USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9 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 : amide:sc= -0.057 X(o=-0.057,f=0) 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= -0.115 X(o=-0.12,f=-0.12) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 180:sc= -0.0198 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=-0.12) USER MOD Single : A 511 SER OG : rot -40:sc= 0.312 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= -0.0159 K(o=-0.016,f=-0.72) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.821 2.738 7.953 1.00 0.00 N ATOM 75 CA LYS A 481 14.373 1.693 8.895 1.00 0.00 C ATOM 76 C LYS A 481 13.248 2.213 9.791 1.00 0.00 C ATOM 77 O LYS A 481 12.902 3.397 9.758 1.00 0.00 O ATOM 78 CB LYS A 481 15.559 1.198 9.764 1.00 0.00 C ATOM 79 CG LYS A 481 15.590 -0.333 9.931 1.00 0.00 C ATOM 80 CD LYS A 481 16.102 -1.037 8.666 1.00 0.00 C ATOM 81 CE LYS A 481 16.194 -2.551 8.882 1.00 0.00 C ATOM 82 NZ LYS A 481 16.750 -3.235 7.683 1.00 0.00 N ATOM 0 HA LYS A 481 13.991 0.856 8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.495 1.527 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.499 1.663 10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 481 16.229 -0.593 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.588 -0.693 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.434 -0.825 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 481 17.083 -0.644 8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 481 16.824 -2.760 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 481 15.204 -2.950 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 16.800 -4.259 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 16.135 -3.055 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 17.704 -2.870 7.487 1.00 0.00 H new ATOM 96 N TRP A 482 12.701 1.317 10.602 1.00 0.00 N ATOM 97 CA TRP A 482 11.712 1.619 11.631 1.00 0.00 C ATOM 98 C TRP A 482 12.412 2.063 12.922 1.00 0.00 C ATOM 99 O TRP A 482 13.334 1.394 13.403 1.00 0.00 O ATOM 100 CB TRP A 482 10.842 0.374 11.879 1.00 0.00 C ATOM 101 CG TRP A 482 10.614 -0.520 10.695 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.869 -1.849 10.655 1.00 0.00 C ATOM 103 CD2 TRP A 482 10.182 -0.157 9.351 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.634 -2.327 9.384 1.00 0.00 N ATOM 105 CE2 TRP A 482 10.217 -1.325 8.528 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.803 1.055 8.725 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.895 -1.299 7.168 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.496 1.093 7.356 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.535 -0.074 6.572 1.00 0.00 C ATOM 0 H TRP A 482 12.941 0.326 10.561 1.00 0.00 H new ATOM 0 HA TRP A 482 11.072 2.436 11.297 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.305 -0.216 12.670 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.872 0.702 12.253 1.00 0.00 H new ATOM 0 HD1 TRP A 482 11.205 -2.444 11.491 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.753 -3.302 9.108 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.749 1.962 9.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.922 -2.206 6.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.226 2.033 6.898 1.00 0.00 H new ATOM 0 HH2 TRP A 482 9.291 -0.032 5.521 1.00 0.00 H new ATOM 120 N VAL A 483 11.953 3.169 13.503 1.00 0.00 N ATOM 121 CA VAL A 483 12.444 3.698 14.786 1.00 0.00 C ATOM 122 C VAL A 483 11.278 4.150 15.651 1.00 0.00 C ATOM 123 O VAL A 483 10.384 4.867 15.192 1.00 0.00 O ATOM 124 CB VAL A 483 13.447 4.857 14.616 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.789 4.368 14.065 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.928 5.971 13.704 1.00 0.00 C ATOM 0 H VAL A 483 11.214 3.739 13.091 1.00 0.00 H new ATOM 0 HA VAL A 483 12.977 2.882 15.275 1.00 0.00 H new ATOM 0 HB VAL A 483 13.581 5.264 15.618 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.469 5.214 13.959 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.220 3.639 14.751 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.635 3.903 13.092 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.680 6.756 13.625 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.723 5.564 12.714 1.00 0.00 H new ATOM 0 HG23 VAL A 483 12.011 6.387 14.123 1.00 0.00 H new ATOM 136 N LEU A 484 11.276 3.703 16.904 1.00 0.00 N ATOM 137 CA LEU A 484 10.315 4.132 17.917 1.00 0.00 C ATOM 138 C LEU A 484 10.723 5.498 18.491 1.00 0.00 C ATOM 139 O LEU A 484 11.909 5.798 18.641 1.00 0.00 O ATOM 140 CB LEU A 484 10.231 3.020 18.981 1.00 0.00 C ATOM 141 CG LEU A 484 9.466 3.375 20.266 1.00 0.00 C ATOM 142 CD1 LEU A 484 7.989 3.641 19.972 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.592 2.275 21.316 1.00 0.00 C ATOM 0 H LEU A 484 11.952 3.022 17.250 1.00 0.00 H new ATOM 0 HA LEU A 484 9.321 4.276 17.493 1.00 0.00 H new ATOM 0 HB2 LEU A 484 9.759 2.147 18.530 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.245 2.728 19.254 1.00 0.00 H new ATOM 0 HG LEU A 484 9.917 4.284 20.664 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.473 3.890 20.899 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.901 4.473 19.273 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.539 2.750 19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.039 2.561 22.211 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.185 1.345 20.919 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.643 2.132 21.569 1.00 0.00 H new ATOM 155 N CYS A 485 9.732 6.305 18.853 1.00 0.00 N ATOM 156 CA CYS A 485 9.890 7.547 19.593 1.00 0.00 C ATOM 157 C CYS A 485 9.952 7.271 21.107 1.00 0.00 C ATOM 158 O CYS A 485 8.968 6.839 21.712 1.00 0.00 O ATOM 159 CB CYS A 485 8.731 8.478 19.212 1.00 0.00 C ATOM 160 SG CYS A 485 9.184 9.408 17.720 1.00 0.00 S ATOM 0 H CYS A 485 8.758 6.102 18.629 1.00 0.00 H new ATOM 0 HA CYS A 485 10.830 8.034 19.335 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.826 7.898 19.033 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.514 9.163 20.031 1.00 0.00 H new ATOM 0 HG CYS A 485 8.108 9.861 17.148 1.00 0.00 H new ATOM 166 N ASN A 486 11.105 7.523 21.724 1.00 0.00 N ATOM 167 CA ASN A 486 11.323 7.478 23.177 1.00 0.00 C ATOM 168 C ASN A 486 10.705 8.682 23.925 1.00 0.00 C ATOM 169 O ASN A 486 10.376 8.562 25.107 1.00 0.00 O ATOM 170 CB ASN A 486 12.845 7.384 23.441 1.00 0.00 C ATOM 171 CG ASN A 486 13.247 6.099 24.144 1.00 0.00 C ATOM 172 OD1 ASN A 486 13.825 6.097 25.221 1.00 0.00 O ATOM 173 ND2 ASN A 486 12.956 4.960 23.554 1.00 0.00 N ATOM 0 H ASN A 486 11.949 7.774 21.209 1.00 0.00 H new ATOM 0 HA ASN A 486 10.812 6.599 23.569 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.378 7.455 22.493 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.157 8.235 24.046 1.00 0.00 H new ATOM 0 HD21 ASN A 486 13.213 4.077 23.995 1.00 0.00 H new ATOM 0 HD22 ASN A 486 12.474 4.960 22.655 1.00 0.00 H new ATOM 180 N TYR A 487 10.522 9.818 23.235 1.00 0.00 N ATOM 181 CA TYR A 487 9.971 11.073 23.774 1.00 0.00 C ATOM 182 C TYR A 487 9.061 11.773 22.749 1.00 0.00 C ATOM 183 O TYR A 487 9.095 11.472 21.551 1.00 0.00 O ATOM 184 CB TYR A 487 11.108 12.018 24.204 1.00 0.00 C ATOM 185 CG TYR A 487 12.137 11.412 25.150 1.00 0.00 C ATOM 186 CD1 TYR A 487 11.868 11.317 26.528 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.356 10.925 24.640 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.807 10.721 27.392 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.298 10.331 25.497 1.00 0.00 C ATOM 190 CZ TYR A 487 14.026 10.220 26.877 1.00 0.00 C ATOM 191 OH TYR A 487 14.931 9.629 27.704 1.00 0.00 O ATOM 0 H TYR A 487 10.763 9.892 22.247 1.00 0.00 H new ATOM 0 HA TYR A 487 9.367 10.822 24.646 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.623 12.369 23.310 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.669 12.893 24.684 1.00 0.00 H new ATOM 0 HD1 TYR A 487 10.940 11.702 26.924 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.568 11.009 23.584 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.596 10.646 28.449 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.231 9.959 25.099 1.00 0.00 H new ATOM 0 HH TYR A 487 15.710 9.342 27.184 1.00 0.00 H new ATOM 201 N ASP A 488 8.234 12.706 23.222 1.00 0.00 N ATOM 202 CA ASP A 488 7.382 13.566 22.392 1.00 0.00 C ATOM 203 C ASP A 488 8.174 14.725 21.745 1.00 0.00 C ATOM 204 O ASP A 488 9.221 15.143 22.256 1.00 0.00 O ATOM 205 CB ASP A 488 6.273 14.166 23.270 1.00 0.00 C ATOM 206 CG ASP A 488 5.450 13.117 24.030 1.00 0.00 C ATOM 207 OD1 ASP A 488 4.728 12.332 23.378 1.00 0.00 O ATOM 208 OD2 ASP A 488 5.528 13.079 25.284 1.00 0.00 O ATOM 0 H ASP A 488 8.134 12.891 24.220 1.00 0.00 H new ATOM 0 HA ASP A 488 6.969 12.950 21.593 1.00 0.00 H new ATOM 0 HB2 ASP A 488 6.722 14.852 23.988 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.604 14.755 22.642 1.00 0.00 H new ATOM 213 N PHE A 489 7.646 15.293 20.659 1.00 0.00 N ATOM 214 CA PHE A 489 8.188 16.462 19.951 1.00 0.00 C ATOM 215 C PHE A 489 7.100 17.206 19.142 1.00 0.00 C ATOM 216 O PHE A 489 6.075 16.628 18.775 1.00 0.00 O ATOM 217 CB PHE A 489 9.333 15.982 19.045 1.00 0.00 C ATOM 218 CG PHE A 489 10.049 17.075 18.275 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.677 18.134 18.960 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.044 17.056 16.868 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.272 19.186 18.239 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.664 18.093 16.149 1.00 0.00 C ATOM 223 CZ PHE A 489 11.273 19.158 16.834 1.00 0.00 C ATOM 0 H PHE A 489 6.792 14.938 20.228 1.00 0.00 H new ATOM 0 HA PHE A 489 8.564 17.183 20.677 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.063 15.454 19.658 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.933 15.260 18.333 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.702 18.138 20.040 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.564 16.245 16.341 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.727 20.013 18.764 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.672 18.071 15.069 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.743 19.957 16.279 1.00 0.00 H new ATOM 233 N GLN A 490 7.312 18.489 18.838 1.00 0.00 N ATOM 234 CA GLN A 490 6.331 19.373 18.189 1.00 0.00 C ATOM 235 C GLN A 490 6.960 20.129 17.017 1.00 0.00 C ATOM 236 O GLN A 490 8.038 20.704 17.161 1.00 0.00 O ATOM 237 CB GLN A 490 5.789 20.381 19.215 1.00 0.00 C ATOM 238 CG GLN A 490 4.796 19.741 20.193 1.00 0.00 C ATOM 239 CD GLN A 490 4.479 20.681 21.355 1.00 0.00 C ATOM 240 OE1 GLN A 490 3.519 21.442 21.339 1.00 0.00 O ATOM 241 NE2 GLN A 490 5.282 20.679 22.403 1.00 0.00 N ATOM 0 H GLN A 490 8.195 18.958 19.041 1.00 0.00 H new ATOM 0 HA GLN A 490 5.518 18.757 17.805 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.621 20.809 19.774 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.301 21.202 18.691 1.00 0.00 H new ATOM 0 HG2 GLN A 490 3.876 19.487 19.667 1.00 0.00 H new ATOM 0 HG3 GLN A 490 5.211 18.810 20.578 1.00 0.00 H new ATOM 0 HE21 GLN A 490 6.085 20.050 22.429 1.00 0.00 H new ATOM 0 HE22 GLN A 490 5.099 21.306 23.187 1.00 0.00 H new ATOM 250 N ALA A 491 6.264 20.167 15.875 1.00 0.00 N ATOM 251 CA ALA A 491 6.751 20.847 14.675 1.00 0.00 C ATOM 252 C ALA A 491 6.626 22.371 14.822 1.00 0.00 C ATOM 253 O ALA A 491 5.537 22.942 14.674 1.00 0.00 O ATOM 254 CB ALA A 491 6.028 20.348 13.416 1.00 0.00 C ATOM 0 H ALA A 491 5.351 19.728 15.759 1.00 0.00 H new ATOM 0 HA ALA A 491 7.808 20.606 14.560 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.414 20.874 12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.197 19.278 13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 491 4.959 20.538 13.511 1.00 0.00 H new ATOM 260 N ARG A 492 7.738 23.039 15.121 1.00 0.00 N ATOM 261 CA ARG A 492 7.807 24.506 15.241 1.00 0.00 C ATOM 262 C ARG A 492 7.909 25.195 13.865 1.00 0.00 C ATOM 263 O ARG A 492 7.684 26.403 13.775 1.00 0.00 O ATOM 264 CB ARG A 492 8.965 24.896 16.186 1.00 0.00 C ATOM 265 CG ARG A 492 8.915 24.171 17.556 1.00 0.00 C ATOM 266 CD ARG A 492 10.163 23.327 17.873 1.00 0.00 C ATOM 267 NE ARG A 492 11.085 23.997 18.810 1.00 0.00 N ATOM 268 CZ ARG A 492 11.007 24.006 20.130 1.00 0.00 C ATOM 269 NH1 ARG A 492 10.019 23.447 20.776 1.00 0.00 N ATOM 270 NH2 ARG A 492 11.932 24.587 20.838 1.00 0.00 N ATOM 0 H ARG A 492 8.632 22.577 15.290 1.00 0.00 H new ATOM 0 HA ARG A 492 6.876 24.865 15.679 1.00 0.00 H new ATOM 0 HB2 ARG A 492 9.913 24.670 15.698 1.00 0.00 H new ATOM 0 HB3 ARG A 492 8.941 25.973 16.352 1.00 0.00 H new ATOM 0 HG2 ARG A 492 8.784 24.914 18.342 1.00 0.00 H new ATOM 0 HG3 ARG A 492 8.038 23.524 17.580 1.00 0.00 H new ATOM 0 HD2 ARG A 492 9.852 22.372 18.297 1.00 0.00 H new ATOM 0 HD3 ARG A 492 10.692 23.107 16.946 1.00 0.00 H new ATOM 0 HE ARG A 492 11.865 24.507 18.396 1.00 0.00 H new ATOM 0 HH11 ARG A 492 9.271 22.982 20.261 1.00 0.00 H new ATOM 0 HH12 ARG A 492 9.995 23.476 21.795 1.00 0.00 H new ATOM 0 HH21 ARG A 492 12.721 25.038 20.375 1.00 0.00 H new ATOM 0 HH22 ARG A 492 11.868 24.592 21.856 1.00 0.00 H new ATOM 284 N ASN A 493 8.205 24.431 12.803 1.00 0.00 N ATOM 285 CA ASN A 493 8.364 24.882 11.404 1.00 0.00 C ATOM 286 C ASN A 493 7.990 23.766 10.394 1.00 0.00 C ATOM 287 O ASN A 493 7.785 22.617 10.787 1.00 0.00 O ATOM 288 CB ASN A 493 9.830 25.324 11.188 1.00 0.00 C ATOM 289 CG ASN A 493 10.198 26.593 11.941 1.00 0.00 C ATOM 290 OD1 ASN A 493 9.836 27.697 11.556 1.00 0.00 O ATOM 291 ND2 ASN A 493 10.939 26.482 13.023 1.00 0.00 N ATOM 0 H ASN A 493 8.349 23.426 12.898 1.00 0.00 H new ATOM 0 HA ASN A 493 7.686 25.717 11.228 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.494 24.519 11.502 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.001 25.480 10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.212 27.317 13.542 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.240 25.561 13.343 1.00 0.00 H new ATOM 298 N SER A 494 7.947 24.066 9.086 1.00 0.00 N ATOM 299 CA SER A 494 7.711 23.052 8.030 1.00 0.00 C ATOM 300 C SER A 494 8.904 22.121 7.766 1.00 0.00 C ATOM 301 O SER A 494 8.733 21.043 7.193 1.00 0.00 O ATOM 302 CB SER A 494 7.338 23.686 6.689 1.00 0.00 C ATOM 303 OG SER A 494 6.253 24.588 6.836 1.00 0.00 O ATOM 0 H SER A 494 8.073 25.012 8.726 1.00 0.00 H new ATOM 0 HA SER A 494 6.885 22.465 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.200 24.213 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.073 22.906 5.975 1.00 0.00 H new ATOM 0 HG SER A 494 6.034 24.982 5.965 1.00 0.00 H new ATOM 309 N SER A 495 10.116 22.523 8.171 1.00 0.00 N ATOM 310 CA SER A 495 11.327 21.687 8.095 1.00 0.00 C ATOM 311 C SER A 495 11.305 20.482 9.043 1.00 0.00 C ATOM 312 O SER A 495 12.100 19.558 8.902 1.00 0.00 O ATOM 313 CB SER A 495 12.568 22.537 8.394 1.00 0.00 C ATOM 314 OG SER A 495 12.464 23.150 9.668 1.00 0.00 O ATOM 0 H SER A 495 10.288 23.448 8.565 1.00 0.00 H new ATOM 0 HA SER A 495 11.359 21.293 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.460 21.911 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.684 23.302 7.626 1.00 0.00 H new ATOM 0 HG SER A 495 13.266 23.686 9.840 1.00 0.00 H new ATOM 320 N GLU A 496 10.378 20.470 9.991 1.00 0.00 N ATOM 321 CA GLU A 496 10.253 19.517 11.087 1.00 0.00 C ATOM 322 C GLU A 496 8.828 18.943 11.169 1.00 0.00 C ATOM 323 O GLU A 496 7.955 19.262 10.355 1.00 0.00 O ATOM 324 CB GLU A 496 10.706 20.180 12.401 1.00 0.00 C ATOM 325 CG GLU A 496 10.080 21.557 12.641 1.00 0.00 C ATOM 326 CD GLU A 496 10.659 22.219 13.896 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.280 21.781 15.000 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.434 23.202 13.781 1.00 0.00 O ATOM 0 H GLU A 496 9.642 21.175 10.017 1.00 0.00 H new ATOM 0 HA GLU A 496 10.907 18.665 10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.453 19.525 13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.791 20.280 12.392 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.257 22.195 11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.000 21.455 12.746 1.00 0.00 H new ATOM 335 N LEU A 497 8.605 18.060 12.141 1.00 0.00 N ATOM 336 CA LEU A 497 7.372 17.285 12.317 1.00 0.00 C ATOM 337 C LEU A 497 6.980 17.120 13.794 1.00 0.00 C ATOM 338 O LEU A 497 7.780 17.356 14.698 1.00 0.00 O ATOM 339 CB LEU A 497 7.545 15.902 11.664 1.00 0.00 C ATOM 340 CG LEU A 497 7.552 15.881 10.130 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.812 14.443 9.690 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.234 16.355 9.512 1.00 0.00 C ATOM 0 H LEU A 497 9.303 17.855 12.856 1.00 0.00 H new ATOM 0 HA LEU A 497 6.565 17.837 11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.480 15.469 12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.741 15.254 12.013 1.00 0.00 H new ATOM 0 HG LEU A 497 8.325 16.569 9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.823 14.392 8.601 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.775 14.112 10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.024 13.796 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.307 16.315 8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.422 15.708 9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 497 6.033 17.380 9.825 1.00 0.00 H new ATOM 354 N SER A 498 5.726 16.719 14.027 1.00 0.00 N ATOM 355 CA SER A 498 5.118 16.603 15.356 1.00 0.00 C ATOM 356 C SER A 498 4.809 15.133 15.634 1.00 0.00 C ATOM 357 O SER A 498 3.966 14.529 14.964 1.00 0.00 O ATOM 358 CB SER A 498 3.845 17.460 15.426 1.00 0.00 C ATOM 359 OG SER A 498 3.466 17.707 16.771 1.00 0.00 O ATOM 0 H SER A 498 5.088 16.459 13.275 1.00 0.00 H new ATOM 0 HA SER A 498 5.808 16.967 16.117 1.00 0.00 H new ATOM 0 HB2 SER A 498 4.012 18.407 14.913 1.00 0.00 H new ATOM 0 HB3 SER A 498 3.033 16.954 14.904 1.00 0.00 H new ATOM 0 HG SER A 498 2.654 18.256 16.787 1.00 0.00 H new ATOM 365 N VAL A 499 5.511 14.557 16.609 1.00 0.00 N ATOM 366 CA VAL A 499 5.504 13.120 16.927 1.00 0.00 C ATOM 367 C VAL A 499 5.395 12.922 18.438 1.00 0.00 C ATOM 368 O VAL A 499 5.681 13.827 19.225 1.00 0.00 O ATOM 369 CB VAL A 499 6.750 12.391 16.368 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.852 12.498 14.842 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.075 12.878 16.963 1.00 0.00 C ATOM 0 H VAL A 499 6.124 15.093 17.224 1.00 0.00 H new ATOM 0 HA VAL A 499 4.634 12.677 16.442 1.00 0.00 H new ATOM 0 HB VAL A 499 6.597 11.353 16.665 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.742 11.971 14.499 1.00 0.00 H new ATOM 0 HG12 VAL A 499 5.968 12.052 14.386 1.00 0.00 H new ATOM 0 HG13 VAL A 499 6.918 13.547 14.554 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.900 12.319 16.521 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.201 13.940 16.750 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.068 12.722 18.042 1.00 0.00 H new ATOM 381 N LYS A 500 4.991 11.734 18.874 1.00 0.00 N ATOM 382 CA LYS A 500 4.743 11.426 20.285 1.00 0.00 C ATOM 383 C LYS A 500 5.513 10.174 20.671 1.00 0.00 C ATOM 384 O LYS A 500 5.772 9.318 19.821 1.00 0.00 O ATOM 385 CB LYS A 500 3.230 11.294 20.534 1.00 0.00 C ATOM 386 CG LYS A 500 2.500 12.628 20.288 1.00 0.00 C ATOM 387 CD LYS A 500 0.976 12.487 20.369 1.00 0.00 C ATOM 388 CE LYS A 500 0.329 13.795 19.891 1.00 0.00 C ATOM 389 NZ LYS A 500 -1.148 13.675 19.784 1.00 0.00 N ATOM 0 H LYS A 500 4.823 10.944 18.251 1.00 0.00 H new ATOM 0 HA LYS A 500 5.099 12.237 20.920 1.00 0.00 H new ATOM 0 HB2 LYS A 500 2.818 10.526 19.879 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.056 10.966 21.559 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.833 13.362 21.022 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.774 13.013 19.306 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.641 11.653 19.752 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.672 12.268 21.392 1.00 0.00 H new ATOM 0 HE2 LYS A 500 0.579 14.598 20.584 1.00 0.00 H new ATOM 0 HE3 LYS A 500 0.742 14.071 18.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -1.547 14.579 19.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 -1.387 12.926 19.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 -1.545 13.437 20.715 1.00 0.00 H new ATOM 403 N GLN A 501 5.900 10.055 21.937 1.00 0.00 N ATOM 404 CA GLN A 501 6.471 8.803 22.429 1.00 0.00 C ATOM 405 C GLN A 501 5.531 7.613 22.168 1.00 0.00 C ATOM 406 O GLN A 501 4.306 7.772 22.096 1.00 0.00 O ATOM 407 CB GLN A 501 6.882 8.885 23.904 1.00 0.00 C ATOM 408 CG GLN A 501 5.743 9.350 24.826 1.00 0.00 C ATOM 409 CD GLN A 501 5.919 8.942 26.288 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.197 7.796 26.625 1.00 0.00 O ATOM 411 NE2 GLN A 501 5.720 9.852 27.220 1.00 0.00 N ATOM 0 H GLN A 501 5.831 10.797 22.633 1.00 0.00 H new ATOM 0 HA GLN A 501 7.386 8.632 21.861 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.229 7.905 24.232 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.723 9.571 24.002 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.664 10.436 24.770 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.802 8.943 24.457 1.00 0.00 H new ATOM 0 HE21 GLN A 501 5.488 10.810 26.956 1.00 0.00 H new ATOM 0 HE22 GLN A 501 5.798 9.599 28.205 1.00 0.00 H new ATOM 420 N ARG A 502 6.123 6.419 22.048 1.00 0.00 N ATOM 421 CA ARG A 502 5.444 5.138 21.774 1.00 0.00 C ATOM 422 C ARG A 502 4.909 4.997 20.334 1.00 0.00 C ATOM 423 O ARG A 502 4.134 4.078 20.055 1.00 0.00 O ATOM 424 CB ARG A 502 4.358 4.820 22.827 1.00 0.00 C ATOM 425 CG ARG A 502 4.756 5.041 24.297 1.00 0.00 C ATOM 426 CD ARG A 502 5.977 4.214 24.709 1.00 0.00 C ATOM 427 NE ARG A 502 6.169 4.244 26.171 1.00 0.00 N ATOM 428 CZ ARG A 502 6.919 3.423 26.885 1.00 0.00 C ATOM 429 NH1 ARG A 502 7.678 2.517 26.332 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.919 3.494 28.185 1.00 0.00 N ATOM 0 H ARG A 502 7.133 6.310 22.143 1.00 0.00 H new ATOM 0 HA ARG A 502 6.224 4.382 21.862 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.482 5.433 22.613 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.057 3.780 22.706 1.00 0.00 H new ATOM 0 HG2 ARG A 502 4.968 6.098 24.457 1.00 0.00 H new ATOM 0 HG3 ARG A 502 3.914 4.784 24.940 1.00 0.00 H new ATOM 0 HD2 ARG A 502 5.851 3.184 24.377 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.867 4.602 24.214 1.00 0.00 H new ATOM 0 HE ARG A 502 5.672 4.973 26.683 1.00 0.00 H new ATOM 0 HH11 ARG A 502 7.706 2.425 25.316 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.244 1.900 26.915 1.00 0.00 H new ATOM 0 HH21 ARG A 502 6.338 4.186 28.658 1.00 0.00 H new ATOM 0 HH22 ARG A 502 7.500 2.857 28.731 1.00 0.00 H new ATOM 444 N ASP A 503 5.354 5.857 19.415 1.00 0.00 N ATOM 445 CA ASP A 503 5.014 5.808 17.984 1.00 0.00 C ATOM 446 C ASP A 503 6.237 5.402 17.150 1.00 0.00 C ATOM 447 O ASP A 503 7.360 5.796 17.467 1.00 0.00 O ATOM 448 CB ASP A 503 4.511 7.181 17.502 1.00 0.00 C ATOM 449 CG ASP A 503 3.117 7.582 18.022 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.359 6.728 18.543 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.737 8.764 17.837 1.00 0.00 O ATOM 0 H ASP A 503 5.978 6.629 19.648 1.00 0.00 H new ATOM 0 HA ASP A 503 4.226 5.066 17.854 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.229 7.942 17.807 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.490 7.182 16.412 1.00 0.00 H new ATOM 456 N VAL A 504 6.027 4.654 16.063 1.00 0.00 N ATOM 457 CA VAL A 504 7.087 4.205 15.140 1.00 0.00 C ATOM 458 C VAL A 504 6.944 4.886 13.776 1.00 0.00 C ATOM 459 O VAL A 504 5.832 5.061 13.269 1.00 0.00 O ATOM 460 CB VAL A 504 7.131 2.664 15.049 1.00 0.00 C ATOM 461 CG1 VAL A 504 5.858 2.033 14.467 1.00 0.00 C ATOM 462 CG2 VAL A 504 8.325 2.155 14.233 1.00 0.00 C ATOM 0 H VAL A 504 5.098 4.334 15.790 1.00 0.00 H new ATOM 0 HA VAL A 504 8.053 4.512 15.540 1.00 0.00 H new ATOM 0 HB VAL A 504 7.227 2.353 16.089 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.970 0.949 14.437 1.00 0.00 H new ATOM 0 HG12 VAL A 504 5.004 2.292 15.093 1.00 0.00 H new ATOM 0 HG13 VAL A 504 5.695 2.409 13.457 1.00 0.00 H new ATOM 0 HG21 VAL A 504 8.306 1.066 14.202 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.266 2.548 13.218 1.00 0.00 H new ATOM 0 HG23 VAL A 504 9.252 2.489 14.698 1.00 0.00 H new ATOM 472 N LEU A 505 8.075 5.292 13.191 1.00 0.00 N ATOM 473 CA LEU A 505 8.147 6.114 11.975 1.00 0.00 C ATOM 474 C LEU A 505 9.150 5.511 10.978 1.00 0.00 C ATOM 475 O LEU A 505 10.164 4.926 11.369 1.00 0.00 O ATOM 476 CB LEU A 505 8.540 7.563 12.343 1.00 0.00 C ATOM 477 CG LEU A 505 7.683 8.225 13.445 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.374 9.494 13.929 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.265 8.601 12.990 1.00 0.00 C ATOM 0 H LEU A 505 8.995 5.051 13.560 1.00 0.00 H new ATOM 0 HA LEU A 505 7.167 6.130 11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.581 7.568 12.665 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.481 8.176 11.444 1.00 0.00 H new ATOM 0 HG LEU A 505 7.586 7.482 14.237 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.771 9.963 14.707 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.355 9.243 14.332 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.491 10.185 13.095 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.727 9.060 13.819 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.324 9.306 12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.737 7.704 12.667 1.00 0.00 H new ATOM 491 N GLU A 506 8.866 5.661 9.685 1.00 0.00 N ATOM 492 CA GLU A 506 9.757 5.249 8.594 1.00 0.00 C ATOM 493 C GLU A 506 10.826 6.318 8.347 1.00 0.00 C ATOM 494 O GLU A 506 10.508 7.418 7.885 1.00 0.00 O ATOM 495 CB GLU A 506 8.923 5.004 7.325 1.00 0.00 C ATOM 496 CG GLU A 506 9.784 4.691 6.090 1.00 0.00 C ATOM 497 CD GLU A 506 8.927 4.202 4.902 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.848 4.786 4.630 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.333 3.226 4.224 1.00 0.00 O ATOM 0 H GLU A 506 7.995 6.079 9.357 1.00 0.00 H new ATOM 0 HA GLU A 506 10.266 4.325 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.237 4.175 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.313 5.885 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.336 5.584 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.521 3.929 6.344 1.00 0.00 H new ATOM 506 N VAL A 507 12.089 6.011 8.642 1.00 0.00 N ATOM 507 CA VAL A 507 13.238 6.854 8.269 1.00 0.00 C ATOM 508 C VAL A 507 13.522 6.719 6.769 1.00 0.00 C ATOM 509 O VAL A 507 13.279 5.674 6.161 1.00 0.00 O ATOM 510 CB VAL A 507 14.496 6.496 9.099 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.688 7.403 8.789 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.249 6.528 10.607 1.00 0.00 C ATOM 0 H VAL A 507 12.351 5.166 9.150 1.00 0.00 H new ATOM 0 HA VAL A 507 12.985 7.891 8.490 1.00 0.00 H new ATOM 0 HB VAL A 507 14.731 5.475 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.540 7.105 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.949 7.314 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.426 8.437 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.168 6.268 11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.933 7.528 10.903 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.470 5.810 10.863 1.00 0.00 H new ATOM 522 N LEU A 508 14.084 7.777 6.196 1.00 0.00 N ATOM 523 CA LEU A 508 14.455 7.963 4.797 1.00 0.00 C ATOM 524 C LEU A 508 15.928 8.412 4.653 1.00 0.00 C ATOM 525 O LEU A 508 16.531 8.193 3.600 1.00 0.00 O ATOM 526 CB LEU A 508 13.545 9.035 4.162 1.00 0.00 C ATOM 527 CG LEU A 508 12.022 8.928 4.398 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.308 10.166 3.834 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.429 7.669 3.762 1.00 0.00 C ATOM 0 H LEU A 508 14.313 8.603 6.750 1.00 0.00 H new ATOM 0 HA LEU A 508 14.334 7.006 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.872 10.009 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.717 9.024 3.086 1.00 0.00 H new ATOM 0 HG LEU A 508 11.868 8.868 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.235 10.078 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.683 11.060 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.498 10.239 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.356 7.635 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.605 7.687 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.902 6.786 4.193 1.00 0.00 H new ATOM 541 N ASP A 509 16.519 9.017 5.697 1.00 0.00 N ATOM 542 CA ASP A 509 17.929 9.443 5.738 1.00 0.00 C ATOM 543 C ASP A 509 18.472 9.393 7.176 1.00 0.00 C ATOM 544 O ASP A 509 17.830 9.907 8.091 1.00 0.00 O ATOM 545 CB ASP A 509 18.061 10.871 5.183 1.00 0.00 C ATOM 546 CG ASP A 509 19.535 11.272 4.999 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.176 11.734 5.972 1.00 0.00 O ATOM 548 OD2 ASP A 509 20.062 11.121 3.869 1.00 0.00 O ATOM 0 H ASP A 509 16.016 9.229 6.559 1.00 0.00 H new ATOM 0 HA ASP A 509 18.513 8.759 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.542 10.940 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.574 11.572 5.861 1.00 0.00 H new ATOM 553 N ASP A 510 19.642 8.780 7.367 1.00 0.00 N ATOM 554 CA ASP A 510 20.234 8.451 8.672 1.00 0.00 C ATOM 555 C ASP A 510 21.766 8.654 8.703 1.00 0.00 C ATOM 556 O ASP A 510 22.537 7.781 9.116 1.00 0.00 O ATOM 557 CB ASP A 510 19.779 7.052 9.132 1.00 0.00 C ATOM 558 CG ASP A 510 19.792 5.965 8.037 1.00 0.00 C ATOM 559 OD1 ASP A 510 20.786 5.843 7.280 1.00 0.00 O ATOM 560 OD2 ASP A 510 18.801 5.200 7.939 1.00 0.00 O ATOM 0 H ASP A 510 20.229 8.486 6.587 1.00 0.00 H new ATOM 0 HA ASP A 510 19.856 9.163 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.423 6.729 9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.768 7.130 9.533 1.00 0.00 H new ATOM 565 N SER A 511 22.215 9.834 8.259 1.00 0.00 N ATOM 566 CA SER A 511 23.637 10.196 8.107 1.00 0.00 C ATOM 567 C SER A 511 24.054 11.440 8.921 1.00 0.00 C ATOM 568 O SER A 511 25.182 11.922 8.770 1.00 0.00 O ATOM 569 CB SER A 511 23.939 10.368 6.609 1.00 0.00 C ATOM 570 OG SER A 511 25.336 10.382 6.356 1.00 0.00 O ATOM 0 H SER A 511 21.584 10.588 7.987 1.00 0.00 H new ATOM 0 HA SER A 511 24.237 9.386 8.522 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.475 9.557 6.048 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.495 11.297 6.252 1.00 0.00 H new ATOM 0 HG SER A 511 25.790 10.894 7.057 1.00 0.00 H new ATOM 576 N ARG A 512 23.161 11.966 9.776 1.00 0.00 N ATOM 577 CA ARG A 512 23.325 13.192 10.589 1.00 0.00 C ATOM 578 C ARG A 512 22.566 13.124 11.932 1.00 0.00 C ATOM 579 O ARG A 512 21.937 12.114 12.250 1.00 0.00 O ATOM 580 CB ARG A 512 22.842 14.409 9.770 1.00 0.00 C ATOM 581 CG ARG A 512 23.716 14.761 8.559 1.00 0.00 C ATOM 582 CD ARG A 512 23.607 16.254 8.215 1.00 0.00 C ATOM 583 NE ARG A 512 24.413 17.099 9.125 1.00 0.00 N ATOM 584 CZ ARG A 512 25.722 17.293 9.075 1.00 0.00 C ATOM 585 NH1 ARG A 512 26.479 16.736 8.170 1.00 0.00 N ATOM 586 NH2 ARG A 512 26.308 18.059 9.950 1.00 0.00 N ATOM 0 H ARG A 512 22.254 11.526 9.930 1.00 0.00 H new ATOM 0 HA ARG A 512 24.383 13.289 10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.827 14.215 9.423 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.794 15.276 10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.755 14.508 8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.411 14.163 7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 512 23.936 16.413 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 512 22.563 16.561 8.267 1.00 0.00 H new ATOM 0 HE ARG A 512 23.907 17.582 9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 512 26.066 16.125 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 512 27.484 16.912 8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 512 25.758 18.513 10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 512 27.317 18.204 9.906 1.00 0.00 H new ATOM 600 N LYS A 513 22.614 14.217 12.708 1.00 0.00 N ATOM 601 CA LYS A 513 21.912 14.438 13.993 1.00 0.00 C ATOM 602 C LYS A 513 20.375 14.432 13.908 1.00 0.00 C ATOM 603 O LYS A 513 19.710 14.223 14.919 1.00 0.00 O ATOM 604 CB LYS A 513 22.339 15.802 14.563 1.00 0.00 C ATOM 605 CG LYS A 513 23.830 15.990 14.873 1.00 0.00 C ATOM 606 CD LYS A 513 24.296 15.170 16.082 1.00 0.00 C ATOM 607 CE LYS A 513 25.685 15.644 16.526 1.00 0.00 C ATOM 608 NZ LYS A 513 26.212 14.823 17.650 1.00 0.00 N ATOM 0 H LYS A 513 23.178 15.024 12.443 1.00 0.00 H new ATOM 0 HA LYS A 513 22.195 13.597 14.626 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.040 16.574 13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.777 15.977 15.481 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.416 15.705 13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.027 17.046 15.059 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.586 15.278 16.902 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.328 14.111 15.825 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.374 15.592 15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 513 25.633 16.689 16.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.153 15.172 17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 25.567 14.892 18.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.285 13.830 17.350 1.00 0.00 H new ATOM 622 N TRP A 514 19.789 14.679 12.739 1.00 0.00 N ATOM 623 CA TRP A 514 18.336 14.675 12.541 1.00 0.00 C ATOM 624 C TRP A 514 17.993 13.808 11.332 1.00 0.00 C ATOM 625 O TRP A 514 18.582 13.954 10.257 1.00 0.00 O ATOM 626 CB TRP A 514 17.795 16.098 12.352 1.00 0.00 C ATOM 627 CG TRP A 514 17.764 16.999 13.554 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.833 17.417 14.276 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.617 17.657 14.159 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.418 18.214 15.320 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.047 18.382 15.311 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.241 17.745 13.838 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.166 19.082 16.132 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.346 18.469 14.636 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.795 19.124 15.801 1.00 0.00 C ATOM 0 H TRP A 514 20.314 14.891 11.890 1.00 0.00 H new ATOM 0 HA TRP A 514 17.864 14.261 13.432 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.394 16.585 11.583 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.779 16.022 11.964 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.861 17.162 14.063 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.043 18.627 16.012 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.872 17.242 12.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.529 19.588 17.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.304 18.526 14.357 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.097 19.652 16.433 1.00 0.00 H new ATOM 646 N TRP A 515 17.063 12.870 11.503 1.00 0.00 N ATOM 647 CA TRP A 515 16.731 11.917 10.442 1.00 0.00 C ATOM 648 C TRP A 515 15.466 12.361 9.716 1.00 0.00 C ATOM 649 O TRP A 515 14.507 12.839 10.338 1.00 0.00 O ATOM 650 CB TRP A 515 16.677 10.480 10.980 1.00 0.00 C ATOM 651 CG TRP A 515 17.966 9.932 11.547 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.169 10.564 11.616 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.221 8.599 12.062 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.115 9.726 12.155 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.591 8.486 12.452 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.428 7.441 12.206 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.138 7.314 12.975 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.963 6.250 12.715 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.313 6.178 13.113 1.00 0.00 C ATOM 0 H TRP A 515 16.527 12.749 12.362 1.00 0.00 H new ATOM 0 HA TRP A 515 17.526 11.909 9.696 1.00 0.00 H new ATOM 0 HB2 TRP A 515 15.914 10.433 11.757 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.351 9.824 10.173 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.354 11.578 11.294 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.087 9.989 12.316 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.388 7.473 11.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.176 7.277 13.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.333 5.377 12.803 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.713 5.261 13.520 1.00 0.00 H new ATOM 670 N LYS A 516 15.469 12.236 8.386 1.00 0.00 N ATOM 671 CA LYS A 516 14.296 12.487 7.558 1.00 0.00 C ATOM 672 C LYS A 516 13.386 11.295 7.722 1.00 0.00 C ATOM 673 O LYS A 516 13.695 10.234 7.197 1.00 0.00 O ATOM 674 CB LYS A 516 14.687 12.754 6.093 1.00 0.00 C ATOM 675 CG LYS A 516 13.456 13.155 5.264 1.00 0.00 C ATOM 676 CD LYS A 516 13.827 13.599 3.843 1.00 0.00 C ATOM 677 CE LYS A 516 12.588 14.177 3.142 1.00 0.00 C ATOM 678 NZ LYS A 516 12.908 14.680 1.778 1.00 0.00 N ATOM 0 H LYS A 516 16.293 11.956 7.854 1.00 0.00 H new ATOM 0 HA LYS A 516 13.774 13.391 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.434 13.547 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.144 11.862 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.767 12.312 5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 516 12.929 13.965 5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.618 14.348 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.216 12.753 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.817 13.409 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.177 14.989 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.047 15.062 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.625 15.430 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.276 13.899 1.198 1.00 0.00 H new ATOM 692 N VAL A 517 12.314 11.435 8.483 1.00 0.00 N ATOM 693 CA VAL A 517 11.311 10.376 8.665 1.00 0.00 C ATOM 694 C VAL A 517 9.951 10.804 8.113 1.00 0.00 C ATOM 695 O VAL A 517 9.757 11.967 7.739 1.00 0.00 O ATOM 696 CB VAL A 517 11.207 9.899 10.135 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.569 9.684 10.806 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.395 10.866 10.997 1.00 0.00 C ATOM 0 H VAL A 517 12.105 12.289 9.000 1.00 0.00 H new ATOM 0 HA VAL A 517 11.652 9.516 8.088 1.00 0.00 H new ATOM 0 HB VAL A 517 10.697 8.938 10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.420 9.351 11.833 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.130 8.928 10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.127 10.621 10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.349 10.491 12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.871 11.846 10.991 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.385 10.951 10.596 1.00 0.00 H new ATOM 708 N ARG A 518 8.997 9.871 8.098 1.00 0.00 N ATOM 709 CA ARG A 518 7.609 10.102 7.691 1.00 0.00 C ATOM 710 C ARG A 518 6.633 9.577 8.740 1.00 0.00 C ATOM 711 O ARG A 518 6.739 8.425 9.173 1.00 0.00 O ATOM 712 CB ARG A 518 7.387 9.499 6.296 1.00 0.00 C ATOM 713 CG ARG A 518 5.967 9.750 5.762 1.00 0.00 C ATOM 714 CD ARG A 518 5.822 9.361 4.290 1.00 0.00 C ATOM 715 NE ARG A 518 5.818 7.899 4.092 1.00 0.00 N ATOM 716 CZ ARG A 518 5.666 7.269 2.940 1.00 0.00 C ATOM 717 NH1 ARG A 518 5.542 7.909 1.811 1.00 0.00 N ATOM 718 NH2 ARG A 518 5.633 5.970 2.902 1.00 0.00 N ATOM 0 H ARG A 518 9.174 8.906 8.377 1.00 0.00 H new ATOM 0 HA ARG A 518 7.413 11.172 7.623 1.00 0.00 H new ATOM 0 HB2 ARG A 518 8.112 9.923 5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.572 8.426 6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.252 9.182 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.717 10.804 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.897 9.781 3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.640 9.800 3.719 1.00 0.00 H new ATOM 0 HE ARG A 518 5.944 7.320 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.561 8.929 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 518 5.426 7.390 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 518 5.725 5.432 3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 518 5.515 5.489 2.010 1.00 0.00 H new ATOM 732 N ASP A 519 5.692 10.424 9.151 1.00 0.00 N ATOM 733 CA ASP A 519 4.603 10.037 10.048 1.00 0.00 C ATOM 734 C ASP A 519 3.592 9.102 9.361 1.00 0.00 C ATOM 735 O ASP A 519 3.427 9.159 8.137 1.00 0.00 O ATOM 736 CB ASP A 519 3.892 11.285 10.574 1.00 0.00 C ATOM 737 CG ASP A 519 4.482 11.809 11.887 1.00 0.00 C ATOM 738 OD1 ASP A 519 5.466 12.587 11.830 1.00 0.00 O ATOM 739 OD2 ASP A 519 3.930 11.469 12.955 1.00 0.00 O ATOM 0 H ASP A 519 5.662 11.404 8.870 1.00 0.00 H new ATOM 0 HA ASP A 519 5.042 9.487 10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.946 12.071 9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.836 11.058 10.723 1.00 0.00 H new ATOM 744 N PRO A 520 2.831 8.304 10.135 1.00 0.00 N ATOM 745 CA PRO A 520 1.844 7.365 9.603 1.00 0.00 C ATOM 746 C PRO A 520 0.657 8.058 8.898 1.00 0.00 C ATOM 747 O PRO A 520 -0.117 7.403 8.194 1.00 0.00 O ATOM 748 CB PRO A 520 1.393 6.532 10.809 1.00 0.00 C ATOM 749 CG PRO A 520 1.599 7.475 11.992 1.00 0.00 C ATOM 750 CD PRO A 520 2.846 8.254 11.587 1.00 0.00 C ATOM 0 HA PRO A 520 2.282 6.747 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.351 6.225 10.717 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.985 5.623 10.913 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.742 8.132 12.140 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.747 6.929 12.924 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.835 9.258 12.012 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.748 7.763 11.952 1.00 0.00 H new ATOM 758 N ALA A 521 0.515 9.380 9.068 1.00 0.00 N ATOM 759 CA ALA A 521 -0.495 10.226 8.433 1.00 0.00 C ATOM 760 C ALA A 521 -0.081 10.729 7.032 1.00 0.00 C ATOM 761 O ALA A 521 -0.928 11.234 6.290 1.00 0.00 O ATOM 762 CB ALA A 521 -0.735 11.420 9.363 1.00 0.00 C ATOM 0 H ALA A 521 1.133 9.910 9.682 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.397 9.634 8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.485 12.078 8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.088 11.063 10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.197 11.970 9.497 1.00 0.00 H new ATOM 768 N GLY A 522 1.206 10.614 6.674 1.00 0.00 N ATOM 769 CA GLY A 522 1.726 10.992 5.356 1.00 0.00 C ATOM 770 C GLY A 522 2.539 12.286 5.309 1.00 0.00 C ATOM 771 O GLY A 522 2.459 13.014 4.316 1.00 0.00 O ATOM 0 H GLY A 522 1.923 10.251 7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.350 10.179 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.886 11.088 4.668 1.00 0.00 H new ATOM 775 N GLN A 523 3.281 12.604 6.372 1.00 0.00 N ATOM 776 CA GLN A 523 4.009 13.873 6.505 1.00 0.00 C ATOM 777 C GLN A 523 5.509 13.635 6.672 1.00 0.00 C ATOM 778 O GLN A 523 5.903 12.828 7.509 1.00 0.00 O ATOM 779 CB GLN A 523 3.489 14.635 7.727 1.00 0.00 C ATOM 780 CG GLN A 523 1.973 14.835 7.751 1.00 0.00 C ATOM 781 CD GLN A 523 1.577 16.058 8.582 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.143 17.079 8.065 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.728 16.025 9.892 1.00 0.00 N ATOM 0 H GLN A 523 3.396 11.984 7.174 1.00 0.00 H new ATOM 0 HA GLN A 523 3.846 14.453 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.786 14.098 8.628 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.972 15.611 7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.605 14.953 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.495 13.946 8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 523 2.088 15.184 10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.485 16.841 10.454 1.00 0.00 H new ATOM 792 N GLU A 524 6.334 14.355 5.912 1.00 0.00 N ATOM 793 CA GLU A 524 7.800 14.224 5.887 1.00 0.00 C ATOM 794 C GLU A 524 8.488 15.541 6.296 1.00 0.00 C ATOM 795 O GLU A 524 8.013 16.640 5.992 1.00 0.00 O ATOM 796 CB GLU A 524 8.285 13.831 4.483 1.00 0.00 C ATOM 797 CG GLU A 524 7.707 12.511 3.949 1.00 0.00 C ATOM 798 CD GLU A 524 7.429 12.581 2.434 1.00 0.00 C ATOM 799 OE1 GLU A 524 8.392 12.652 1.633 1.00 0.00 O ATOM 800 OE2 GLU A 524 6.240 12.557 2.033 1.00 0.00 O ATOM 0 H GLU A 524 5.993 15.072 5.272 1.00 0.00 H new ATOM 0 HA GLU A 524 8.065 13.445 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.029 14.631 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.372 13.756 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.405 11.699 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.783 12.278 4.478 1.00 0.00 H new ATOM 807 N GLY A 525 9.625 15.421 6.976 1.00 0.00 N ATOM 808 CA GLY A 525 10.414 16.524 7.535 1.00 0.00 C ATOM 809 C GLY A 525 11.619 15.969 8.292 1.00 0.00 C ATOM 810 O GLY A 525 12.070 14.869 7.989 1.00 0.00 O ATOM 0 H GLY A 525 10.044 14.510 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.749 17.185 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.796 17.122 8.205 1.00 0.00 H new ATOM 814 N TYR A 526 12.103 16.680 9.309 1.00 0.00 N ATOM 815 CA TYR A 526 13.220 16.249 10.153 1.00 0.00 C ATOM 816 C TYR A 526 12.794 16.103 11.618 1.00 0.00 C ATOM 817 O TYR A 526 11.979 16.878 12.126 1.00 0.00 O ATOM 818 CB TYR A 526 14.382 17.245 10.019 1.00 0.00 C ATOM 819 CG TYR A 526 15.051 17.291 8.656 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.692 16.147 8.139 1.00 0.00 C ATOM 821 CD2 TYR A 526 15.069 18.492 7.919 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.332 16.196 6.885 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.708 18.547 6.665 1.00 0.00 C ATOM 824 CZ TYR A 526 16.333 17.396 6.140 1.00 0.00 C ATOM 825 OH TYR A 526 16.925 17.447 4.914 1.00 0.00 O ATOM 0 H TYR A 526 11.724 17.589 9.576 1.00 0.00 H new ATOM 0 HA TYR A 526 13.549 15.267 9.814 1.00 0.00 H new ATOM 0 HB2 TYR A 526 14.012 18.242 10.256 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.136 16.999 10.766 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.692 15.228 8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.591 19.374 8.318 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.822 15.317 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.720 19.470 6.105 1.00 0.00 H new ATOM 0 HH TYR A 526 16.831 18.349 4.543 1.00 0.00 H new ATOM 835 N VAL A 527 13.392 15.131 12.309 1.00 0.00 N ATOM 836 CA VAL A 527 13.214 14.887 13.750 1.00 0.00 C ATOM 837 C VAL A 527 14.553 14.506 14.406 1.00 0.00 C ATOM 838 O VAL A 527 15.421 13.933 13.737 1.00 0.00 O ATOM 839 CB VAL A 527 12.163 13.789 14.016 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.744 14.264 13.686 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.451 12.515 13.222 1.00 0.00 C ATOM 0 H VAL A 527 14.034 14.469 11.872 1.00 0.00 H new ATOM 0 HA VAL A 527 12.852 15.814 14.194 1.00 0.00 H new ATOM 0 HB VAL A 527 12.229 13.568 15.081 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.035 13.461 13.887 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.497 15.129 14.302 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.689 14.541 12.633 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.686 11.770 13.440 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.444 12.741 12.156 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.429 12.124 13.503 1.00 0.00 H new ATOM 851 N PRO A 528 14.751 14.809 15.700 1.00 0.00 N ATOM 852 CA PRO A 528 16.024 14.599 16.385 1.00 0.00 C ATOM 853 C PRO A 528 16.312 13.109 16.596 1.00 0.00 C ATOM 854 O PRO A 528 15.514 12.406 17.215 1.00 0.00 O ATOM 855 CB PRO A 528 15.865 15.348 17.714 1.00 0.00 C ATOM 856 CG PRO A 528 14.367 15.340 17.991 1.00 0.00 C ATOM 857 CD PRO A 528 13.786 15.448 16.587 1.00 0.00 C ATOM 0 HA PRO A 528 16.873 14.966 15.808 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.417 14.855 18.514 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.248 16.366 17.642 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.050 14.427 18.495 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.064 16.175 18.623 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.816 14.955 16.528 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.631 16.490 16.308 1.00 0.00 H new ATOM 865 N TYR A 529 17.481 12.619 16.171 1.00 0.00 N ATOM 866 CA TYR A 529 17.876 11.210 16.380 1.00 0.00 C ATOM 867 C TYR A 529 17.924 10.783 17.861 1.00 0.00 C ATOM 868 O TYR A 529 17.895 9.591 18.157 1.00 0.00 O ATOM 869 CB TYR A 529 19.214 10.892 15.693 1.00 0.00 C ATOM 870 CG TYR A 529 20.467 11.137 16.539 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.668 12.379 17.158 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.403 10.103 16.753 1.00 0.00 C ATOM 873 CE1 TYR A 529 21.776 12.624 17.990 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.511 10.327 17.593 1.00 0.00 C ATOM 875 CZ TYR A 529 22.700 11.578 18.220 1.00 0.00 C ATOM 876 OH TYR A 529 23.757 11.766 19.055 1.00 0.00 O ATOM 0 H TYR A 529 18.178 13.176 15.677 1.00 0.00 H new ATOM 0 HA TYR A 529 17.084 10.623 15.915 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.204 9.847 15.385 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.287 11.491 14.785 1.00 0.00 H new ATOM 0 HD1 TYR A 529 19.952 13.170 16.991 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.270 9.144 16.275 1.00 0.00 H new ATOM 0 HE1 TYR A 529 21.918 13.593 18.445 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.224 9.533 17.759 1.00 0.00 H new ATOM 0 HH TYR A 529 24.289 10.944 19.099 1.00 0.00 H new ATOM 886 N ASN A 530 17.977 11.741 18.797 1.00 0.00 N ATOM 887 CA ASN A 530 18.010 11.475 20.234 1.00 0.00 C ATOM 888 C ASN A 530 16.740 10.755 20.722 1.00 0.00 C ATOM 889 O ASN A 530 16.821 9.804 21.503 1.00 0.00 O ATOM 890 CB ASN A 530 18.207 12.819 20.951 1.00 0.00 C ATOM 891 CG ASN A 530 18.540 12.643 22.425 1.00 0.00 C ATOM 892 OD1 ASN A 530 17.764 12.149 23.228 1.00 0.00 O ATOM 893 ND2 ASN A 530 19.713 13.064 22.828 1.00 0.00 N ATOM 0 H ASN A 530 17.998 12.735 18.569 1.00 0.00 H new ATOM 0 HA ASN A 530 18.835 10.800 20.462 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.008 13.374 20.463 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.300 13.416 20.854 1.00 0.00 H new ATOM 0 HD21 ASN A 530 19.976 12.979 23.810 1.00 0.00 H new ATOM 0 HD22 ASN A 530 20.364 13.477 22.160 1.00 0.00 H new ATOM 900 N ILE A 531 15.571 11.182 20.223 1.00 0.00 N ATOM 901 CA ILE A 531 14.279 10.575 20.584 1.00 0.00 C ATOM 902 C ILE A 531 13.999 9.318 19.753 1.00 0.00 C ATOM 903 O ILE A 531 13.058 8.595 20.064 1.00 0.00 O ATOM 904 CB ILE A 531 13.108 11.592 20.525 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.598 11.842 19.087 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.523 12.904 21.223 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.474 12.879 18.964 1.00 0.00 C ATOM 0 H ILE A 531 15.493 11.954 19.561 1.00 0.00 H new ATOM 0 HA ILE A 531 14.354 10.263 21.626 1.00 0.00 H new ATOM 0 HB ILE A 531 12.264 11.158 21.060 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.438 12.165 18.472 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.245 10.897 18.674 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.699 13.616 21.180 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.771 12.699 22.264 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.393 13.325 20.719 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.187 12.982 17.918 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.612 12.552 19.546 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.823 13.840 19.341 1.00 0.00 H new ATOM 919 N LEU A 532 14.790 9.041 18.712 1.00 0.00 N ATOM 920 CA LEU A 532 14.619 7.871 17.853 1.00 0.00 C ATOM 921 C LEU A 532 15.470 6.705 18.370 1.00 0.00 C ATOM 922 O LEU A 532 16.698 6.808 18.454 1.00 0.00 O ATOM 923 CB LEU A 532 15.028 8.232 16.415 1.00 0.00 C ATOM 924 CG LEU A 532 14.253 9.399 15.784 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.764 9.611 14.355 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.740 9.177 15.780 1.00 0.00 C ATOM 0 H LEU A 532 15.576 9.632 18.441 1.00 0.00 H new ATOM 0 HA LEU A 532 13.573 7.565 17.864 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.090 8.477 16.408 1.00 0.00 H new ATOM 0 HB3 LEU A 532 14.900 7.351 15.787 1.00 0.00 H new ATOM 0 HG LEU A 532 14.429 10.287 16.392 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.223 10.437 13.894 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.829 9.844 14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.605 8.703 13.773 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.248 10.035 15.322 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.506 8.277 15.211 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.387 9.060 16.805 1.00 0.00 H new ATOM 938 N THR A 533 14.834 5.577 18.679 1.00 0.00 N ATOM 939 CA THR A 533 15.524 4.345 19.100 1.00 0.00 C ATOM 940 C THR A 533 15.390 3.254 18.024 1.00 0.00 C ATOM 941 O THR A 533 14.319 3.135 17.414 1.00 0.00 O ATOM 942 CB THR A 533 15.043 3.889 20.493 1.00 0.00 C ATOM 943 OG1 THR A 533 15.718 2.725 20.912 1.00 0.00 O ATOM 944 CG2 THR A 533 13.558 3.560 20.559 1.00 0.00 C ATOM 0 H THR A 533 13.819 5.485 18.646 1.00 0.00 H new ATOM 0 HA THR A 533 16.589 4.552 19.201 1.00 0.00 H new ATOM 0 HB THR A 533 15.254 4.743 21.136 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.394 2.460 21.798 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.299 3.248 21.571 1.00 0.00 H new ATOM 0 HG22 THR A 533 12.977 4.443 20.292 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.333 2.753 19.862 1.00 0.00 H new ATOM 952 N PRO A 534 16.449 2.468 17.741 1.00 0.00 N ATOM 953 CA PRO A 534 16.431 1.411 16.730 1.00 0.00 C ATOM 954 C PRO A 534 15.477 0.279 17.139 1.00 0.00 C ATOM 955 O PRO A 534 15.764 -0.503 18.053 1.00 0.00 O ATOM 956 CB PRO A 534 17.887 0.948 16.589 1.00 0.00 C ATOM 957 CG PRO A 534 18.498 1.262 17.953 1.00 0.00 C ATOM 958 CD PRO A 534 17.762 2.531 18.372 1.00 0.00 C ATOM 0 HA PRO A 534 16.054 1.762 15.770 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.949 -0.115 16.357 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.401 1.479 15.788 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.340 0.450 18.663 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.574 1.422 17.886 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.670 2.587 19.457 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.305 3.420 18.052 1.00 0.00 H new