 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.332 9.020 14.477 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.579 10.052 13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.746 9.027 13.757 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.448 9.314 12.147 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.757 7.724 12.545 1.00 0.00 H new ATOM 491 N GLU A 506 8.839 5.608 9.645 1.00 0.00 N ATOM 492 CA GLU A 506 9.734 5.237 8.539 1.00 0.00 C ATOM 493 C GLU A 506 10.824 6.304 8.374 1.00 0.00 C ATOM 494 O GLU A 506 10.523 7.422 7.953 1.00 0.00 O ATOM 495 CB GLU A 506 8.912 5.083 7.245 1.00 0.00 C ATOM 496 CG GLU A 506 9.786 4.820 6.005 1.00 0.00 C ATOM 497 CD GLU A 506 8.969 4.456 4.744 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.798 4.891 4.609 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.511 3.745 3.862 1.00 0.00 O ATOM 0 H GLU A 506 7.961 6.022 9.330 1.00 0.00 H new ATOM 0 HA GLU A 506 10.219 4.286 8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.205 4.262 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.325 5.987 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.385 5.707 5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.481 4.010 6.225 1.00 0.00 H new ATOM 506 N VAL A 507 12.082 5.982 8.695 1.00 0.00 N ATOM 507 CA VAL A 507 13.230 6.830 8.320 1.00 0.00 C ATOM 508 C VAL A 507 13.541 6.706 6.822 1.00 0.00 C ATOM 509 O VAL A 507 13.250 5.696 6.183 1.00 0.00 O ATOM 510 CB VAL A 507 14.459 6.566 9.218 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.011 5.147 9.194 1.00 0.00 C ATOM 512 CG2 VAL A 507 15.608 7.543 8.954 1.00 0.00 C ATOM 0 H VAL A 507 12.336 5.141 9.214 1.00 0.00 H new ATOM 0 HA VAL A 507 12.953 7.869 8.497 1.00 0.00 H new ATOM 0 HB VAL A 507 14.048 6.725 10.215 1.00 0.00 H new ATOM 0 HG11 VAL A 507 15.871 5.080 9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 507 14.240 4.451 9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.318 4.893 8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 507 16.443 7.309 9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.929 7.455 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 507 15.270 8.562 9.144 1.00 0.00 H new ATOM 522 N LEU A 508 14.152 7.755 6.275 1.00 0.00 N ATOM 523 CA LEU A 508 14.524 7.946 4.876 1.00 0.00 C ATOM 524 C LEU A 508 16.006 8.351 4.735 1.00 0.00 C ATOM 525 O LEU A 508 16.635 8.009 3.733 1.00 0.00 O ATOM 526 CB LEU A 508 13.617 9.028 4.262 1.00 0.00 C ATOM 527 CG LEU A 508 12.096 8.816 4.417 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.357 10.064 3.931 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.577 7.620 3.619 1.00 0.00 C ATOM 0 H LEU A 508 14.421 8.557 6.845 1.00 0.00 H new ATOM 0 HA LEU A 508 14.392 7.002 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.876 9.987 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.845 9.102 3.199 1.00 0.00 H new ATOM 0 HG LEU A 508 11.913 8.624 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.283 9.916 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.667 10.924 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.594 10.242 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.502 7.522 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.784 7.772 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 508 12.075 6.712 3.959 1.00 0.00 H new ATOM 541 N ASP A 509 16.577 9.025 5.744 1.00 0.00 N ATOM 542 CA ASP A 509 17.994 9.427 5.801 1.00 0.00 C ATOM 543 C ASP A 509 18.494 9.497 7.260 1.00 0.00 C ATOM 544 O ASP A 509 17.777 9.971 8.145 1.00 0.00 O ATOM 545 CB ASP A 509 18.172 10.804 5.140 1.00 0.00 C ATOM 546 CG ASP A 509 18.202 10.741 3.605 1.00 0.00 C ATOM 547 OD1 ASP A 509 19.201 10.227 3.042 1.00 0.00 O ATOM 548 OD2 ASP A 509 17.262 11.256 2.952 1.00 0.00 O ATOM 0 H ASP A 509 16.051 9.315 6.569 1.00 0.00 H new ATOM 0 HA ASP A 509 18.579 8.678 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.359 11.458 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.099 11.254 5.497 1.00 0.00 H new ATOM 553 N ASP A 510 19.729 9.038 7.499 1.00 0.00 N ATOM 554 CA ASP A 510 20.289 8.745 8.834 1.00 0.00 C ATOM 555 C ASP A 510 21.819 8.962 8.934 1.00 0.00 C ATOM 556 O ASP A 510 22.552 8.177 9.546 1.00 0.00 O ATOM 557 CB ASP A 510 19.859 7.330 9.274 1.00 0.00 C ATOM 558 CG ASP A 510 20.076 6.230 8.215 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.114 6.226 7.508 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.202 5.338 8.088 1.00 0.00 O ATOM 0 H ASP A 510 20.392 8.853 6.746 1.00 0.00 H new ATOM 0 HA ASP A 510 19.874 9.473 9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.411 7.061 10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.803 7.353 9.542 1.00 0.00 H new ATOM 565 N SER A 511 22.316 10.052 8.333 1.00 0.00 N ATOM 566 CA SER A 511 23.758 10.363 8.213 1.00 0.00 C ATOM 567 C SER A 511 24.171 11.658 8.939 1.00 0.00 C ATOM 568 O SER A 511 25.309 12.115 8.796 1.00 0.00 O ATOM 569 CB SER A 511 24.132 10.424 6.725 1.00 0.00 C ATOM 570 OG SER A 511 23.994 9.147 6.117 1.00 0.00 O ATOM 0 H SER A 511 21.719 10.760 7.906 1.00 0.00 H new ATOM 0 HA SER A 511 24.309 9.565 8.710 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.494 11.146 6.214 1.00 0.00 H new ATOM 0 HB3 SER A 511 25.159 10.774 6.618 1.00 0.00 H new ATOM 0 HG SER A 511 24.235 9.208 5.169 1.00 0.00 H new ATOM 576 N ARG A 512 23.256 12.250 9.723 1.00 0.00 N ATOM 577 CA ARG A 512 23.426 13.505 10.487 1.00 0.00 C ATOM 578 C ARG A 512 22.660 13.474 11.828 1.00 0.00 C ATOM 579 O ARG A 512 21.964 12.501 12.128 1.00 0.00 O ATOM 580 CB ARG A 512 22.956 14.696 9.626 1.00 0.00 C ATOM 581 CG ARG A 512 23.745 14.943 8.329 1.00 0.00 C ATOM 582 CD ARG A 512 23.448 16.353 7.792 1.00 0.00 C ATOM 583 NE ARG A 512 24.082 16.598 6.480 1.00 0.00 N ATOM 584 CZ ARG A 512 23.558 16.406 5.280 1.00 0.00 C ATOM 585 NH1 ARG A 512 22.369 15.898 5.107 1.00 0.00 N ATOM 586 NH2 ARG A 512 24.231 16.727 4.212 1.00 0.00 N ATOM 0 H ARG A 512 22.327 11.848 9.851 1.00 0.00 H new ATOM 0 HA ARG A 512 24.484 13.617 10.725 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.909 14.540 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 512 23.003 15.599 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.813 14.834 8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.475 14.196 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.370 16.486 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.802 17.094 8.508 1.00 0.00 H new ATOM 0 HE ARG A 512 25.036 16.958 6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.806 15.632 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 512 22.003 15.767 4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 512 25.165 17.128 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 512 23.824 16.578 3.289 1.00 0.00 H new ATOM 600 N LYS A 513 22.769 14.546 12.628 1.00 0.00 N ATOM 601 CA LYS A 513 22.107 14.723 13.946 1.00 0.00 C ATOM 602 C LYS A 513 20.571 14.690 13.903 1.00 0.00 C ATOM 603 O LYS A 513 19.938 14.366 14.905 1.00 0.00 O ATOM 604 CB LYS A 513 22.533 16.070 14.565 1.00 0.00 C ATOM 605 CG LYS A 513 24.018 16.213 14.925 1.00 0.00 C ATOM 606 CD LYS A 513 24.402 15.402 16.172 1.00 0.00 C ATOM 607 CE LYS A 513 25.791 15.781 16.705 1.00 0.00 C ATOM 608 NZ LYS A 513 26.891 15.407 15.775 1.00 0.00 N ATOM 0 H LYS A 513 23.342 15.350 12.371 1.00 0.00 H new ATOM 0 HA LYS A 513 22.430 13.871 14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.272 16.865 13.867 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.945 16.233 15.468 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.626 15.886 14.082 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.248 17.265 15.095 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.658 15.565 16.952 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.385 14.339 15.932 1.00 0.00 H new ATOM 0 HE2 LYS A 513 25.824 16.855 16.885 1.00 0.00 H new ATOM 0 HE3 LYS A 513 25.952 15.291 17.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.804 15.687 16.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 26.881 14.378 15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.758 15.894 14.866 1.00 0.00 H new ATOM 622 N TRP A 514 19.959 15.019 12.768 1.00 0.00 N ATOM 623 CA TRP A 514 18.508 14.951 12.584 1.00 0.00 C ATOM 624 C TRP A 514 18.189 14.056 11.389 1.00 0.00 C ATOM 625 O TRP A 514 18.735 14.222 10.294 1.00 0.00 O ATOM 626 CB TRP A 514 17.898 16.344 12.408 1.00 0.00 C ATOM 627 CG TRP A 514 17.876 17.232 13.617 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.943 17.678 14.325 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.711 17.847 14.249 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.515 18.446 15.389 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.143 18.579 15.395 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.339 17.882 13.946 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.244 19.256 16.228 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.425 18.587 14.754 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.874 19.260 15.904 1.00 0.00 C ATOM 0 H TRP A 514 20.460 15.344 11.941 1.00 0.00 H new ATOM 0 HA TRP A 514 18.062 14.521 13.481 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.447 16.858 11.619 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.873 16.224 12.056 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.975 17.464 14.091 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.136 18.863 16.083 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.977 17.357 13.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.598 19.770 17.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.378 18.610 14.490 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.170 19.779 16.537 1.00 0.00 H new ATOM 646 N TRP A 515 17.322 13.075 11.624 1.00 0.00 N ATOM 647 CA TRP A 515 16.935 12.082 10.627 1.00 0.00 C ATOM 648 C TRP A 515 15.658 12.529 9.913 1.00 0.00 C ATOM 649 O TRP A 515 14.753 13.107 10.526 1.00 0.00 O ATOM 650 CB TRP A 515 16.763 10.714 11.303 1.00 0.00 C ATOM 651 CG TRP A 515 18.011 10.049 11.818 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.229 10.618 11.988 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.190 8.647 12.206 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.129 9.690 12.460 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.545 8.454 12.617 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.349 7.517 12.222 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.037 7.209 13.036 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.838 6.252 12.623 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.172 6.101 13.037 1.00 0.00 C ATOM 0 H TRP A 515 16.862 12.946 12.525 1.00 0.00 H new ATOM 0 HA TRP A 515 17.717 11.988 9.874 1.00 0.00 H new ATOM 0 HB2 TRP A 515 16.072 10.832 12.138 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.289 10.040 10.590 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.461 11.653 11.782 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.107 9.893 12.668 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.316 7.618 11.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.064 7.103 13.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.181 5.395 12.611 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.533 5.134 13.356 1.00 0.00 H new ATOM 670 N LYS A 516 15.581 12.258 8.607 1.00 0.00 N ATOM 671 CA LYS A 516 14.395 12.476 7.787 1.00 0.00 C ATOM 672 C LYS A 516 13.524 11.246 7.934 1.00 0.00 C ATOM 673 O LYS A 516 13.935 10.155 7.549 1.00 0.00 O ATOM 674 CB LYS A 516 14.808 12.721 6.329 1.00 0.00 C ATOM 675 CG LYS A 516 13.630 13.317 5.559 1.00 0.00 C ATOM 676 CD LYS A 516 14.025 13.620 4.110 1.00 0.00 C ATOM 677 CE LYS A 516 12.872 14.291 3.356 1.00 0.00 C ATOM 678 NZ LYS A 516 13.299 14.728 1.996 1.00 0.00 N ATOM 0 H LYS A 516 16.364 11.871 8.081 1.00 0.00 H new ATOM 0 HA LYS A 516 13.838 13.357 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.661 13.398 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.122 11.785 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.791 12.622 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.295 14.232 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.900 14.269 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.306 12.696 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.036 13.597 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.516 15.152 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.498 15.179 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 14.081 15.409 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.616 13.902 1.450 1.00 0.00 H new ATOM 692 N VAL A 517 12.346 11.416 8.502 1.00 0.00 N ATOM 693 CA VAL A 517 11.341 10.359 8.683 1.00 0.00 C ATOM 694 C VAL A 517 9.980 10.780 8.114 1.00 0.00 C ATOM 695 O VAL A 517 9.812 11.916 7.659 1.00 0.00 O ATOM 696 CB VAL A 517 11.222 9.905 10.163 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.571 9.666 10.858 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.439 10.892 11.034 1.00 0.00 C ATOM 0 H VAL A 517 12.042 12.319 8.866 1.00 0.00 H new ATOM 0 HA VAL A 517 11.686 9.494 8.117 1.00 0.00 H new ATOM 0 HB VAL A 517 10.685 8.960 10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.399 9.352 11.888 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.121 8.888 10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.152 10.588 10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.392 10.517 12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.939 11.861 11.026 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.428 11.002 10.641 1.00 0.00 H new ATOM 708 N ARG A 518 8.997 9.873 8.162 1.00 0.00 N ATOM 709 CA ARG A 518 7.605 10.117 7.763 1.00 0.00 C ATOM 710 C ARG A 518 6.627 9.602 8.817 1.00 0.00 C ATOM 711 O ARG A 518 6.743 8.462 9.271 1.00 0.00 O ATOM 712 CB ARG A 518 7.374 9.497 6.373 1.00 0.00 C ATOM 713 CG ARG A 518 5.978 9.804 5.811 1.00 0.00 C ATOM 714 CD ARG A 518 5.857 9.438 4.329 1.00 0.00 C ATOM 715 NE ARG A 518 5.570 8.006 4.124 1.00 0.00 N ATOM 716 CZ ARG A 518 5.334 7.430 2.960 1.00 0.00 C ATOM 717 NH1 ARG A 518 5.488 8.064 1.830 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.914 6.199 2.906 1.00 0.00 N ATOM 0 H ARG A 518 9.153 8.920 8.490 1.00 0.00 H new ATOM 0 HA ARG A 518 7.419 11.189 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 518 8.130 9.872 5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.507 8.417 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.230 9.254 6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.761 10.864 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 518 5.065 10.033 3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.784 9.697 3.817 1.00 0.00 H new ATOM 0 HE ARG A 518 5.552 7.410 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.800 9.035 1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 518 5.297 7.588 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 518 4.765 5.673 3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.734 5.761 2.003 1.00 0.00 H new ATOM 732 N ASP A 519 5.670 10.443 9.210 1.00 0.00 N ATOM 733 CA ASP A 519 4.578 10.051 10.103 1.00 0.00 C ATOM 734 C ASP A 519 3.565 9.137 9.386 1.00 0.00 C ATOM 735 O ASP A 519 3.408 9.223 8.163 1.00 0.00 O ATOM 736 CB ASP A 519 3.869 11.295 10.641 1.00 0.00 C ATOM 737 CG ASP A 519 4.445 11.803 11.965 1.00 0.00 C ATOM 738 OD1 ASP A 519 4.018 11.289 13.026 1.00 0.00 O ATOM 739 OD2 ASP A 519 5.273 12.742 11.934 1.00 0.00 O ATOM 0 H ASP A 519 5.630 11.419 8.917 1.00 0.00 H new ATOM 0 HA ASP A 519 5.008 9.491 10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.933 12.090 9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.811 11.070 10.777 1.00 0.00 H new ATOM 744 N PRO A 520 2.795 8.324 10.133 1.00 0.00 N ATOM 745 CA PRO A 520 1.813 7.399 9.570 1.00 0.00 C ATOM 746 C PRO A 520 0.631 8.104 8.867 1.00 0.00 C ATOM 747 O PRO A 520 -0.140 7.460 8.150 1.00 0.00 O ATOM 748 CB PRO A 520 1.351 6.532 10.747 1.00 0.00 C ATOM 749 CG PRO A 520 1.558 7.437 11.961 1.00 0.00 C ATOM 750 CD PRO A 520 2.801 8.235 11.585 1.00 0.00 C ATOM 0 HA PRO A 520 2.262 6.803 8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.308 6.235 10.641 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.937 5.616 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.699 8.085 12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.709 6.860 12.873 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.780 9.227 12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.705 7.741 11.942 1.00 0.00 H new ATOM 758 N ALA A 521 0.494 9.426 9.049 1.00 0.00 N ATOM 759 CA ALA A 521 -0.499 10.285 8.404 1.00 0.00 C ATOM 760 C ALA A 521 -0.069 10.772 7.004 1.00 0.00 C ATOM 761 O ALA A 521 -0.898 11.308 6.262 1.00 0.00 O ATOM 762 CB ALA A 521 -0.726 11.488 9.327 1.00 0.00 C ATOM 0 H ALA A 521 1.104 9.946 9.681 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.411 9.707 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.463 12.155 8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.090 11.141 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.213 12.024 9.464 1.00 0.00 H new ATOM 768 N GLY A 522 1.214 10.611 6.645 1.00 0.00 N ATOM 769 CA GLY A 522 1.743 10.938 5.318 1.00 0.00 C ATOM 770 C GLY A 522 2.597 12.204 5.235 1.00 0.00 C ATOM 771 O GLY A 522 2.576 12.881 4.204 1.00 0.00 O ATOM 0 H GLY A 522 1.922 10.244 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.340 10.096 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.905 11.042 4.629 1.00 0.00 H new ATOM 775 N GLN A 523 3.311 12.557 6.309 1.00 0.00 N ATOM 776 CA GLN A 523 4.022 13.839 6.438 1.00 0.00 C ATOM 777 C GLN A 523 5.517 13.618 6.668 1.00 0.00 C ATOM 778 O GLN A 523 5.884 12.850 7.553 1.00 0.00 O ATOM 779 CB GLN A 523 3.451 14.622 7.626 1.00 0.00 C ATOM 780 CG GLN A 523 1.934 14.798 7.564 1.00 0.00 C ATOM 781 CD GLN A 523 1.444 15.977 8.405 1.00 0.00 C ATOM 782 OE1 GLN A 523 0.872 16.939 7.903 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.652 15.971 9.706 1.00 0.00 N ATOM 0 H GLN A 523 3.414 11.954 7.125 1.00 0.00 H new ATOM 0 HA GLN A 523 3.887 14.397 5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.712 14.107 8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.922 15.604 7.664 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.631 14.945 6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.451 13.884 7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 523 2.126 15.181 10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.339 16.757 10.276 1.00 0.00 H new ATOM 792 N GLU A 524 6.369 14.302 5.906 1.00 0.00 N ATOM 793 CA GLU A 524 7.833 14.139 5.927 1.00 0.00 C ATOM 794 C GLU A 524 8.547 15.405 6.428 1.00 0.00 C ATOM 795 O GLU A 524 8.087 16.533 6.220 1.00 0.00 O ATOM 796 CB GLU A 524 8.362 13.799 4.527 1.00 0.00 C ATOM 797 CG GLU A 524 7.815 12.482 3.953 1.00 0.00 C ATOM 798 CD GLU A 524 7.674 12.524 2.419 1.00 0.00 C ATOM 799 OE1 GLU A 524 8.666 12.820 1.711 1.00 0.00 O ATOM 800 OE2 GLU A 524 6.561 12.243 1.905 1.00 0.00 O ATOM 0 H GLU A 524 6.058 15.006 5.236 1.00 0.00 H new ATOM 0 HA GLU A 524 8.045 13.321 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.109 14.612 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.450 13.742 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.479 11.664 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.843 12.270 4.399 1.00 0.00 H new ATOM 807 N GLY A 525 9.693 15.211 7.081 1.00 0.00 N ATOM 808 CA GLY A 525 10.471 16.269 7.724 1.00 0.00 C ATOM 809 C GLY A 525 11.508 15.712 8.698 1.00 0.00 C ATOM 810 O GLY A 525 11.721 14.497 8.773 1.00 0.00 O ATOM 0 H GLY A 525 10.117 14.288 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.974 16.863 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.798 16.940 8.257 1.00 0.00 H new ATOM 814 N TYR A 526 12.153 16.604 9.447 1.00 0.00 N ATOM 815 CA TYR A 526 13.294 16.268 10.297 1.00 0.00 C ATOM 816 C TYR A 526 12.892 16.161 11.769 1.00 0.00 C ATOM 817 O TYR A 526 12.105 16.963 12.280 1.00 0.00 O ATOM 818 CB TYR A 526 14.414 17.297 10.081 1.00 0.00 C ATOM 819 CG TYR A 526 15.074 17.197 8.714 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.890 16.086 8.409 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.869 18.197 7.741 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.479 15.965 7.138 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.449 18.076 6.467 1.00 0.00 C ATOM 824 CZ TYR A 526 16.251 16.956 6.156 1.00 0.00 C ATOM 825 OH TYR A 526 16.789 16.832 4.913 1.00 0.00 O ATOM 0 H TYR A 526 11.896 17.590 9.481 1.00 0.00 H new ATOM 0 HA TYR A 526 13.667 15.284 10.012 1.00 0.00 H new ATOM 0 HB2 TYR A 526 14.005 18.299 10.206 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.172 17.164 10.853 1.00 0.00 H new ATOM 0 HD1 TYR A 526 16.063 15.325 9.156 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.263 19.060 7.976 1.00 0.00 H new ATOM 0 HE1 TYR A 526 17.106 15.115 6.912 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.281 18.841 5.724 1.00 0.00 H new ATOM 0 HH TYR A 526 16.530 17.603 4.366 1.00 0.00 H new ATOM 835 N VAL A 527 13.482 15.180 12.454 1.00 0.00 N ATOM 836 CA VAL A 527 13.335 14.931 13.895 1.00 0.00 C ATOM 837 C VAL A 527 14.699 14.551 14.505 1.00 0.00 C ATOM 838 O VAL A 527 15.546 13.977 13.810 1.00 0.00 O ATOM 839 CB VAL A 527 12.280 13.836 14.178 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.867 14.284 13.787 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.589 12.518 13.465 1.00 0.00 C ATOM 0 H VAL A 527 14.102 14.507 12.004 1.00 0.00 H new ATOM 0 HA VAL A 527 12.981 15.849 14.365 1.00 0.00 H new ATOM 0 HB VAL A 527 12.325 13.671 15.254 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.159 13.484 14.003 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.596 15.172 14.357 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.840 14.515 12.722 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.815 11.787 13.700 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.616 12.684 12.388 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.556 12.142 13.798 1.00 0.00 H new ATOM 851 N PRO A 528 14.950 14.871 15.786 1.00 0.00 N ATOM 852 CA PRO A 528 16.252 14.667 16.417 1.00 0.00 C ATOM 853 C PRO A 528 16.539 13.186 16.684 1.00 0.00 C ATOM 854 O PRO A 528 15.689 12.463 17.201 1.00 0.00 O ATOM 855 CB PRO A 528 16.176 15.464 17.718 1.00 0.00 C ATOM 856 CG PRO A 528 14.692 15.478 18.071 1.00 0.00 C ATOM 857 CD PRO A 528 14.038 15.545 16.697 1.00 0.00 C ATOM 0 HA PRO A 528 17.068 14.998 15.774 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.767 14.996 18.505 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.563 16.475 17.587 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.395 14.585 18.621 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.428 16.335 18.690 1.00 0.00 H new ATOM 0 HD2 PRO A 528 13.063 15.058 16.705 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.875 16.579 16.392 1.00 0.00 H new ATOM 865 N TYR A 529 17.770 12.736 16.425 1.00 0.00 N ATOM 866 CA TYR A 529 18.164 11.345 16.710 1.00 0.00 C ATOM 867 C TYR A 529 18.059 10.956 18.196 1.00 0.00 C ATOM 868 O TYR A 529 17.900 9.775 18.501 1.00 0.00 O ATOM 869 CB TYR A 529 19.569 11.039 16.171 1.00 0.00 C ATOM 870 CG TYR A 529 20.726 11.391 17.099 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.978 12.731 17.449 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.536 10.373 17.643 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.026 13.064 18.326 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.586 10.695 18.526 1.00 0.00 C ATOM 875 CZ TYR A 529 22.836 12.044 18.872 1.00 0.00 C ATOM 876 OH TYR A 529 23.846 12.362 19.726 1.00 0.00 O ATOM 0 H TYR A 529 18.511 13.308 16.020 1.00 0.00 H new ATOM 0 HA TYR A 529 17.437 10.728 16.182 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.625 9.976 15.939 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.703 11.578 15.233 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.358 13.514 17.038 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.351 9.342 17.382 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.211 14.097 18.581 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.202 9.910 18.940 1.00 0.00 H new ATOM 0 HH TYR A 529 24.304 11.544 20.010 1.00 0.00 H new ATOM 886 N ASN A 530 18.105 11.927 19.126 1.00 0.00 N ATOM 887 CA ASN A 530 18.035 11.634 20.564 1.00 0.00 C ATOM 888 C ASN A 530 16.694 10.999 20.997 1.00 0.00 C ATOM 889 O ASN A 530 16.677 10.235 21.964 1.00 0.00 O ATOM 890 CB ASN A 530 18.402 12.883 21.396 1.00 0.00 C ATOM 891 CG ASN A 530 17.203 13.586 22.014 1.00 0.00 C ATOM 892 OD1 ASN A 530 16.865 13.390 23.172 1.00 0.00 O ATOM 893 ND2 ASN A 530 16.502 14.394 21.249 1.00 0.00 N ATOM 0 H ASN A 530 18.190 12.919 18.905 1.00 0.00 H new ATOM 0 HA ASN A 530 18.782 10.868 20.769 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.088 12.589 22.191 1.00 0.00 H new ATOM 0 HB3 ASN A 530 18.936 13.588 20.759 1.00 0.00 H new ATOM 0 HD21 ASN A 530 15.674 14.859 21.622 1.00 0.00 H new ATOM 0 HD22 ASN A 530 16.786 14.556 20.283 1.00 0.00 H new ATOM 900 N ILE A 531 15.589 11.281 20.282 1.00 0.00 N ATOM 901 CA ILE A 531 14.281 10.654 20.547 1.00 0.00 C ATOM 902 C ILE A 531 14.056 9.388 19.708 1.00 0.00 C ATOM 903 O ILE A 531 12.999 8.780 19.850 1.00 0.00 O ATOM 904 CB ILE A 531 13.087 11.641 20.418 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.674 11.903 18.949 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.382 12.957 21.155 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.548 12.929 18.777 1.00 0.00 C ATOM 0 H ILE A 531 15.577 11.946 19.509 1.00 0.00 H new ATOM 0 HA ILE A 531 14.317 10.349 21.593 1.00 0.00 H new ATOM 0 HB ILE A 531 12.233 11.160 20.894 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.548 12.246 18.395 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.361 10.961 18.500 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.532 13.631 21.050 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.554 12.752 22.212 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.269 13.423 20.727 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.324 13.049 17.717 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.656 12.582 19.299 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.862 13.887 19.193 1.00 0.00 H new ATOM 919 N LEU A 532 14.990 8.985 18.838 1.00 0.00 N ATOM 920 CA LEU A 532 14.841 7.793 17.989 1.00 0.00 C ATOM 921 C LEU A 532 15.650 6.592 18.520 1.00 0.00 C ATOM 922 O LEU A 532 16.830 6.721 18.861 1.00 0.00 O ATOM 923 CB LEU A 532 15.261 8.142 16.548 1.00 0.00 C ATOM 924 CG LEU A 532 14.423 9.240 15.863 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.980 9.459 14.456 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.943 8.869 15.726 1.00 0.00 C ATOM 0 H LEU A 532 15.873 9.477 18.701 1.00 0.00 H new ATOM 0 HA LEU A 532 13.793 7.492 18.005 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.304 8.458 16.558 1.00 0.00 H new ATOM 0 HB3 LEU A 532 15.208 7.237 15.943 1.00 0.00 H new ATOM 0 HG LEU A 532 14.487 10.133 16.485 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.401 10.233 13.952 1.00 0.00 H new ATOM 0 HD12 LEU A 532 16.023 9.770 14.522 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.914 8.530 13.890 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.408 9.683 15.236 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.849 7.962 15.129 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.518 8.698 16.715 1.00 0.00 H new ATOM 938 N THR A 533 15.040 5.400 18.514 1.00 0.00 N ATOM 939 CA THR A 533 15.684 4.119 18.885 1.00 0.00 C ATOM 940 C THR A 533 15.379 3.004 17.863 1.00 0.00 C ATOM 941 O THR A 533 14.262 2.962 17.331 1.00 0.00 O ATOM 942 CB THR A 533 15.271 3.715 20.318 1.00 0.00 C ATOM 943 OG1 THR A 533 15.996 2.593 20.762 1.00 0.00 O ATOM 944 CG2 THR A 533 13.793 3.362 20.496 1.00 0.00 C ATOM 0 H THR A 533 14.062 5.289 18.246 1.00 0.00 H new ATOM 0 HA THR A 533 16.764 4.262 18.867 1.00 0.00 H new ATOM 0 HB THR A 533 15.486 4.612 20.898 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.715 2.361 21.672 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.606 3.093 21.536 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.179 4.221 20.228 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.540 2.520 19.852 1.00 0.00 H new ATOM 952 N PRO A 534 16.338 2.101 17.551 1.00 0.00 N ATOM 953 CA PRO A 534 16.145 1.007 16.594 1.00 0.00 C ATOM 954 C PRO A 534 15.108 -0.010 17.098 1.00 0.00 C ATOM 955 O PRO A 534 15.338 -0.709 18.090 1.00 0.00 O ATOM 956 CB PRO A 534 17.531 0.383 16.386 1.00 0.00 C ATOM 957 CG PRO A 534 18.275 0.710 17.678 1.00 0.00 C ATOM 958 CD PRO A 534 17.709 2.075 18.054 1.00 0.00 C ATOM 0 HA PRO A 534 15.741 1.368 15.648 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.465 -0.693 16.224 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.034 0.806 15.517 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.087 -0.034 18.453 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.354 0.747 17.526 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.730 2.221 19.134 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.301 2.877 17.612 1.00 0.00 H new