USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 CYS SG : rot 160:sc= 0 USER MOD Single : A 486 ASN :FLIP amide:sc= -0.251 F(o=-1.2,f=-0.25) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 493 ASN : amide:sc= 1.03 K(o=1,f=-0.083) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0.00476 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.12) USER MOD Single : A 501 GLN : amide:sc= 0.953 K(o=0.95,f=-0.014) USER MOD Single : A 511 SER OG : rot -45:sc= 0.0188 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= 1.02 K(o=1,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= -0.0359 K(o=-0.036,f=-1.4!) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.184 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.668 2.476 7.662 1.00 0.00 N ATOM 75 CA LYS A 481 14.231 1.480 8.658 1.00 0.00 C ATOM 76 C LYS A 481 13.172 2.069 9.590 1.00 0.00 C ATOM 77 O LYS A 481 12.891 3.271 9.569 1.00 0.00 O ATOM 78 CB LYS A 481 15.438 0.961 9.481 1.00 0.00 C ATOM 79 CG LYS A 481 15.388 -0.561 9.730 1.00 0.00 C ATOM 80 CD LYS A 481 15.910 -1.360 8.527 1.00 0.00 C ATOM 81 CE LYS A 481 15.893 -2.863 8.828 1.00 0.00 C ATOM 82 NZ LYS A 481 16.591 -3.639 7.768 1.00 0.00 N ATOM 0 HA LYS A 481 13.789 0.641 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.361 1.208 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.467 1.480 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 481 15.982 -0.804 10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.362 -0.859 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.295 -1.152 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.925 -1.043 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 481 16.371 -3.048 9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 481 14.862 -3.207 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 16.561 -4.652 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 16.119 -3.481 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 17.581 -3.327 7.705 1.00 0.00 H new ATOM 96 N TRP A 482 12.607 1.202 10.420 1.00 0.00 N ATOM 97 CA TRP A 482 11.657 1.551 11.470 1.00 0.00 C ATOM 98 C TRP A 482 12.400 2.002 12.735 1.00 0.00 C ATOM 99 O TRP A 482 13.376 1.373 13.157 1.00 0.00 O ATOM 100 CB TRP A 482 10.765 0.334 11.766 1.00 0.00 C ATOM 101 CG TRP A 482 10.454 -0.557 10.598 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.639 -1.896 10.570 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.998 -0.190 9.257 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.351 -2.379 9.309 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.962 -1.371 8.454 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.653 1.026 8.625 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.607 -1.349 7.097 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.309 1.058 7.261 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.282 -0.122 6.496 1.00 0.00 C ATOM 0 H TRP A 482 12.804 0.202 10.380 1.00 0.00 H new ATOM 0 HA TRP A 482 11.032 2.380 11.136 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.249 -0.267 12.536 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.824 0.692 12.185 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.963 -2.497 11.407 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.418 -3.361 9.043 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.653 1.943 9.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.584 -2.263 6.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.063 2.001 6.795 1.00 0.00 H new ATOM 0 HH2 TRP A 482 9.012 -0.085 5.451 1.00 0.00 H new ATOM 120 N VAL A 483 11.907 3.061 13.373 1.00 0.00 N ATOM 121 CA VAL A 483 12.410 3.564 14.661 1.00 0.00 C ATOM 122 C VAL A 483 11.255 3.920 15.580 1.00 0.00 C ATOM 123 O VAL A 483 10.239 4.452 15.135 1.00 0.00 O ATOM 124 CB VAL A 483 13.322 4.798 14.514 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.661 4.431 13.873 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.668 5.933 13.717 1.00 0.00 C ATOM 0 H VAL A 483 11.129 3.609 13.006 1.00 0.00 H new ATOM 0 HA VAL A 483 13.005 2.756 15.087 1.00 0.00 H new ATOM 0 HB VAL A 483 13.493 5.159 15.528 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.279 5.324 13.785 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.173 3.696 14.494 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.487 4.011 12.882 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.358 6.774 13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.424 5.580 12.715 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.756 6.253 14.221 1.00 0.00 H new ATOM 136 N LEU A 484 11.433 3.639 16.867 1.00 0.00 N ATOM 137 CA LEU A 484 10.514 4.027 17.930 1.00 0.00 C ATOM 138 C LEU A 484 10.901 5.412 18.468 1.00 0.00 C ATOM 139 O LEU A 484 12.081 5.757 18.558 1.00 0.00 O ATOM 140 CB LEU A 484 10.564 2.927 19.005 1.00 0.00 C ATOM 141 CG LEU A 484 9.893 3.260 20.348 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.381 3.408 20.182 1.00 0.00 C ATOM 143 CD2 LEU A 484 10.187 2.175 21.382 1.00 0.00 C ATOM 0 H LEU A 484 12.243 3.121 17.208 1.00 0.00 H new ATOM 0 HA LEU A 484 9.488 4.115 17.572 1.00 0.00 H new ATOM 0 HB2 LEU A 484 10.094 2.031 18.600 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.609 2.681 19.195 1.00 0.00 H new ATOM 0 HG LEU A 484 10.304 4.207 20.696 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.930 3.643 21.146 1.00 0.00 H new ATOM 0 HD12 LEU A 484 8.169 4.212 19.477 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.963 2.475 19.805 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.703 2.430 22.325 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.804 1.219 21.025 1.00 0.00 H new ATOM 0 HD23 LEU A 484 11.264 2.101 21.535 1.00 0.00 H new ATOM 155 N CYS A 485 9.894 6.184 18.864 1.00 0.00 N ATOM 156 CA CYS A 485 10.042 7.436 19.594 1.00 0.00 C ATOM 157 C CYS A 485 10.172 7.176 21.107 1.00 0.00 C ATOM 158 O CYS A 485 9.218 6.744 21.756 1.00 0.00 O ATOM 159 CB CYS A 485 8.832 8.320 19.260 1.00 0.00 C ATOM 160 SG CYS A 485 9.153 9.229 17.721 1.00 0.00 S ATOM 0 H CYS A 485 8.920 5.946 18.679 1.00 0.00 H new ATOM 0 HA CYS A 485 10.956 7.949 19.295 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.938 7.706 19.152 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.643 9.019 20.075 1.00 0.00 H new ATOM 0 HG CYS A 485 8.027 9.630 17.211 1.00 0.00 H new ATOM 166 N ASN A 486 11.343 7.466 21.680 1.00 0.00 N ATOM 167 CA ASN A 486 11.588 7.465 23.128 1.00 0.00 C ATOM 168 C ASN A 486 10.812 8.570 23.878 1.00 0.00 C ATOM 169 O ASN A 486 10.403 8.366 25.023 1.00 0.00 O ATOM 170 CB ASN A 486 13.092 7.656 23.387 1.00 0.00 C ATOM 171 CG ASN A 486 13.931 6.439 23.049 1.00 0.00 C ATOM 172 OD1 ASN A 486 15.077 6.634 22.440 1.00 0.00 O flip ATOM 173 ND2 ASN A 486 13.588 5.304 23.347 1.00 0.00 N flip ATOM 0 H ASN A 486 12.170 7.715 21.137 1.00 0.00 H new ATOM 0 HA ASN A 486 11.236 6.506 23.507 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.447 8.504 22.802 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.241 7.908 24.437 1.00 0.00 H new ATOM 0 HD21 ASN A 486 12.698 5.148 23.820 1.00 0.00 H new ATOM 0 HD22 ASN A 486 14.192 4.513 23.122 1.00 0.00 H new ATOM 180 N TYR A 487 10.610 9.731 23.235 1.00 0.00 N ATOM 181 CA TYR A 487 10.042 10.952 23.831 1.00 0.00 C ATOM 182 C TYR A 487 9.126 11.688 22.835 1.00 0.00 C ATOM 183 O TYR A 487 9.211 11.498 21.620 1.00 0.00 O ATOM 184 CB TYR A 487 11.165 11.890 24.305 1.00 0.00 C ATOM 185 CG TYR A 487 12.234 11.241 25.173 1.00 0.00 C ATOM 186 CD1 TYR A 487 11.965 10.926 26.521 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.491 10.925 24.624 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.945 10.292 27.311 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.477 10.297 25.408 1.00 0.00 C ATOM 190 CZ TYR A 487 14.202 9.967 26.753 1.00 0.00 C ATOM 191 OH TYR A 487 15.142 9.329 27.501 1.00 0.00 O ATOM 0 H TYR A 487 10.846 9.850 22.250 1.00 0.00 H new ATOM 0 HA TYR A 487 9.440 10.653 24.689 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.647 12.324 23.429 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.717 12.712 24.863 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.005 11.171 26.950 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.701 11.166 23.592 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.735 10.054 28.343 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.442 10.068 24.981 1.00 0.00 H new ATOM 0 HH TYR A 487 15.946 9.182 26.960 1.00 0.00 H new ATOM 201 N ASP A 488 8.239 12.533 23.363 1.00 0.00 N ATOM 202 CA ASP A 488 7.366 13.427 22.590 1.00 0.00 C ATOM 203 C ASP A 488 8.135 14.628 21.998 1.00 0.00 C ATOM 204 O ASP A 488 9.154 15.065 22.546 1.00 0.00 O ATOM 205 CB ASP A 488 6.255 13.958 23.509 1.00 0.00 C ATOM 206 CG ASP A 488 5.464 12.846 24.207 1.00 0.00 C ATOM 207 OD1 ASP A 488 4.658 12.170 23.530 1.00 0.00 O ATOM 208 OD2 ASP A 488 5.667 12.633 25.428 1.00 0.00 O ATOM 0 H ASP A 488 8.102 12.619 24.370 1.00 0.00 H new ATOM 0 HA ASP A 488 6.953 12.851 21.762 1.00 0.00 H new ATOM 0 HB2 ASP A 488 6.697 14.609 24.263 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.569 14.570 22.923 1.00 0.00 H new ATOM 213 N PHE A 489 7.616 15.200 20.907 1.00 0.00 N ATOM 214 CA PHE A 489 8.170 16.376 20.221 1.00 0.00 C ATOM 215 C PHE A 489 7.098 17.120 19.393 1.00 0.00 C ATOM 216 O PHE A 489 6.115 16.523 18.955 1.00 0.00 O ATOM 217 CB PHE A 489 9.323 15.900 19.321 1.00 0.00 C ATOM 218 CG PHE A 489 10.072 16.996 18.591 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.729 18.006 19.323 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.097 17.021 17.182 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.382 19.052 18.649 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.766 18.058 16.507 1.00 0.00 C ATOM 223 CZ PHE A 489 11.401 19.072 17.244 1.00 0.00 C ATOM 0 H PHE A 489 6.770 14.846 20.460 1.00 0.00 H new ATOM 0 HA PHE A 489 8.534 17.088 20.962 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.033 15.343 19.933 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.923 15.204 18.584 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.730 17.976 20.403 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.602 16.243 16.620 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.868 19.838 19.209 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.791 18.075 15.427 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.908 19.873 16.726 1.00 0.00 H new ATOM 233 N GLN A 490 7.296 18.417 19.133 1.00 0.00 N ATOM 234 CA GLN A 490 6.368 19.265 18.368 1.00 0.00 C ATOM 235 C GLN A 490 7.083 19.976 17.218 1.00 0.00 C ATOM 236 O GLN A 490 8.211 20.447 17.372 1.00 0.00 O ATOM 237 CB GLN A 490 5.720 20.314 19.288 1.00 0.00 C ATOM 238 CG GLN A 490 4.711 19.704 20.274 1.00 0.00 C ATOM 239 CD GLN A 490 4.022 20.754 21.153 1.00 0.00 C ATOM 240 OE1 GLN A 490 4.478 21.877 21.338 1.00 0.00 O ATOM 241 NE2 GLN A 490 2.883 20.433 21.736 1.00 0.00 N ATOM 0 H GLN A 490 8.123 18.920 19.455 1.00 0.00 H new ATOM 0 HA GLN A 490 5.598 18.616 17.952 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.500 20.830 19.847 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.216 21.063 18.678 1.00 0.00 H new ATOM 0 HG2 GLN A 490 3.954 19.152 19.716 1.00 0.00 H new ATOM 0 HG3 GLN A 490 5.224 18.985 20.912 1.00 0.00 H new ATOM 0 HE21 GLN A 490 2.483 19.505 21.598 1.00 0.00 H new ATOM 0 HE22 GLN A 490 2.402 21.113 22.325 1.00 0.00 H new ATOM 250 N ALA A 491 6.404 20.108 16.075 1.00 0.00 N ATOM 251 CA ALA A 491 6.933 20.856 14.942 1.00 0.00 C ATOM 252 C ALA A 491 6.817 22.362 15.206 1.00 0.00 C ATOM 253 O ALA A 491 5.711 22.892 15.365 1.00 0.00 O ATOM 254 CB ALA A 491 6.194 20.475 13.656 1.00 0.00 C ATOM 0 H ALA A 491 5.482 19.702 15.914 1.00 0.00 H new ATOM 0 HA ALA A 491 7.986 20.605 14.816 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.602 21.043 12.820 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.320 19.409 13.466 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.133 20.701 13.765 1.00 0.00 H new ATOM 260 N ARG A 492 7.958 23.057 15.225 1.00 0.00 N ATOM 261 CA ARG A 492 8.017 24.524 15.345 1.00 0.00 C ATOM 262 C ARG A 492 8.205 25.208 13.983 1.00 0.00 C ATOM 263 O ARG A 492 8.088 26.431 13.891 1.00 0.00 O ATOM 264 CB ARG A 492 9.102 24.934 16.361 1.00 0.00 C ATOM 265 CG ARG A 492 9.027 24.141 17.683 1.00 0.00 C ATOM 266 CD ARG A 492 10.064 23.010 17.795 1.00 0.00 C ATOM 267 NE ARG A 492 11.445 23.526 17.881 1.00 0.00 N ATOM 268 CZ ARG A 492 12.044 24.040 18.942 1.00 0.00 C ATOM 269 NH1 ARG A 492 11.467 24.108 20.111 1.00 0.00 N ATOM 270 NH2 ARG A 492 13.254 24.511 18.847 1.00 0.00 N ATOM 0 H ARG A 492 8.876 22.618 15.157 1.00 0.00 H new ATOM 0 HA ARG A 492 7.056 24.872 15.723 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.085 24.788 15.912 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.005 25.998 16.577 1.00 0.00 H new ATOM 0 HG2 ARG A 492 9.165 24.830 18.516 1.00 0.00 H new ATOM 0 HG3 ARG A 492 8.028 23.716 17.783 1.00 0.00 H new ATOM 0 HD2 ARG A 492 9.848 22.407 18.677 1.00 0.00 H new ATOM 0 HD3 ARG A 492 9.977 22.352 16.930 1.00 0.00 H new ATOM 0 HE ARG A 492 11.999 23.481 17.026 1.00 0.00 H new ATOM 0 HH11 ARG A 492 10.517 23.756 20.232 1.00 0.00 H new ATOM 0 HH12 ARG A 492 11.966 24.513 20.903 1.00 0.00 H new ATOM 0 HH21 ARG A 492 13.743 24.484 17.952 1.00 0.00 H new ATOM 0 HH22 ARG A 492 13.713 24.907 19.667 1.00 0.00 H new ATOM 284 N ASN A 493 8.447 24.418 12.928 1.00 0.00 N ATOM 285 CA ASN A 493 8.675 24.878 11.549 1.00 0.00 C ATOM 286 C ASN A 493 8.195 23.841 10.510 1.00 0.00 C ATOM 287 O ASN A 493 8.041 22.659 10.818 1.00 0.00 O ATOM 288 CB ASN A 493 10.182 25.144 11.338 1.00 0.00 C ATOM 289 CG ASN A 493 10.731 26.307 12.147 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.638 27.465 11.758 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.345 26.033 13.275 1.00 0.00 N ATOM 0 H ASN A 493 8.491 23.403 13.014 1.00 0.00 H new ATOM 0 HA ASN A 493 8.100 25.793 11.405 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.738 24.243 11.596 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.360 25.336 10.280 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.748 26.786 13.833 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.419 25.067 13.594 1.00 0.00 H new ATOM 298 N SER A 494 8.041 24.267 9.251 1.00 0.00 N ATOM 299 CA SER A 494 7.720 23.396 8.100 1.00 0.00 C ATOM 300 C SER A 494 8.801 22.351 7.771 1.00 0.00 C ATOM 301 O SER A 494 8.505 21.334 7.140 1.00 0.00 O ATOM 302 CB SER A 494 7.490 24.250 6.844 1.00 0.00 C ATOM 303 OG SER A 494 6.543 25.282 7.080 1.00 0.00 O ATOM 0 H SER A 494 8.137 25.249 8.992 1.00 0.00 H new ATOM 0 HA SER A 494 6.822 22.853 8.395 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.435 24.689 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.141 23.615 6.030 1.00 0.00 H new ATOM 0 HG SER A 494 6.421 25.808 6.262 1.00 0.00 H new ATOM 309 N SER A 495 10.053 22.584 8.187 1.00 0.00 N ATOM 310 CA SER A 495 11.174 21.636 8.046 1.00 0.00 C ATOM 311 C SER A 495 11.090 20.423 8.982 1.00 0.00 C ATOM 312 O SER A 495 11.742 19.408 8.742 1.00 0.00 O ATOM 313 CB SER A 495 12.503 22.361 8.291 1.00 0.00 C ATOM 314 OG SER A 495 12.472 23.076 9.517 1.00 0.00 O ATOM 0 H SER A 495 10.324 23.456 8.642 1.00 0.00 H new ATOM 0 HA SER A 495 11.113 21.253 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.318 21.638 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.703 23.049 7.469 1.00 0.00 H new ATOM 0 HG SER A 495 13.330 23.529 9.653 1.00 0.00 H new ATOM 320 N GLU A 496 10.274 20.495 10.030 1.00 0.00 N ATOM 321 CA GLU A 496 10.162 19.498 11.095 1.00 0.00 C ATOM 322 C GLU A 496 8.720 18.992 11.257 1.00 0.00 C ATOM 323 O GLU A 496 7.796 19.405 10.549 1.00 0.00 O ATOM 324 CB GLU A 496 10.759 20.041 12.412 1.00 0.00 C ATOM 325 CG GLU A 496 10.269 21.434 12.824 1.00 0.00 C ATOM 326 CD GLU A 496 11.116 22.075 13.947 1.00 0.00 C ATOM 327 OE1 GLU A 496 11.737 21.357 14.761 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.147 23.325 14.031 1.00 0.00 O ATOM 0 H GLU A 496 9.644 21.285 10.168 1.00 0.00 H new ATOM 0 HA GLU A 496 10.751 18.626 10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.527 19.340 13.214 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.844 20.069 12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.281 22.088 11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.233 21.363 13.156 1.00 0.00 H new ATOM 335 N LEU A 497 8.549 18.047 12.181 1.00 0.00 N ATOM 336 CA LEU A 497 7.298 17.318 12.422 1.00 0.00 C ATOM 337 C LEU A 497 7.002 17.083 13.913 1.00 0.00 C ATOM 338 O LEU A 497 7.894 17.105 14.759 1.00 0.00 O ATOM 339 CB LEU A 497 7.344 15.960 11.695 1.00 0.00 C ATOM 340 CG LEU A 497 7.282 16.013 10.159 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.543 14.604 9.631 1.00 0.00 C ATOM 342 CD2 LEU A 497 5.924 16.483 9.626 1.00 0.00 C ATOM 0 H LEU A 497 9.301 17.756 12.805 1.00 0.00 H new ATOM 0 HA LEU A 497 6.495 17.944 12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.261 15.447 11.984 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.513 15.352 12.051 1.00 0.00 H new ATOM 0 HG LEU A 497 8.028 16.732 9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.505 14.611 8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.528 14.270 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 497 6.783 13.924 10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 497 5.946 16.498 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.144 15.800 9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.714 17.486 9.999 1.00 0.00 H new ATOM 354 N SER A 498 5.721 16.845 14.216 1.00 0.00 N ATOM 355 CA SER A 498 5.196 16.587 15.563 1.00 0.00 C ATOM 356 C SER A 498 4.991 15.084 15.753 1.00 0.00 C ATOM 357 O SER A 498 4.312 14.441 14.944 1.00 0.00 O ATOM 358 CB SER A 498 3.864 17.334 15.735 1.00 0.00 C ATOM 359 OG SER A 498 3.481 17.411 17.097 1.00 0.00 O ATOM 0 H SER A 498 4.993 16.826 13.502 1.00 0.00 H new ATOM 0 HA SER A 498 5.904 16.941 16.312 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.955 18.340 15.325 1.00 0.00 H new ATOM 0 HB3 SER A 498 3.085 16.826 15.166 1.00 0.00 H new ATOM 0 HG SER A 498 2.631 17.893 17.171 1.00 0.00 H new ATOM 365 N VAL A 499 5.570 14.517 16.814 1.00 0.00 N ATOM 366 CA VAL A 499 5.538 13.074 17.117 1.00 0.00 C ATOM 367 C VAL A 499 5.409 12.822 18.622 1.00 0.00 C ATOM 368 O VAL A 499 5.615 13.715 19.443 1.00 0.00 O ATOM 369 CB VAL A 499 6.766 12.323 16.554 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.912 12.502 15.035 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.098 12.726 17.196 1.00 0.00 C ATOM 0 H VAL A 499 6.088 15.057 17.507 1.00 0.00 H new ATOM 0 HA VAL A 499 4.654 12.678 16.618 1.00 0.00 H new ATOM 0 HB VAL A 499 6.562 11.281 16.801 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.789 11.956 14.687 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.023 12.117 14.536 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.028 13.561 14.803 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.908 12.153 16.744 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.273 13.790 17.035 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.062 12.523 18.266 1.00 0.00 H new ATOM 381 N LYS A 500 5.084 11.585 19.002 1.00 0.00 N ATOM 382 CA LYS A 500 4.803 11.193 20.388 1.00 0.00 C ATOM 383 C LYS A 500 5.639 9.982 20.771 1.00 0.00 C ATOM 384 O LYS A 500 5.926 9.138 19.922 1.00 0.00 O ATOM 385 CB LYS A 500 3.304 10.896 20.569 1.00 0.00 C ATOM 386 CG LYS A 500 2.389 12.035 20.072 1.00 0.00 C ATOM 387 CD LYS A 500 1.781 11.821 18.671 1.00 0.00 C ATOM 388 CE LYS A 500 0.453 11.043 18.659 1.00 0.00 C ATOM 389 NZ LYS A 500 0.601 9.621 19.064 1.00 0.00 N ATOM 0 H LYS A 500 5.007 10.810 18.343 1.00 0.00 H new ATOM 0 HA LYS A 500 5.070 12.020 21.046 1.00 0.00 H new ATOM 0 HB2 LYS A 500 3.055 9.980 20.033 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.102 10.712 21.624 1.00 0.00 H new ATOM 0 HG2 LYS A 500 1.577 12.166 20.787 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.961 12.963 20.065 1.00 0.00 H new ATOM 0 HD2 LYS A 500 1.621 12.794 18.207 1.00 0.00 H new ATOM 0 HD3 LYS A 500 2.504 11.288 18.053 1.00 0.00 H new ATOM 0 HE2 LYS A 500 -0.253 11.533 19.330 1.00 0.00 H new ATOM 0 HE3 LYS A 500 0.024 11.086 17.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -0.216 9.076 18.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 1.473 9.232 18.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 0.650 9.559 20.101 1.00 0.00 H new ATOM 403 N GLN A 501 6.022 9.870 22.040 1.00 0.00 N ATOM 404 CA GLN A 501 6.649 8.638 22.531 1.00 0.00 C ATOM 405 C GLN A 501 5.755 7.411 22.311 1.00 0.00 C ATOM 406 O GLN A 501 4.523 7.509 22.282 1.00 0.00 O ATOM 407 CB GLN A 501 7.103 8.758 23.989 1.00 0.00 C ATOM 408 CG GLN A 501 5.988 9.151 24.963 1.00 0.00 C ATOM 409 CD GLN A 501 6.464 9.209 26.411 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.822 8.205 27.020 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.467 10.377 27.018 1.00 0.00 N ATOM 0 H GLN A 501 5.913 10.603 22.741 1.00 0.00 H new ATOM 0 HA GLN A 501 7.549 8.489 21.934 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.527 7.805 24.305 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.901 9.498 24.050 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.588 10.124 24.677 1.00 0.00 H new ATOM 0 HG3 GLN A 501 5.171 8.434 24.882 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.170 11.214 26.516 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.766 10.445 27.991 1.00 0.00 H new ATOM 420 N ARG A 502 6.403 6.246 22.186 1.00 0.00 N ATOM 421 CA ARG A 502 5.777 4.933 21.952 1.00 0.00 C ATOM 422 C ARG A 502 5.131 4.782 20.558 1.00 0.00 C ATOM 423 O ARG A 502 4.336 3.864 20.344 1.00 0.00 O ATOM 424 CB ARG A 502 4.834 4.535 23.111 1.00 0.00 C ATOM 425 CG ARG A 502 5.353 4.830 24.532 1.00 0.00 C ATOM 426 CD ARG A 502 6.667 4.110 24.862 1.00 0.00 C ATOM 427 NE ARG A 502 7.164 4.501 26.197 1.00 0.00 N ATOM 428 CZ ARG A 502 8.081 3.873 26.914 1.00 0.00 C ATOM 429 NH1 ARG A 502 8.662 2.780 26.501 1.00 0.00 N ATOM 430 NH2 ARG A 502 8.435 4.338 28.077 1.00 0.00 N ATOM 0 H ARG A 502 7.419 6.187 22.247 1.00 0.00 H new ATOM 0 HA ARG A 502 6.592 4.209 21.945 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.885 5.054 22.976 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.627 3.468 23.035 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.499 5.905 24.642 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.594 4.535 25.257 1.00 0.00 H new ATOM 0 HD2 ARG A 502 6.513 3.031 24.829 1.00 0.00 H new ATOM 0 HD3 ARG A 502 7.416 4.348 24.107 1.00 0.00 H new ATOM 0 HE ARG A 502 6.758 5.342 26.608 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.413 2.381 25.596 1.00 0.00 H new ATOM 0 HH12 ARG A 502 9.365 2.325 27.083 1.00 0.00 H new ATOM 0 HH21 ARG A 502 8.005 5.189 28.438 1.00 0.00 H new ATOM 0 HH22 ARG A 502 9.143 3.851 28.627 1.00 0.00 H new ATOM 444 N ASP A 503 5.502 5.644 19.603 1.00 0.00 N ATOM 445 CA ASP A 503 5.102 5.558 18.186 1.00 0.00 C ATOM 446 C ASP A 503 6.281 5.087 17.320 1.00 0.00 C ATOM 447 O ASP A 503 7.438 5.318 17.674 1.00 0.00 O ATOM 448 CB ASP A 503 4.630 6.931 17.667 1.00 0.00 C ATOM 449 CG ASP A 503 3.231 7.360 18.141 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.496 6.577 18.790 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.817 8.493 17.802 1.00 0.00 O ATOM 0 H ASP A 503 6.105 6.444 19.796 1.00 0.00 H new ATOM 0 HA ASP A 503 4.284 4.841 18.118 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.350 7.687 17.979 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.638 6.913 16.577 1.00 0.00 H new ATOM 456 N VAL A 504 5.993 4.479 16.162 1.00 0.00 N ATOM 457 CA VAL A 504 7.003 3.982 15.208 1.00 0.00 C ATOM 458 C VAL A 504 6.888 4.723 13.871 1.00 0.00 C ATOM 459 O VAL A 504 5.782 4.912 13.357 1.00 0.00 O ATOM 460 CB VAL A 504 6.891 2.453 15.020 1.00 0.00 C ATOM 461 CG1 VAL A 504 7.871 1.905 13.971 1.00 0.00 C ATOM 462 CG2 VAL A 504 7.182 1.710 16.333 1.00 0.00 C ATOM 0 H VAL A 504 5.035 4.314 15.853 1.00 0.00 H new ATOM 0 HA VAL A 504 7.992 4.184 15.621 1.00 0.00 H new ATOM 0 HB VAL A 504 5.868 2.283 14.686 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.745 0.826 13.884 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.671 2.373 13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.893 2.127 14.277 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.096 0.636 16.170 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.192 1.946 16.669 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.465 2.020 17.093 1.00 0.00 H new ATOM 472 N LEU A 505 8.030 5.135 13.306 1.00 0.00 N ATOM 473 CA LEU A 505 8.137 5.979 12.103 1.00 0.00 C ATOM 474 C LEU A 505 9.097 5.359 11.076 1.00 0.00 C ATOM 475 O LEU A 505 10.047 4.657 11.433 1.00 0.00 O ATOM 476 CB LEU A 505 8.601 7.404 12.475 1.00 0.00 C ATOM 477 CG LEU A 505 7.831 8.072 13.634 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.533 9.356 14.055 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.393 8.441 13.259 1.00 0.00 C ATOM 0 H LEU A 505 8.942 4.881 13.687 1.00 0.00 H new ATOM 0 HA LEU A 505 7.147 6.041 11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.658 7.366 12.738 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.515 8.037 11.592 1.00 0.00 H new ATOM 0 HG LEU A 505 7.808 7.340 14.442 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.982 9.820 14.873 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.546 9.126 14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.574 10.043 13.209 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.902 8.907 14.114 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.403 9.139 12.422 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.849 7.541 12.975 1.00 0.00 H new ATOM 491 N GLU A 506 8.859 5.648 9.796 1.00 0.00 N ATOM 492 CA GLU A 506 9.725 5.248 8.680 1.00 0.00 C ATOM 493 C GLU A 506 10.779 6.330 8.414 1.00 0.00 C ATOM 494 O GLU A 506 10.446 7.428 7.962 1.00 0.00 O ATOM 495 CB GLU A 506 8.859 4.994 7.434 1.00 0.00 C ATOM 496 CG GLU A 506 9.697 4.664 6.185 1.00 0.00 C ATOM 497 CD GLU A 506 8.860 4.182 4.979 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.604 4.193 5.028 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.462 3.800 3.947 1.00 0.00 O ATOM 0 H GLU A 506 8.041 6.179 9.497 1.00 0.00 H new ATOM 0 HA GLU A 506 10.252 4.328 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.174 4.170 7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.249 5.875 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.260 5.550 5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.425 3.894 6.441 1.00 0.00 H new ATOM 506 N VAL A 507 12.050 6.026 8.691 1.00 0.00 N ATOM 507 CA VAL A 507 13.198 6.871 8.318 1.00 0.00 C ATOM 508 C VAL A 507 13.490 6.731 6.817 1.00 0.00 C ATOM 509 O VAL A 507 13.245 5.688 6.210 1.00 0.00 O ATOM 510 CB VAL A 507 14.457 6.495 9.137 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.659 7.392 8.836 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.214 6.496 10.648 1.00 0.00 C ATOM 0 H VAL A 507 12.319 5.176 9.187 1.00 0.00 H new ATOM 0 HA VAL A 507 12.942 7.907 8.541 1.00 0.00 H new ATOM 0 HB VAL A 507 14.685 5.478 8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.509 7.077 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.917 7.313 7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.409 8.426 9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.135 6.225 11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.899 7.490 10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.435 5.774 10.892 1.00 0.00 H new ATOM 522 N LEU A 508 14.060 7.789 6.245 1.00 0.00 N ATOM 523 CA LEU A 508 14.405 7.979 4.838 1.00 0.00 C ATOM 524 C LEU A 508 15.875 8.409 4.658 1.00 0.00 C ATOM 525 O LEU A 508 16.463 8.149 3.607 1.00 0.00 O ATOM 526 CB LEU A 508 13.465 9.045 4.242 1.00 0.00 C ATOM 527 CG LEU A 508 11.953 8.788 4.407 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.178 10.003 3.899 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.476 7.557 3.635 1.00 0.00 C ATOM 0 H LEU A 508 14.314 8.605 6.802 1.00 0.00 H new ATOM 0 HA LEU A 508 14.284 7.029 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.701 10.005 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.683 9.138 3.178 1.00 0.00 H new ATOM 0 HG LEU A 508 11.772 8.612 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.109 9.826 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.464 10.884 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.408 10.167 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.405 7.424 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.677 7.693 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 508 12.005 6.675 3.994 1.00 0.00 H new ATOM 541 N ASP A 509 16.491 9.018 5.683 1.00 0.00 N ATOM 542 CA ASP A 509 17.917 9.391 5.702 1.00 0.00 C ATOM 543 C ASP A 509 18.467 9.385 7.138 1.00 0.00 C ATOM 544 O ASP A 509 17.810 9.889 8.046 1.00 0.00 O ATOM 545 CB ASP A 509 18.099 10.798 5.112 1.00 0.00 C ATOM 546 CG ASP A 509 18.094 10.827 3.576 1.00 0.00 C ATOM 547 OD1 ASP A 509 19.073 10.335 2.961 1.00 0.00 O ATOM 548 OD2 ASP A 509 17.151 11.401 2.976 1.00 0.00 O ATOM 0 H ASP A 509 16.002 9.271 6.542 1.00 0.00 H new ATOM 0 HA ASP A 509 18.462 8.660 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.302 11.444 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.040 11.215 5.472 1.00 0.00 H new ATOM 553 N ASP A 510 19.678 8.849 7.335 1.00 0.00 N ATOM 554 CA ASP A 510 20.260 8.543 8.656 1.00 0.00 C ATOM 555 C ASP A 510 21.782 8.810 8.740 1.00 0.00 C ATOM 556 O ASP A 510 22.549 8.053 9.341 1.00 0.00 O ATOM 557 CB ASP A 510 19.857 7.121 9.095 1.00 0.00 C ATOM 558 CG ASP A 510 20.023 6.049 8.001 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.172 5.753 7.590 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.001 5.477 7.551 1.00 0.00 O ATOM 0 H ASP A 510 20.299 8.608 6.563 1.00 0.00 H new ATOM 0 HA ASP A 510 19.836 9.244 9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.457 6.837 9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.816 7.135 9.419 1.00 0.00 H new ATOM 565 N SER A 511 22.228 9.923 8.140 1.00 0.00 N ATOM 566 CA SER A 511 23.648 10.322 8.034 1.00 0.00 C ATOM 567 C SER A 511 23.967 11.642 8.771 1.00 0.00 C ATOM 568 O SER A 511 25.043 12.226 8.601 1.00 0.00 O ATOM 569 CB SER A 511 24.024 10.379 6.544 1.00 0.00 C ATOM 570 OG SER A 511 25.421 10.231 6.345 1.00 0.00 O ATOM 0 H SER A 511 21.596 10.593 7.701 1.00 0.00 H new ATOM 0 HA SER A 511 24.260 9.575 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.495 9.592 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.696 11.329 6.123 1.00 0.00 H new ATOM 0 HG SER A 511 25.904 10.792 6.987 1.00 0.00 H new ATOM 576 N ARG A 512 23.025 12.138 9.592 1.00 0.00 N ATOM 577 CA ARG A 512 23.065 13.443 10.293 1.00 0.00 C ATOM 578 C ARG A 512 22.479 13.342 11.715 1.00 0.00 C ATOM 579 O ARG A 512 21.903 12.317 12.084 1.00 0.00 O ATOM 580 CB ARG A 512 22.294 14.499 9.462 1.00 0.00 C ATOM 581 CG ARG A 512 22.784 14.637 8.010 1.00 0.00 C ATOM 582 CD ARG A 512 22.056 15.758 7.259 1.00 0.00 C ATOM 583 NE ARG A 512 22.353 15.684 5.813 1.00 0.00 N ATOM 584 CZ ARG A 512 21.521 15.899 4.806 1.00 0.00 C ATOM 585 NH1 ARG A 512 20.313 16.356 4.973 1.00 0.00 N ATOM 586 NH2 ARG A 512 21.897 15.643 3.585 1.00 0.00 N ATOM 0 H ARG A 512 22.172 11.618 9.798 1.00 0.00 H new ATOM 0 HA ARG A 512 24.107 13.748 10.393 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.236 14.237 9.454 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.379 15.467 9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 512 23.856 14.836 8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 512 22.634 13.693 7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 512 20.981 15.675 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 512 22.364 16.727 7.651 1.00 0.00 H new ATOM 0 HE ARG A 512 23.311 15.439 5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 512 19.972 16.564 5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 512 19.708 16.506 4.165 1.00 0.00 H new ATOM 0 HH21 ARG A 512 22.832 15.277 3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 512 21.256 15.808 2.809 1.00 0.00 H new ATOM 600 N LYS A 513 22.571 14.429 12.494 1.00 0.00 N ATOM 601 CA LYS A 513 21.939 14.588 13.828 1.00 0.00 C ATOM 602 C LYS A 513 20.402 14.577 13.804 1.00 0.00 C ATOM 603 O LYS A 513 19.766 14.381 14.837 1.00 0.00 O ATOM 604 CB LYS A 513 22.409 15.910 14.458 1.00 0.00 C ATOM 605 CG LYS A 513 23.897 15.959 14.825 1.00 0.00 C ATOM 606 CD LYS A 513 24.208 15.134 16.083 1.00 0.00 C ATOM 607 CE LYS A 513 25.632 15.393 16.592 1.00 0.00 C ATOM 608 NZ LYS A 513 26.665 14.738 15.740 1.00 0.00 N ATOM 0 H LYS A 513 23.102 15.253 12.212 1.00 0.00 H new ATOM 0 HA LYS A 513 22.251 13.723 14.413 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.194 16.723 13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.822 16.096 15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.489 15.584 13.990 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.196 16.994 14.988 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.491 15.380 16.866 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.087 14.073 15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 513 25.816 16.467 16.621 1.00 0.00 H new ATOM 0 HE3 LYS A 513 25.722 15.027 17.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.610 14.941 16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 26.508 13.710 15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.598 15.105 14.769 1.00 0.00 H new ATOM 622 N TRP A 514 19.792 14.795 12.642 1.00 0.00 N ATOM 623 CA TRP A 514 18.340 14.771 12.457 1.00 0.00 C ATOM 624 C TRP A 514 18.006 13.901 11.255 1.00 0.00 C ATOM 625 O TRP A 514 18.505 14.138 10.151 1.00 0.00 O ATOM 626 CB TRP A 514 17.791 16.184 12.251 1.00 0.00 C ATOM 627 CG TRP A 514 17.810 17.098 13.440 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.891 17.502 14.150 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.671 17.755 14.067 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.491 18.281 15.217 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.124 18.456 15.222 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.295 17.829 13.768 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.248 19.139 16.073 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.408 18.548 14.586 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.879 19.191 15.749 1.00 0.00 C ATOM 0 H TRP A 514 20.303 14.998 11.783 1.00 0.00 H new ATOM 0 HA TRP A 514 17.876 14.358 13.353 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.361 16.656 11.451 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.761 16.101 11.903 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.915 17.251 13.916 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.125 18.676 15.912 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.916 17.323 12.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.617 19.620 16.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.362 18.608 14.323 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.191 19.722 16.390 1.00 0.00 H new ATOM 646 N TRP A 515 17.186 12.878 11.475 1.00 0.00 N ATOM 647 CA TRP A 515 16.810 11.946 10.414 1.00 0.00 C ATOM 648 C TRP A 515 15.532 12.427 9.730 1.00 0.00 C ATOM 649 O TRP A 515 14.600 12.915 10.381 1.00 0.00 O ATOM 650 CB TRP A 515 16.718 10.508 10.945 1.00 0.00 C ATOM 651 CG TRP A 515 17.990 9.938 11.519 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.203 10.538 11.599 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.203 8.594 12.040 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.129 9.672 12.144 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.567 8.449 12.431 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.374 7.470 12.181 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.079 7.250 12.947 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.872 6.255 12.685 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.220 6.144 13.077 1.00 0.00 C ATOM 0 H TRP A 515 16.767 12.672 12.382 1.00 0.00 H new ATOM 0 HA TRP A 515 17.590 11.926 9.653 1.00 0.00 H new ATOM 0 HB2 TRP A 515 15.947 10.474 11.715 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.386 9.861 10.133 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.414 11.549 11.282 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.107 9.909 12.313 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.334 7.539 11.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.116 7.177 13.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.216 5.401 12.772 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.593 5.212 13.476 1.00 0.00 H new ATOM 670 N LYS A 516 15.495 12.305 8.399 1.00 0.00 N ATOM 671 CA LYS A 516 14.292 12.513 7.607 1.00 0.00 C ATOM 672 C LYS A 516 13.428 11.288 7.824 1.00 0.00 C ATOM 673 O LYS A 516 13.849 10.184 7.497 1.00 0.00 O ATOM 674 CB LYS A 516 14.661 12.732 6.130 1.00 0.00 C ATOM 675 CG LYS A 516 13.441 13.201 5.330 1.00 0.00 C ATOM 676 CD LYS A 516 13.814 13.523 3.876 1.00 0.00 C ATOM 677 CE LYS A 516 12.566 13.922 3.077 1.00 0.00 C ATOM 678 NZ LYS A 516 12.919 14.402 1.714 1.00 0.00 N ATOM 0 H LYS A 516 16.312 12.056 7.841 1.00 0.00 H new ATOM 0 HA LYS A 516 13.744 13.406 7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.458 13.472 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.046 11.805 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.673 12.427 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.013 14.085 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.543 14.333 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.286 12.656 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.894 13.067 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.026 14.704 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.052 14.663 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.540 15.233 1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.412 13.646 1.197 1.00 0.00 H new ATOM 692 N VAL A 517 12.258 11.474 8.405 1.00 0.00 N ATOM 693 CA VAL A 517 11.248 10.423 8.607 1.00 0.00 C ATOM 694 C VAL A 517 9.884 10.844 8.040 1.00 0.00 C ATOM 695 O VAL A 517 9.728 11.967 7.549 1.00 0.00 O ATOM 696 CB VAL A 517 11.148 9.991 10.094 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.509 9.747 10.758 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.406 11.012 10.959 1.00 0.00 C ATOM 0 H VAL A 517 11.964 12.383 8.764 1.00 0.00 H new ATOM 0 HA VAL A 517 11.577 9.546 8.049 1.00 0.00 H new ATOM 0 HB VAL A 517 10.592 9.055 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.359 9.448 11.796 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.037 8.956 10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.099 10.663 10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.367 10.657 11.989 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.930 11.967 10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.392 11.141 10.581 1.00 0.00 H new ATOM 708 N ARG A 518 8.883 9.960 8.132 1.00 0.00 N ATOM 709 CA ARG A 518 7.487 10.233 7.749 1.00 0.00 C ATOM 710 C ARG A 518 6.528 9.805 8.857 1.00 0.00 C ATOM 711 O ARG A 518 6.711 8.746 9.463 1.00 0.00 O ATOM 712 CB ARG A 518 7.178 9.533 6.415 1.00 0.00 C ATOM 713 CG ARG A 518 5.843 9.988 5.803 1.00 0.00 C ATOM 714 CD ARG A 518 5.605 9.456 4.381 1.00 0.00 C ATOM 715 NE ARG A 518 4.822 8.202 4.366 1.00 0.00 N ATOM 716 CZ ARG A 518 5.271 6.962 4.450 1.00 0.00 C ATOM 717 NH1 ARG A 518 6.535 6.686 4.575 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.446 5.956 4.408 1.00 0.00 N ATOM 0 H ARG A 518 9.022 9.012 8.483 1.00 0.00 H new ATOM 0 HA ARG A 518 7.349 11.305 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 518 7.984 9.733 5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.152 8.455 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.027 9.659 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.814 11.077 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 518 5.082 10.213 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.566 9.286 3.895 1.00 0.00 H new ATOM 0 HE ARG A 518 3.811 8.307 4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 518 7.221 7.440 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 518 6.841 5.715 4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 518 3.444 6.122 4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.801 5.002 4.474 1.00 0.00 H new ATOM 732 N ASP A 519 5.523 10.635 9.133 1.00 0.00 N ATOM 733 CA ASP A 519 4.487 10.331 10.125 1.00 0.00 C ATOM 734 C ASP A 519 3.513 9.223 9.639 1.00 0.00 C ATOM 735 O ASP A 519 3.511 8.865 8.453 1.00 0.00 O ATOM 736 CB ASP A 519 3.821 11.654 10.557 1.00 0.00 C ATOM 737 CG ASP A 519 2.591 12.089 9.736 1.00 0.00 C ATOM 738 OD1 ASP A 519 2.438 11.651 8.572 1.00 0.00 O ATOM 739 OD2 ASP A 519 1.782 12.895 10.256 1.00 0.00 O ATOM 0 H ASP A 519 5.402 11.539 8.676 1.00 0.00 H new ATOM 0 HA ASP A 519 4.930 9.889 11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.523 11.564 11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 519 4.567 12.447 10.506 1.00 0.00 H new ATOM 744 N PRO A 520 2.674 8.652 10.525 1.00 0.00 N ATOM 745 CA PRO A 520 1.740 7.573 10.182 1.00 0.00 C ATOM 746 C PRO A 520 0.490 8.038 9.393 1.00 0.00 C ATOM 747 O PRO A 520 -0.566 7.402 9.469 1.00 0.00 O ATOM 748 CB PRO A 520 1.427 6.898 11.526 1.00 0.00 C ATOM 749 CG PRO A 520 1.545 8.038 12.532 1.00 0.00 C ATOM 750 CD PRO A 520 2.670 8.888 11.961 1.00 0.00 C ATOM 0 HA PRO A 520 2.181 6.870 9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.429 6.459 11.532 1.00 0.00 H new ATOM 0 HB3 PRO A 520 2.130 6.095 11.745 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.616 8.602 12.613 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.784 7.671 13.530 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.509 9.943 12.181 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.628 8.613 12.403 1.00 0.00 H new ATOM 758 N ALA A 521 0.590 9.130 8.623 1.00 0.00 N ATOM 759 CA ALA A 521 -0.478 9.666 7.775 1.00 0.00 C ATOM 760 C ALA A 521 0.002 10.079 6.367 1.00 0.00 C ATOM 761 O ALA A 521 -0.705 9.821 5.388 1.00 0.00 O ATOM 762 CB ALA A 521 -1.121 10.853 8.501 1.00 0.00 C ATOM 0 H ALA A 521 1.447 9.682 8.573 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.206 8.872 7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.920 11.267 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.533 10.518 9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -0.368 11.620 8.682 1.00 0.00 H new ATOM 768 N GLY A 522 1.195 10.677 6.243 1.00 0.00 N ATOM 769 CA GLY A 522 1.791 11.035 4.947 1.00 0.00 C ATOM 770 C GLY A 522 2.737 12.238 4.911 1.00 0.00 C ATOM 771 O GLY A 522 2.977 12.775 3.828 1.00 0.00 O ATOM 0 H GLY A 522 1.777 10.927 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.337 10.167 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.979 11.225 4.245 1.00 0.00 H new ATOM 775 N GLN A 523 3.251 12.692 6.053 1.00 0.00 N ATOM 776 CA GLN A 523 3.970 13.962 6.180 1.00 0.00 C ATOM 777 C GLN A 523 5.452 13.708 6.444 1.00 0.00 C ATOM 778 O GLN A 523 5.797 13.029 7.409 1.00 0.00 O ATOM 779 CB GLN A 523 3.379 14.760 7.346 1.00 0.00 C ATOM 780 CG GLN A 523 1.866 14.951 7.239 1.00 0.00 C ATOM 781 CD GLN A 523 1.335 15.963 8.252 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.102 17.128 7.947 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.120 15.571 9.489 1.00 0.00 N ATOM 0 H GLN A 523 3.179 12.180 6.932 1.00 0.00 H new ATOM 0 HA GLN A 523 3.867 14.523 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.609 14.249 8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.860 15.737 7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.615 15.283 6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.370 13.993 7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 523 1.309 14.605 9.758 1.00 0.00 H new ATOM 0 HE22 GLN A 523 0.764 16.233 10.179 1.00 0.00 H new ATOM 792 N GLU A 524 6.323 14.257 5.598 1.00 0.00 N ATOM 793 CA GLU A 524 7.782 14.104 5.688 1.00 0.00 C ATOM 794 C GLU A 524 8.458 15.391 6.188 1.00 0.00 C ATOM 795 O GLU A 524 7.994 16.510 5.946 1.00 0.00 O ATOM 796 CB GLU A 524 8.377 13.726 4.324 1.00 0.00 C ATOM 797 CG GLU A 524 7.909 12.360 3.809 1.00 0.00 C ATOM 798 CD GLU A 524 8.198 12.185 2.305 1.00 0.00 C ATOM 799 OE1 GLU A 524 9.356 12.392 1.864 1.00 0.00 O ATOM 800 OE2 GLU A 524 7.259 11.842 1.545 1.00 0.00 O ATOM 0 H GLU A 524 6.030 14.835 4.810 1.00 0.00 H new ATOM 0 HA GLU A 524 7.972 13.306 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.109 14.491 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.464 13.724 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.409 11.570 4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.839 12.251 3.989 1.00 0.00 H new ATOM 807 N GLY A 525 9.575 15.219 6.894 1.00 0.00 N ATOM 808 CA GLY A 525 10.305 16.280 7.584 1.00 0.00 C ATOM 809 C GLY A 525 11.368 15.695 8.513 1.00 0.00 C ATOM 810 O GLY A 525 11.615 14.486 8.514 1.00 0.00 O ATOM 0 H GLY A 525 10.011 14.304 7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.777 16.937 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.609 16.891 8.160 1.00 0.00 H new ATOM 814 N TYR A 526 11.992 16.553 9.317 1.00 0.00 N ATOM 815 CA TYR A 526 13.135 16.187 10.150 1.00 0.00 C ATOM 816 C TYR A 526 12.734 16.093 11.624 1.00 0.00 C ATOM 817 O TYR A 526 11.937 16.892 12.124 1.00 0.00 O ATOM 818 CB TYR A 526 14.264 17.201 9.925 1.00 0.00 C ATOM 819 CG TYR A 526 14.901 17.140 8.543 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.746 16.063 8.203 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.671 18.168 7.606 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.360 16.018 6.935 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.284 18.128 6.339 1.00 0.00 C ATOM 824 CZ TYR A 526 16.136 17.055 6.002 1.00 0.00 C ATOM 825 OH TYR A 526 16.744 17.024 4.785 1.00 0.00 O ATOM 0 H TYR A 526 11.716 17.531 9.409 1.00 0.00 H new ATOM 0 HA TYR A 526 13.494 15.198 9.864 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.871 18.205 10.086 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.037 17.037 10.675 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.923 15.271 8.916 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.021 18.991 7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 526 17.003 15.190 6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.102 18.918 5.626 1.00 0.00 H new ATOM 0 HH TYR A 526 16.480 17.813 4.267 1.00 0.00 H new ATOM 835 N VAL A 527 13.328 15.127 12.328 1.00 0.00 N ATOM 836 CA VAL A 527 13.184 14.925 13.777 1.00 0.00 C ATOM 837 C VAL A 527 14.551 14.588 14.392 1.00 0.00 C ATOM 838 O VAL A 527 15.405 14.010 13.706 1.00 0.00 O ATOM 839 CB VAL A 527 12.154 13.820 14.104 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.726 14.222 13.714 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.493 12.487 13.436 1.00 0.00 C ATOM 0 H VAL A 527 13.944 14.439 11.894 1.00 0.00 H new ATOM 0 HA VAL A 527 12.810 15.852 14.212 1.00 0.00 H new ATOM 0 HB VAL A 527 12.205 13.694 15.185 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.039 13.413 13.963 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.440 15.122 14.258 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.683 14.417 12.642 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.738 11.746 13.699 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.513 12.617 12.354 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.470 12.146 13.779 1.00 0.00 H new ATOM 851 N PRO A 528 14.799 14.939 15.665 1.00 0.00 N ATOM 852 CA PRO A 528 16.103 14.761 16.292 1.00 0.00 C ATOM 853 C PRO A 528 16.410 13.281 16.546 1.00 0.00 C ATOM 854 O PRO A 528 15.577 12.550 17.083 1.00 0.00 O ATOM 855 CB PRO A 528 16.009 15.547 17.600 1.00 0.00 C ATOM 856 CG PRO A 528 14.526 15.542 17.952 1.00 0.00 C ATOM 857 CD PRO A 528 13.874 15.598 16.577 1.00 0.00 C ATOM 0 HA PRO A 528 16.915 15.115 15.657 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.603 15.080 18.385 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.383 16.564 17.478 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.240 14.646 18.503 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.250 16.397 18.569 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.907 15.094 16.583 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.694 16.629 16.272 1.00 0.00 H new ATOM 865 N TYR A 529 17.628 12.833 16.236 1.00 0.00 N ATOM 866 CA TYR A 529 18.026 11.437 16.486 1.00 0.00 C ATOM 867 C TYR A 529 18.005 11.042 17.974 1.00 0.00 C ATOM 868 O TYR A 529 17.899 9.856 18.283 1.00 0.00 O ATOM 869 CB TYR A 529 19.390 11.115 15.854 1.00 0.00 C ATOM 870 CG TYR A 529 20.609 11.373 16.733 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.879 12.664 17.224 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.449 10.305 17.104 1.00 0.00 C ATOM 873 CE1 TYR A 529 21.971 12.903 18.080 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.547 10.530 17.959 1.00 0.00 C ATOM 875 CZ TYR A 529 22.806 11.827 18.456 1.00 0.00 C ATOM 876 OH TYR A 529 23.849 12.032 19.304 1.00 0.00 O ATOM 0 H TYR A 529 18.356 13.409 15.813 1.00 0.00 H new ATOM 0 HA TYR A 529 17.264 10.829 15.999 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.394 10.065 15.560 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.493 11.702 14.941 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.238 13.485 16.939 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.251 9.310 16.732 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.169 13.900 18.446 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.192 9.709 18.235 1.00 0.00 H new ATOM 0 HH TYR A 529 24.318 11.185 19.457 1.00 0.00 H new ATOM 886 N ASN A 530 18.066 12.010 18.905 1.00 0.00 N ATOM 887 CA ASN A 530 18.087 11.719 20.343 1.00 0.00 C ATOM 888 C ASN A 530 16.784 11.060 20.847 1.00 0.00 C ATOM 889 O ASN A 530 16.828 10.284 21.805 1.00 0.00 O ATOM 890 CB ASN A 530 18.459 12.987 21.143 1.00 0.00 C ATOM 891 CG ASN A 530 17.259 13.783 21.633 1.00 0.00 C ATOM 892 OD1 ASN A 530 16.736 14.656 20.960 1.00 0.00 O ATOM 893 ND2 ASN A 530 16.775 13.493 22.819 1.00 0.00 N ATOM 0 H ASN A 530 18.102 13.005 18.682 1.00 0.00 H new ATOM 0 HA ASN A 530 18.863 10.973 20.514 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.065 12.698 22.001 1.00 0.00 H new ATOM 0 HB3 ASN A 530 19.078 13.630 20.518 1.00 0.00 H new ATOM 0 HD21 ASN A 530 15.963 13.997 23.176 1.00 0.00 H new ATOM 0 HD22 ASN A 530 17.211 12.763 23.383 1.00 0.00 H new ATOM 900 N ILE A 531 15.639 11.341 20.202 1.00 0.00 N ATOM 901 CA ILE A 531 14.349 10.710 20.539 1.00 0.00 C ATOM 902 C ILE A 531 14.092 9.444 19.714 1.00 0.00 C ATOM 903 O ILE A 531 13.110 8.760 19.980 1.00 0.00 O ATOM 904 CB ILE A 531 13.148 11.694 20.465 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.677 11.961 19.016 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.476 13.008 21.198 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.543 12.983 18.885 1.00 0.00 C ATOM 0 H ILE A 531 15.580 12.010 19.434 1.00 0.00 H new ATOM 0 HA ILE A 531 14.433 10.409 21.583 1.00 0.00 H new ATOM 0 HB ILE A 531 12.312 11.212 20.972 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.529 12.308 18.431 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.350 11.019 18.576 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.622 13.683 21.134 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.694 12.796 22.245 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.344 13.476 20.734 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.281 13.103 17.834 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.672 12.632 19.438 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.868 13.941 19.290 1.00 0.00 H new ATOM 919 N LEU A 532 14.938 9.109 18.734 1.00 0.00 N ATOM 920 CA LEU A 532 14.780 7.912 17.904 1.00 0.00 C ATOM 921 C LEU A 532 15.635 6.751 18.439 1.00 0.00 C ATOM 922 O LEU A 532 16.798 6.931 18.805 1.00 0.00 O ATOM 923 CB LEU A 532 15.152 8.248 16.448 1.00 0.00 C ATOM 924 CG LEU A 532 14.315 9.363 15.782 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.768 9.509 14.325 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.808 9.099 15.819 1.00 0.00 C ATOM 0 H LEU A 532 15.758 9.666 18.493 1.00 0.00 H new ATOM 0 HA LEU A 532 13.739 7.590 17.940 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.202 8.541 16.419 1.00 0.00 H new ATOM 0 HB3 LEU A 532 15.057 7.342 15.850 1.00 0.00 H new ATOM 0 HG LEU A 532 14.484 10.278 16.349 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.186 10.293 13.840 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.825 9.772 14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.615 8.566 13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.282 9.922 15.334 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.589 8.169 15.295 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.478 9.018 16.855 1.00 0.00 H new ATOM 938 N THR A 533 15.072 5.541 18.445 1.00 0.00 N ATOM 939 CA THR A 533 15.776 4.295 18.810 1.00 0.00 C ATOM 940 C THR A 533 15.504 3.188 17.774 1.00 0.00 C ATOM 941 O THR A 533 14.372 3.092 17.281 1.00 0.00 O ATOM 942 CB THR A 533 15.413 3.868 20.249 1.00 0.00 C ATOM 943 OG1 THR A 533 16.127 2.720 20.644 1.00 0.00 O ATOM 944 CG2 THR A 533 13.943 3.552 20.478 1.00 0.00 C ATOM 0 H THR A 533 14.095 5.389 18.193 1.00 0.00 H new ATOM 0 HA THR A 533 16.850 4.478 18.795 1.00 0.00 H new ATOM 0 HB THR A 533 15.677 4.746 20.838 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.876 2.477 21.560 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.791 3.263 21.518 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.342 4.434 20.255 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.641 2.733 19.826 1.00 0.00 H new ATOM 952 N PRO A 534 16.511 2.373 17.390 1.00 0.00 N ATOM 953 CA PRO A 534 16.377 1.337 16.361 1.00 0.00 C ATOM 954 C PRO A 534 15.416 0.227 16.816 1.00 0.00 C ATOM 955 O PRO A 534 15.721 -0.547 17.728 1.00 0.00 O ATOM 956 CB PRO A 534 17.800 0.824 16.101 1.00 0.00 C ATOM 957 CG PRO A 534 18.527 1.094 17.416 1.00 0.00 C ATOM 958 CD PRO A 534 17.876 2.385 17.904 1.00 0.00 C ATOM 0 HA PRO A 534 15.940 1.726 15.441 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.804 -0.237 15.852 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.269 1.349 15.269 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.392 0.279 18.127 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.600 1.213 17.268 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.881 2.436 18.993 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.421 3.257 17.541 1.00 0.00 H new