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 Set 1.1: A 493 ASN : amide:sc= 0.571 K(o=1.2,f=-0.2) USER MOD Set 1.2: A 495 SER OG : rot 180:sc= 0.582 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= -0.0428 K(o=-0.043,f=-3.4!) 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 494 SER OG : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 33:sc= 0.00396 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0.997 K(o=1,f=0) USER MOD Single : A 511 SER OG : rot -107:sc= 1.25 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= 1.15 K(o=1.2,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 K(o=0,f=-0.74) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.189 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.577 2.207 7.715 1.00 0.00 N ATOM 75 CA LYS A 481 14.033 1.242 8.697 1.00 0.00 C ATOM 76 C LYS A 481 13.105 1.927 9.703 1.00 0.00 C ATOM 77 O LYS A 481 12.956 3.153 9.700 1.00 0.00 O ATOM 78 CB LYS A 481 15.194 0.502 9.416 1.00 0.00 C ATOM 79 CG LYS A 481 14.821 -0.937 9.831 1.00 0.00 C ATOM 80 CD LYS A 481 16.027 -1.888 9.845 1.00 0.00 C ATOM 81 CE LYS A 481 17.102 -1.482 10.861 1.00 0.00 C ATOM 82 NZ LYS A 481 18.284 -2.382 10.784 1.00 0.00 N ATOM 0 HA LYS A 481 13.434 0.508 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.062 0.472 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.485 1.067 10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 481 14.369 -0.918 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.068 -1.324 9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.684 -2.897 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.470 -1.918 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 481 17.412 -0.454 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 481 16.684 -1.512 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 18.994 -2.083 11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 17.990 -3.359 10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 18.695 -2.334 9.830 1.00 0.00 H new ATOM 96 N TRP A 482 12.478 1.124 10.557 1.00 0.00 N ATOM 97 CA TRP A 482 11.559 1.579 11.598 1.00 0.00 C ATOM 98 C TRP A 482 12.308 2.012 12.866 1.00 0.00 C ATOM 99 O TRP A 482 13.285 1.380 13.279 1.00 0.00 O ATOM 100 CB TRP A 482 10.559 0.459 11.936 1.00 0.00 C ATOM 101 CG TRP A 482 10.189 -0.483 10.827 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.247 -1.832 10.895 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.765 -0.170 9.464 1.00 0.00 C ATOM 104 NE1 TRP A 482 9.903 -2.375 9.671 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.624 -1.395 8.742 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.521 1.028 8.758 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.277 -1.430 7.384 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.195 1.001 7.388 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.071 -0.220 6.700 1.00 0.00 C ATOM 0 H TRP A 482 12.598 0.111 10.545 1.00 0.00 H new ATOM 0 HA TRP A 482 11.023 2.448 11.216 1.00 0.00 H new ATOM 0 HB2 TRP A 482 10.973 -0.129 12.755 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.644 0.922 12.306 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.521 -2.399 11.772 1.00 0.00 H new ATOM 0 HE1 TRP A 482 9.861 -3.376 9.479 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.585 1.975 9.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.170 -2.374 6.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.038 1.929 6.859 1.00 0.00 H new ATOM 0 HH2 TRP A 482 8.818 -0.227 5.650 1.00 0.00 H new ATOM 120 N VAL A 483 11.797 3.052 13.525 1.00 0.00 N ATOM 121 CA VAL A 483 12.283 3.544 14.824 1.00 0.00 C ATOM 122 C VAL A 483 11.113 3.942 15.715 1.00 0.00 C ATOM 123 O VAL A 483 10.136 4.522 15.243 1.00 0.00 O ATOM 124 CB VAL A 483 13.237 4.747 14.682 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.588 4.342 14.086 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.643 5.877 13.833 1.00 0.00 C ATOM 0 H VAL A 483 11.012 3.594 13.164 1.00 0.00 H new ATOM 0 HA VAL A 483 12.840 2.723 15.277 1.00 0.00 H new ATOM 0 HB VAL A 483 13.385 5.114 15.698 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.228 5.221 14.004 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.065 3.605 14.732 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.435 3.911 13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.358 6.697 13.767 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.425 5.504 12.832 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.723 6.234 14.295 1.00 0.00 H new ATOM 136 N LEU A 484 11.222 3.641 17.006 1.00 0.00 N ATOM 137 CA LEU A 484 10.272 4.061 18.037 1.00 0.00 C ATOM 138 C LEU A 484 10.692 5.423 18.608 1.00 0.00 C ATOM 139 O LEU A 484 11.882 5.719 18.739 1.00 0.00 O ATOM 140 CB LEU A 484 10.216 2.953 19.106 1.00 0.00 C ATOM 141 CG LEU A 484 9.453 3.293 20.399 1.00 0.00 C ATOM 142 CD1 LEU A 484 7.962 3.501 20.129 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.629 2.191 21.441 1.00 0.00 C ATOM 0 H LEU A 484 11.992 3.084 17.376 1.00 0.00 H new ATOM 0 HA LEU A 484 9.270 4.196 17.629 1.00 0.00 H new ATOM 0 HB2 LEU A 484 9.758 2.070 18.660 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.238 2.682 19.372 1.00 0.00 H new ATOM 0 HG LEU A 484 9.872 4.223 20.784 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.453 3.739 21.063 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.831 4.322 19.424 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.538 2.590 19.707 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.081 2.454 22.345 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.245 1.251 21.045 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.687 2.080 21.678 1.00 0.00 H new ATOM 155 N CYS A 485 9.704 6.233 18.979 1.00 0.00 N ATOM 156 CA CYS A 485 9.885 7.491 19.689 1.00 0.00 C ATOM 157 C CYS A 485 9.992 7.266 21.210 1.00 0.00 C ATOM 158 O CYS A 485 9.020 6.873 21.859 1.00 0.00 O ATOM 159 CB CYS A 485 8.724 8.419 19.308 1.00 0.00 C ATOM 160 SG CYS A 485 9.174 9.325 17.800 1.00 0.00 S ATOM 0 H CYS A 485 8.725 6.023 18.786 1.00 0.00 H new ATOM 0 HA CYS A 485 10.825 7.960 19.398 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.815 7.840 19.144 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.515 9.116 20.120 1.00 0.00 H new ATOM 0 HG CYS A 485 8.098 9.775 17.227 1.00 0.00 H new ATOM 166 N ASN A 486 11.167 7.537 21.783 1.00 0.00 N ATOM 167 CA ASN A 486 11.433 7.548 23.226 1.00 0.00 C ATOM 168 C ASN A 486 10.703 8.688 23.972 1.00 0.00 C ATOM 169 O ASN A 486 10.314 8.518 25.129 1.00 0.00 O ATOM 170 CB ASN A 486 12.949 7.712 23.444 1.00 0.00 C ATOM 171 CG ASN A 486 13.779 6.581 22.870 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.555 6.754 21.942 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.647 5.391 23.407 1.00 0.00 N ATOM 0 H ASN A 486 11.995 7.765 21.232 1.00 0.00 H new ATOM 0 HA ASN A 486 11.061 6.607 23.630 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.271 8.651 22.993 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.146 7.788 24.513 1.00 0.00 H new ATOM 0 HD21 ASN A 486 14.193 4.607 23.050 1.00 0.00 H new ATOM 0 HD22 ASN A 486 12.998 5.250 24.181 1.00 0.00 H new ATOM 180 N TYR A 487 10.522 9.839 23.308 1.00 0.00 N ATOM 181 CA TYR A 487 9.981 11.085 23.874 1.00 0.00 C ATOM 182 C TYR A 487 9.092 11.817 22.852 1.00 0.00 C ATOM 183 O TYR A 487 9.165 11.575 21.646 1.00 0.00 O ATOM 184 CB TYR A 487 11.125 12.009 24.331 1.00 0.00 C ATOM 185 CG TYR A 487 12.165 11.367 25.236 1.00 0.00 C ATOM 186 CD1 TYR A 487 11.902 11.190 26.609 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.391 10.931 24.699 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.860 10.569 27.438 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.350 10.311 25.518 1.00 0.00 C ATOM 190 CZ TYR A 487 14.086 10.125 26.893 1.00 0.00 C ATOM 191 OH TYR A 487 15.013 9.517 27.682 1.00 0.00 O ATOM 0 H TYR A 487 10.758 9.932 22.320 1.00 0.00 H new ATOM 0 HA TYR A 487 9.369 10.822 24.737 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.629 12.398 23.447 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.692 12.863 24.853 1.00 0.00 H new ATOM 0 HD1 TYR A 487 10.966 11.530 27.027 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.596 11.074 23.648 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.656 10.433 28.490 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.287 9.977 25.097 1.00 0.00 H new ATOM 0 HH TYR A 487 15.795 9.276 27.142 1.00 0.00 H new ATOM 201 N ASP A 488 8.244 12.719 23.345 1.00 0.00 N ATOM 202 CA ASP A 488 7.414 13.618 22.535 1.00 0.00 C ATOM 203 C ASP A 488 8.232 14.781 21.931 1.00 0.00 C ATOM 204 O ASP A 488 9.266 15.184 22.476 1.00 0.00 O ATOM 205 CB ASP A 488 6.306 14.202 23.422 1.00 0.00 C ATOM 206 CG ASP A 488 5.491 13.131 24.154 1.00 0.00 C ATOM 207 OD1 ASP A 488 4.650 12.469 23.505 1.00 0.00 O ATOM 208 OD2 ASP A 488 5.710 12.935 25.376 1.00 0.00 O ATOM 0 H ASP A 488 8.110 12.850 24.348 1.00 0.00 H new ATOM 0 HA ASP A 488 6.998 13.038 21.711 1.00 0.00 H new ATOM 0 HB2 ASP A 488 6.753 14.874 24.155 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.636 14.802 22.807 1.00 0.00 H new ATOM 213 N PHE A 489 7.738 15.361 20.832 1.00 0.00 N ATOM 214 CA PHE A 489 8.349 16.492 20.120 1.00 0.00 C ATOM 215 C PHE A 489 7.315 17.274 19.279 1.00 0.00 C ATOM 216 O PHE A 489 6.298 16.725 18.848 1.00 0.00 O ATOM 217 CB PHE A 489 9.477 15.930 19.239 1.00 0.00 C ATOM 218 CG PHE A 489 10.221 16.946 18.395 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.885 18.031 19.004 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.208 16.831 16.991 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.500 19.016 18.209 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.836 17.805 16.199 1.00 0.00 C ATOM 223 CZ PHE A 489 11.475 18.897 16.809 1.00 0.00 C ATOM 0 H PHE A 489 6.871 15.046 20.397 1.00 0.00 H new ATOM 0 HA PHE A 489 8.748 17.207 20.839 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.196 15.423 19.882 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.054 15.175 18.576 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.922 18.106 20.081 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.714 15.992 16.523 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.989 19.860 18.673 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.828 17.715 15.123 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.950 19.650 16.198 1.00 0.00 H new ATOM 233 N GLN A 490 7.578 18.557 19.010 1.00 0.00 N ATOM 234 CA GLN A 490 6.675 19.479 18.303 1.00 0.00 C ATOM 235 C GLN A 490 7.381 20.148 17.113 1.00 0.00 C ATOM 236 O GLN A 490 8.550 20.521 17.213 1.00 0.00 O ATOM 237 CB GLN A 490 6.122 20.511 19.308 1.00 0.00 C ATOM 238 CG GLN A 490 7.159 21.549 19.788 1.00 0.00 C ATOM 239 CD GLN A 490 6.652 22.472 20.898 1.00 0.00 C ATOM 240 OE1 GLN A 490 5.792 22.136 21.706 1.00 0.00 O ATOM 241 NE2 GLN A 490 7.172 23.680 20.993 1.00 0.00 N ATOM 0 H GLN A 490 8.454 19.000 19.287 1.00 0.00 H new ATOM 0 HA GLN A 490 5.838 18.920 17.884 1.00 0.00 H new ATOM 0 HB2 GLN A 490 5.285 21.037 18.848 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.727 19.981 20.175 1.00 0.00 H new ATOM 0 HG2 GLN A 490 8.045 21.023 20.144 1.00 0.00 H new ATOM 0 HG3 GLN A 490 7.469 22.157 18.938 1.00 0.00 H new ATOM 0 HE21 GLN A 490 7.888 23.980 20.332 1.00 0.00 H new ATOM 0 HE22 GLN A 490 6.858 24.314 21.728 1.00 0.00 H new ATOM 250 N ALA A 491 6.669 20.331 15.996 1.00 0.00 N ATOM 251 CA ALA A 491 7.233 20.952 14.799 1.00 0.00 C ATOM 252 C ALA A 491 7.239 22.483 14.933 1.00 0.00 C ATOM 253 O ALA A 491 6.204 23.144 14.803 1.00 0.00 O ATOM 254 CB ALA A 491 6.472 20.509 13.546 1.00 0.00 C ATOM 0 H ALA A 491 5.692 20.054 15.899 1.00 0.00 H new ATOM 0 HA ALA A 491 8.266 20.620 14.696 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.909 20.984 12.668 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.538 19.426 13.444 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.426 20.802 13.633 1.00 0.00 H new ATOM 260 N ARG A 492 8.415 23.052 15.196 1.00 0.00 N ATOM 261 CA ARG A 492 8.644 24.503 15.250 1.00 0.00 C ATOM 262 C ARG A 492 8.625 25.156 13.857 1.00 0.00 C ATOM 263 O ARG A 492 8.407 26.366 13.753 1.00 0.00 O ATOM 264 CB ARG A 492 9.982 24.754 15.967 1.00 0.00 C ATOM 265 CG ARG A 492 9.981 24.266 17.436 1.00 0.00 C ATOM 266 CD ARG A 492 11.223 23.455 17.836 1.00 0.00 C ATOM 267 NE ARG A 492 12.487 24.109 17.441 1.00 0.00 N ATOM 268 CZ ARG A 492 13.121 25.089 18.058 1.00 0.00 C ATOM 269 NH1 ARG A 492 12.711 25.588 19.192 1.00 0.00 N ATOM 270 NH2 ARG A 492 14.199 25.600 17.534 1.00 0.00 N ATOM 0 H ARG A 492 9.257 22.508 15.382 1.00 0.00 H new ATOM 0 HA ARG A 492 7.828 24.968 15.804 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.780 24.249 15.423 1.00 0.00 H new ATOM 0 HB3 ARG A 492 10.206 25.821 15.944 1.00 0.00 H new ATOM 0 HG2 ARG A 492 9.900 25.132 18.094 1.00 0.00 H new ATOM 0 HG3 ARG A 492 9.094 23.655 17.603 1.00 0.00 H new ATOM 0 HD2 ARG A 492 11.220 23.303 18.915 1.00 0.00 H new ATOM 0 HD3 ARG A 492 11.171 22.468 17.375 1.00 0.00 H new ATOM 0 HE ARG A 492 12.923 23.761 16.587 1.00 0.00 H new ATOM 0 HH11 ARG A 492 11.870 25.221 19.636 1.00 0.00 H new ATOM 0 HH12 ARG A 492 13.232 26.345 19.634 1.00 0.00 H new ATOM 0 HH21 ARG A 492 14.553 25.243 16.647 1.00 0.00 H new ATOM 0 HH22 ARG A 492 14.688 26.357 18.011 1.00 0.00 H new ATOM 284 N ASN A 493 8.831 24.364 12.794 1.00 0.00 N ATOM 285 CA ASN A 493 8.912 24.817 11.393 1.00 0.00 C ATOM 286 C ASN A 493 8.589 23.681 10.392 1.00 0.00 C ATOM 287 O ASN A 493 8.561 22.510 10.765 1.00 0.00 O ATOM 288 CB ASN A 493 10.300 25.461 11.110 1.00 0.00 C ATOM 289 CG ASN A 493 11.416 25.090 12.081 1.00 0.00 C ATOM 290 OD1 ASN A 493 11.604 25.707 13.122 1.00 0.00 O ATOM 291 ND2 ASN A 493 12.188 24.075 11.790 1.00 0.00 N ATOM 0 H ASN A 493 8.950 23.355 12.887 1.00 0.00 H new ATOM 0 HA ASN A 493 8.148 25.580 11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.611 25.180 10.104 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.184 26.545 11.116 1.00 0.00 H new ATOM 0 HD21 ASN A 493 12.937 23.805 12.427 1.00 0.00 H new ATOM 0 HD22 ASN A 493 12.041 23.554 10.926 1.00 0.00 H new ATOM 298 N SER A 494 8.369 24.011 9.110 1.00 0.00 N ATOM 299 CA SER A 494 7.986 23.032 8.065 1.00 0.00 C ATOM 300 C SER A 494 9.059 21.982 7.751 1.00 0.00 C ATOM 301 O SER A 494 8.736 20.917 7.221 1.00 0.00 O ATOM 302 CB SER A 494 7.660 23.736 6.743 1.00 0.00 C ATOM 303 OG SER A 494 6.782 22.958 5.943 1.00 0.00 O ATOM 0 H SER A 494 8.450 24.966 8.762 1.00 0.00 H new ATOM 0 HA SER A 494 7.118 22.525 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 494 7.205 24.705 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 494 8.582 23.927 6.194 1.00 0.00 H new ATOM 0 HG SER A 494 6.592 23.434 5.108 1.00 0.00 H new ATOM 309 N SER A 495 10.331 22.276 8.045 1.00 0.00 N ATOM 310 CA SER A 495 11.424 21.301 7.927 1.00 0.00 C ATOM 311 C SER A 495 11.257 20.105 8.861 1.00 0.00 C ATOM 312 O SER A 495 11.738 19.020 8.558 1.00 0.00 O ATOM 313 CB SER A 495 12.777 21.967 8.181 1.00 0.00 C ATOM 314 OG SER A 495 12.849 22.499 9.488 1.00 0.00 O ATOM 0 H SER A 495 10.632 23.194 8.371 1.00 0.00 H new ATOM 0 HA SER A 495 11.386 20.925 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.576 21.239 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.936 22.762 7.453 1.00 0.00 H new ATOM 0 HG SER A 495 13.725 22.917 9.623 1.00 0.00 H new ATOM 320 N GLU A 496 10.535 20.274 9.964 1.00 0.00 N ATOM 321 CA GLU A 496 10.352 19.279 11.017 1.00 0.00 C ATOM 322 C GLU A 496 8.884 18.842 11.166 1.00 0.00 C ATOM 323 O GLU A 496 8.000 19.255 10.410 1.00 0.00 O ATOM 324 CB GLU A 496 10.994 19.772 12.329 1.00 0.00 C ATOM 325 CG GLU A 496 10.589 21.187 12.725 1.00 0.00 C ATOM 326 CD GLU A 496 11.392 21.656 13.949 1.00 0.00 C ATOM 327 OE1 GLU A 496 12.563 22.091 13.805 1.00 0.00 O ATOM 328 OE2 GLU A 496 10.817 21.623 15.056 1.00 0.00 O ATOM 0 H GLU A 496 10.040 21.145 10.157 1.00 0.00 H new ATOM 0 HA GLU A 496 10.876 18.368 10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.722 19.089 13.134 1.00 0.00 H new ATOM 0 HB3 GLU A 496 12.079 19.730 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.758 21.867 11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.523 21.217 12.949 1.00 0.00 H new ATOM 335 N LEU A 497 8.641 17.943 12.120 1.00 0.00 N ATOM 336 CA LEU A 497 7.358 17.274 12.347 1.00 0.00 C ATOM 337 C LEU A 497 7.090 17.052 13.839 1.00 0.00 C ATOM 338 O LEU A 497 8.010 16.943 14.650 1.00 0.00 O ATOM 339 CB LEU A 497 7.339 15.901 11.641 1.00 0.00 C ATOM 340 CG LEU A 497 7.297 15.916 10.105 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.512 14.487 9.609 1.00 0.00 C ATOM 342 CD2 LEU A 497 5.962 16.417 9.548 1.00 0.00 C ATOM 0 H LEU A 497 9.359 17.649 12.782 1.00 0.00 H new ATOM 0 HA LEU A 497 6.583 17.924 11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.224 15.346 11.952 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.472 15.346 12.000 1.00 0.00 H new ATOM 0 HG LEU A 497 8.075 16.598 9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.486 14.472 8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.480 14.124 9.954 1.00 0.00 H new ATOM 0 HD13 LEU A 497 6.723 13.844 9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 497 5.995 16.404 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.157 15.769 9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.783 17.435 9.894 1.00 0.00 H new ATOM 354 N SER A 498 5.806 16.961 14.181 1.00 0.00 N ATOM 355 CA SER A 498 5.321 16.701 15.534 1.00 0.00 C ATOM 356 C SER A 498 5.077 15.202 15.715 1.00 0.00 C ATOM 357 O SER A 498 4.395 14.558 14.910 1.00 0.00 O ATOM 358 CB SER A 498 4.053 17.524 15.806 1.00 0.00 C ATOM 359 OG SER A 498 3.044 17.314 14.828 1.00 0.00 O ATOM 0 H SER A 498 5.052 17.070 13.503 1.00 0.00 H new ATOM 0 HA SER A 498 6.073 17.008 16.261 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.660 17.265 16.789 1.00 0.00 H new ATOM 0 HB3 SER A 498 4.311 18.583 15.835 1.00 0.00 H new ATOM 0 HG SER A 498 3.085 16.388 14.510 1.00 0.00 H new ATOM 365 N VAL A 499 5.670 14.632 16.766 1.00 0.00 N ATOM 366 CA VAL A 499 5.616 13.193 17.074 1.00 0.00 C ATOM 367 C VAL A 499 5.483 12.984 18.582 1.00 0.00 C ATOM 368 O VAL A 499 5.770 13.878 19.381 1.00 0.00 O ATOM 369 CB VAL A 499 6.835 12.425 16.502 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.967 12.603 14.981 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.175 12.824 17.128 1.00 0.00 C ATOM 0 H VAL A 499 6.214 15.166 17.444 1.00 0.00 H new ATOM 0 HA VAL A 499 4.734 12.780 16.584 1.00 0.00 H new ATOM 0 HB VAL A 499 6.627 11.385 16.755 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.834 12.048 14.624 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.069 12.227 14.491 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.092 13.660 14.748 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.977 12.242 16.674 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.355 13.885 16.956 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.148 12.630 18.200 1.00 0.00 H new ATOM 381 N LYS A 500 5.047 11.795 18.993 1.00 0.00 N ATOM 382 CA LYS A 500 4.760 11.462 20.392 1.00 0.00 C ATOM 383 C LYS A 500 5.511 10.198 20.781 1.00 0.00 C ATOM 384 O LYS A 500 5.750 9.330 19.939 1.00 0.00 O ATOM 385 CB LYS A 500 3.242 11.317 20.601 1.00 0.00 C ATOM 386 CG LYS A 500 2.490 12.630 20.311 1.00 0.00 C ATOM 387 CD LYS A 500 0.982 12.486 20.562 1.00 0.00 C ATOM 388 CE LYS A 500 0.200 13.712 20.065 1.00 0.00 C ATOM 389 NZ LYS A 500 0.453 14.928 20.885 1.00 0.00 N ATOM 0 H LYS A 500 4.879 11.019 18.353 1.00 0.00 H new ATOM 0 HA LYS A 500 5.102 12.268 21.041 1.00 0.00 H new ATOM 0 HB2 LYS A 500 2.860 10.530 19.951 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.046 11.006 21.627 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.890 13.425 20.940 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.660 12.926 19.276 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.614 11.592 20.059 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.803 12.349 21.628 1.00 0.00 H new ATOM 0 HE2 LYS A 500 0.471 13.915 19.029 1.00 0.00 H new ATOM 0 HE3 LYS A 500 -0.866 13.487 20.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -0.099 15.724 20.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 0.170 14.748 21.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 1.466 15.163 20.854 1.00 0.00 H new ATOM 403 N GLN A 501 5.902 10.083 22.048 1.00 0.00 N ATOM 404 CA GLN A 501 6.487 8.835 22.546 1.00 0.00 C ATOM 405 C GLN A 501 5.546 7.637 22.340 1.00 0.00 C ATOM 406 O GLN A 501 4.320 7.787 22.311 1.00 0.00 O ATOM 407 CB GLN A 501 6.955 8.954 24.002 1.00 0.00 C ATOM 408 CG GLN A 501 5.875 9.429 24.979 1.00 0.00 C ATOM 409 CD GLN A 501 6.383 9.508 26.416 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.676 8.508 27.061 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.497 10.695 26.973 1.00 0.00 N ATOM 0 H GLN A 501 5.827 10.826 22.742 1.00 0.00 H new ATOM 0 HA GLN A 501 7.378 8.646 21.947 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.324 7.983 24.332 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.796 9.646 24.045 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.515 10.410 24.669 1.00 0.00 H new ATOM 0 HG3 GLN A 501 5.024 8.749 24.934 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.255 11.532 26.443 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.827 10.778 27.935 1.00 0.00 H new ATOM 420 N ARG A 502 6.145 6.444 22.219 1.00 0.00 N ATOM 421 CA ARG A 502 5.467 5.154 21.979 1.00 0.00 C ATOM 422 C ARG A 502 4.871 5.007 20.562 1.00 0.00 C ATOM 423 O ARG A 502 4.057 4.110 20.328 1.00 0.00 O ATOM 424 CB ARG A 502 4.441 4.829 23.091 1.00 0.00 C ATOM 425 CG ARG A 502 4.921 5.057 24.539 1.00 0.00 C ATOM 426 CD ARG A 502 6.141 4.216 24.939 1.00 0.00 C ATOM 427 NE ARG A 502 5.852 2.769 24.873 1.00 0.00 N ATOM 428 CZ ARG A 502 6.704 1.780 25.080 1.00 0.00 C ATOM 429 NH1 ARG A 502 7.950 1.992 25.404 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.312 0.544 24.963 1.00 0.00 N ATOM 0 H ARG A 502 7.158 6.343 22.288 1.00 0.00 H new ATOM 0 HA ARG A 502 6.251 4.399 22.028 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.550 5.435 22.925 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.141 3.786 22.988 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.164 6.112 24.667 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.101 4.833 25.221 1.00 0.00 H new ATOM 0 HD2 ARG A 502 6.977 4.451 24.280 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.449 4.480 25.951 1.00 0.00 H new ATOM 0 HE ARG A 502 4.894 2.505 24.643 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.295 2.946 25.505 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.579 1.203 25.556 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.345 0.337 24.711 1.00 0.00 H new ATOM 0 HH22 ARG A 502 6.971 -0.218 25.123 1.00 0.00 H new ATOM 444 N ASP A 503 5.305 5.842 19.613 1.00 0.00 N ATOM 445 CA ASP A 503 4.936 5.766 18.186 1.00 0.00 C ATOM 446 C ASP A 503 6.125 5.285 17.338 1.00 0.00 C ATOM 447 O ASP A 503 7.275 5.578 17.668 1.00 0.00 O ATOM 448 CB ASP A 503 4.486 7.146 17.668 1.00 0.00 C ATOM 449 CG ASP A 503 3.090 7.598 18.141 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.314 6.794 18.714 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.726 8.768 17.864 1.00 0.00 O ATOM 0 H ASP A 503 5.941 6.613 19.816 1.00 0.00 H new ATOM 0 HA ASP A 503 4.115 5.054 18.097 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.218 7.891 17.981 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.495 7.129 16.578 1.00 0.00 H new ATOM 456 N VAL A 504 5.856 4.596 16.222 1.00 0.00 N ATOM 457 CA VAL A 504 6.881 4.086 15.288 1.00 0.00 C ATOM 458 C VAL A 504 6.817 4.847 13.957 1.00 0.00 C ATOM 459 O VAL A 504 5.727 5.092 13.432 1.00 0.00 O ATOM 460 CB VAL A 504 6.737 2.565 15.062 1.00 0.00 C ATOM 461 CG1 VAL A 504 7.796 2.007 14.098 1.00 0.00 C ATOM 462 CG2 VAL A 504 6.879 1.785 16.378 1.00 0.00 C ATOM 0 H VAL A 504 4.904 4.371 15.933 1.00 0.00 H new ATOM 0 HA VAL A 504 7.859 4.256 15.738 1.00 0.00 H new ATOM 0 HB VAL A 504 5.743 2.435 14.635 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.647 0.934 13.976 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.702 2.499 13.130 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.791 2.192 14.504 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.772 0.718 16.182 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.860 1.978 16.811 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.105 2.105 17.076 1.00 0.00 H new ATOM 472 N LEU A 505 7.982 5.203 13.404 1.00 0.00 N ATOM 473 CA LEU A 505 8.147 6.026 12.195 1.00 0.00 C ATOM 474 C LEU A 505 9.133 5.369 11.216 1.00 0.00 C ATOM 475 O LEU A 505 10.047 4.648 11.624 1.00 0.00 O ATOM 476 CB LEU A 505 8.633 7.446 12.566 1.00 0.00 C ATOM 477 CG LEU A 505 7.853 8.144 13.701 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.577 9.416 14.126 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.436 8.552 13.288 1.00 0.00 C ATOM 0 H LEU A 505 8.876 4.914 13.802 1.00 0.00 H new ATOM 0 HA LEU A 505 7.176 6.104 11.706 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.683 7.387 12.854 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.581 8.072 11.675 1.00 0.00 H new ATOM 0 HG LEU A 505 7.792 7.419 14.512 1.00 0.00 H new ATOM 0 HD11 LEU A 505 8.020 9.902 14.927 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.577 9.165 14.480 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.653 10.093 13.275 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.938 9.037 14.127 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.487 9.244 12.447 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.873 7.666 12.995 1.00 0.00 H new ATOM 491 N GLU A 506 8.964 5.640 9.922 1.00 0.00 N ATOM 492 CA GLU A 506 9.861 5.190 8.849 1.00 0.00 C ATOM 493 C GLU A 506 10.938 6.249 8.574 1.00 0.00 C ATOM 494 O GLU A 506 10.612 7.364 8.162 1.00 0.00 O ATOM 495 CB GLU A 506 9.026 4.923 7.584 1.00 0.00 C ATOM 496 CG GLU A 506 9.889 4.559 6.364 1.00 0.00 C ATOM 497 CD GLU A 506 9.061 4.161 5.121 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.861 4.517 5.012 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.619 3.487 4.221 1.00 0.00 O ATOM 0 H GLU A 506 8.179 6.193 9.578 1.00 0.00 H new ATOM 0 HA GLU A 506 10.365 4.272 9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.325 4.112 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.433 5.808 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.524 5.408 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.551 3.734 6.630 1.00 0.00 H new ATOM 506 N VAL A 507 12.214 5.908 8.776 1.00 0.00 N ATOM 507 CA VAL A 507 13.365 6.767 8.437 1.00 0.00 C ATOM 508 C VAL A 507 13.766 6.560 6.969 1.00 0.00 C ATOM 509 O VAL A 507 13.706 5.448 6.437 1.00 0.00 O ATOM 510 CB VAL A 507 14.586 6.454 9.339 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.785 7.354 9.035 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.280 6.528 10.837 1.00 0.00 C ATOM 0 H VAL A 507 12.486 5.015 9.186 1.00 0.00 H new ATOM 0 HA VAL A 507 13.062 7.801 8.599 1.00 0.00 H new ATOM 0 HB VAL A 507 14.837 5.422 9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.612 7.093 9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 507 16.090 7.216 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.508 8.396 9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.182 6.297 11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.939 7.532 11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.501 5.807 11.085 1.00 0.00 H new ATOM 522 N LEU A 508 14.236 7.640 6.348 1.00 0.00 N ATOM 523 CA LEU A 508 14.608 7.791 4.941 1.00 0.00 C ATOM 524 C LEU A 508 16.067 8.283 4.772 1.00 0.00 C ATOM 525 O LEU A 508 16.665 8.070 3.715 1.00 0.00 O ATOM 526 CB LEU A 508 13.648 8.791 4.260 1.00 0.00 C ATOM 527 CG LEU A 508 12.142 8.635 4.562 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.364 9.755 3.877 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.570 7.305 4.076 1.00 0.00 C ATOM 0 H LEU A 508 14.379 8.509 6.862 1.00 0.00 H new ATOM 0 HA LEU A 508 14.533 6.810 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.948 9.798 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.787 8.713 3.182 1.00 0.00 H new ATOM 0 HG LEU A 508 12.039 8.675 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.301 9.643 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.710 10.719 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.524 9.704 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.508 7.256 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.701 7.225 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 508 12.092 6.483 4.566 1.00 0.00 H new ATOM 541 N ASP A 509 16.653 8.915 5.802 1.00 0.00 N ATOM 542 CA ASP A 509 18.071 9.324 5.852 1.00 0.00 C ATOM 543 C ASP A 509 18.582 9.343 7.300 1.00 0.00 C ATOM 544 O ASP A 509 17.873 9.792 8.198 1.00 0.00 O ATOM 545 CB ASP A 509 18.256 10.724 5.237 1.00 0.00 C ATOM 546 CG ASP A 509 19.678 11.272 5.462 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.663 10.669 4.970 1.00 0.00 O ATOM 548 OD2 ASP A 509 19.827 12.303 6.156 1.00 0.00 O ATOM 0 H ASP A 509 16.141 9.164 6.648 1.00 0.00 H new ATOM 0 HA ASP A 509 18.644 8.597 5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 509 18.050 10.680 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.530 11.410 5.673 1.00 0.00 H new ATOM 553 N ASP A 510 19.820 8.891 7.508 1.00 0.00 N ATOM 554 CA ASP A 510 20.450 8.680 8.819 1.00 0.00 C ATOM 555 C ASP A 510 21.954 9.043 8.815 1.00 0.00 C ATOM 556 O ASP A 510 22.797 8.357 9.406 1.00 0.00 O ATOM 557 CB ASP A 510 20.153 7.249 9.310 1.00 0.00 C ATOM 558 CG ASP A 510 20.403 6.147 8.260 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.475 6.126 7.607 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.523 5.267 8.090 1.00 0.00 O ATOM 0 H ASP A 510 20.441 8.651 6.735 1.00 0.00 H new ATOM 0 HA ASP A 510 20.011 9.369 9.541 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.768 7.044 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 510 19.113 7.197 9.632 1.00 0.00 H new ATOM 565 N SER A 511 22.301 10.142 8.133 1.00 0.00 N ATOM 566 CA SER A 511 23.683 10.548 7.831 1.00 0.00 C ATOM 567 C SER A 511 24.175 11.749 8.655 1.00 0.00 C ATOM 568 O SER A 511 25.350 12.126 8.585 1.00 0.00 O ATOM 569 CB SER A 511 23.793 10.842 6.332 1.00 0.00 C ATOM 570 OG SER A 511 22.901 11.854 5.899 1.00 0.00 O ATOM 0 H SER A 511 21.608 10.794 7.764 1.00 0.00 H new ATOM 0 HA SER A 511 24.333 9.720 8.113 1.00 0.00 H new ATOM 0 HB2 SER A 511 24.815 11.143 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.595 9.928 5.773 1.00 0.00 H new ATOM 0 HG SER A 511 22.171 11.449 5.386 1.00 0.00 H new ATOM 576 N ARG A 512 23.272 12.330 9.453 1.00 0.00 N ATOM 577 CA ARG A 512 23.447 13.540 10.279 1.00 0.00 C ATOM 578 C ARG A 512 22.668 13.458 11.612 1.00 0.00 C ATOM 579 O ARG A 512 22.037 12.439 11.904 1.00 0.00 O ATOM 580 CB ARG A 512 22.990 14.761 9.461 1.00 0.00 C ATOM 581 CG ARG A 512 23.744 15.015 8.148 1.00 0.00 C ATOM 582 CD ARG A 512 23.473 16.450 7.676 1.00 0.00 C ATOM 583 NE ARG A 512 23.798 16.639 6.250 1.00 0.00 N ATOM 584 CZ ARG A 512 22.959 16.531 5.232 1.00 0.00 C ATOM 585 NH1 ARG A 512 21.706 16.208 5.392 1.00 0.00 N ATOM 586 NH2 ARG A 512 23.370 16.757 4.017 1.00 0.00 N ATOM 0 H ARG A 512 22.333 11.944 9.548 1.00 0.00 H new ATOM 0 HA ARG A 512 24.501 13.631 10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.931 14.643 9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 512 23.083 15.648 10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.814 14.864 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.423 14.303 7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.424 16.693 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 512 24.061 17.145 8.276 1.00 0.00 H new ATOM 0 HE ARG A 512 24.764 16.876 6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.341 16.028 6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 512 21.091 16.135 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.341 17.018 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 512 22.721 16.673 3.235 1.00 0.00 H new ATOM 600 N LYS A 513 22.714 14.528 12.422 1.00 0.00 N ATOM 601 CA LYS A 513 22.043 14.652 13.737 1.00 0.00 C ATOM 602 C LYS A 513 20.513 14.519 13.683 1.00 0.00 C ATOM 603 O LYS A 513 19.909 14.040 14.640 1.00 0.00 O ATOM 604 CB LYS A 513 22.371 16.016 14.367 1.00 0.00 C ATOM 605 CG LYS A 513 23.845 16.295 14.688 1.00 0.00 C ATOM 606 CD LYS A 513 24.374 15.484 15.877 1.00 0.00 C ATOM 607 CE LYS A 513 25.769 15.984 16.272 1.00 0.00 C ATOM 608 NZ LYS A 513 26.364 15.152 17.353 1.00 0.00 N ATOM 0 H LYS A 513 23.239 15.366 12.174 1.00 0.00 H new ATOM 0 HA LYS A 513 22.425 13.822 14.331 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.017 16.795 13.692 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.799 16.110 15.290 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.449 16.072 13.808 1.00 0.00 H new ATOM 0 HG3 LYS A 513 23.968 17.357 14.899 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.693 15.576 16.723 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.418 14.427 15.616 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.422 15.969 15.399 1.00 0.00 H new ATOM 0 HE3 LYS A 513 25.704 17.020 16.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.307 15.519 17.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 25.753 15.187 18.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.449 14.168 17.027 1.00 0.00 H new ATOM 622 N TRP A 514 19.870 14.934 12.594 1.00 0.00 N ATOM 623 CA TRP A 514 18.420 14.816 12.416 1.00 0.00 C ATOM 624 C TRP A 514 18.121 13.889 11.243 1.00 0.00 C ATOM 625 O TRP A 514 18.709 14.018 10.165 1.00 0.00 O ATOM 626 CB TRP A 514 17.777 16.185 12.193 1.00 0.00 C ATOM 627 CG TRP A 514 17.787 17.128 13.360 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.871 17.616 14.005 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.639 17.743 14.013 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.475 18.427 15.050 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.103 18.526 15.112 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.252 17.732 13.770 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.226 19.211 15.960 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.362 18.445 14.586 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.845 19.175 15.691 1.00 0.00 C ATOM 0 H TRP A 514 20.343 15.366 11.801 1.00 0.00 H new ATOM 0 HA TRP A 514 17.993 14.394 13.326 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.286 16.669 11.359 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.742 16.030 11.889 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.896 17.403 13.741 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.116 18.892 15.693 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.866 17.162 12.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.604 19.760 16.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.304 18.435 14.367 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.156 19.706 16.331 1.00 0.00 H new ATOM 646 N TRP A 515 17.211 12.936 11.457 1.00 0.00 N ATOM 647 CA TRP A 515 16.886 11.923 10.453 1.00 0.00 C ATOM 648 C TRP A 515 15.608 12.314 9.720 1.00 0.00 C ATOM 649 O TRP A 515 14.651 12.806 10.330 1.00 0.00 O ATOM 650 CB TRP A 515 16.817 10.520 11.074 1.00 0.00 C ATOM 651 CG TRP A 515 18.085 9.992 11.690 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.287 10.613 11.776 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.302 8.669 12.255 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.214 9.776 12.366 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.660 8.555 12.678 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.481 7.539 12.414 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.171 7.378 13.246 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.977 6.353 12.985 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.318 6.271 13.406 1.00 0.00 C ATOM 0 H TRP A 515 16.683 12.846 12.325 1.00 0.00 H new ATOM 0 HA TRP A 515 17.687 11.880 9.715 1.00 0.00 H new ATOM 0 HB2 TRP A 515 16.042 10.525 11.841 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.497 9.821 10.301 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.490 11.617 11.433 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.185 10.030 12.547 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.451 7.582 12.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.204 7.323 13.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.325 5.500 13.101 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.691 5.360 13.851 1.00 0.00 H new ATOM 670 N LYS A 516 15.599 12.125 8.395 1.00 0.00 N ATOM 671 CA LYS A 516 14.434 12.387 7.565 1.00 0.00 C ATOM 672 C LYS A 516 13.491 11.216 7.741 1.00 0.00 C ATOM 673 O LYS A 516 13.799 10.132 7.268 1.00 0.00 O ATOM 674 CB LYS A 516 14.838 12.620 6.097 1.00 0.00 C ATOM 675 CG LYS A 516 13.626 13.015 5.240 1.00 0.00 C ATOM 676 CD LYS A 516 14.012 13.354 3.795 1.00 0.00 C ATOM 677 CE LYS A 516 12.742 13.569 2.959 1.00 0.00 C ATOM 678 NZ LYS A 516 13.052 13.984 1.566 1.00 0.00 N ATOM 0 H LYS A 516 16.407 11.784 7.873 1.00 0.00 H new ATOM 0 HA LYS A 516 13.930 13.305 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.593 13.404 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.291 11.714 5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.905 12.197 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.131 13.875 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.630 14.252 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.608 12.547 3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.160 12.647 2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.121 14.329 3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.166 14.118 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.585 14.877 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.623 13.248 1.103 1.00 0.00 H new ATOM 692 N VAL A 517 12.389 11.400 8.452 1.00 0.00 N ATOM 693 CA VAL A 517 11.369 10.359 8.669 1.00 0.00 C ATOM 694 C VAL A 517 10.004 10.781 8.108 1.00 0.00 C ATOM 695 O VAL A 517 9.843 11.907 7.626 1.00 0.00 O ATOM 696 CB VAL A 517 11.257 9.940 10.159 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.613 9.686 10.824 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.517 10.970 11.014 1.00 0.00 C ATOM 0 H VAL A 517 12.165 12.286 8.905 1.00 0.00 H new ATOM 0 HA VAL A 517 11.702 9.480 8.116 1.00 0.00 H new ATOM 0 HB VAL A 517 10.690 9.010 10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.460 9.397 11.864 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.132 8.885 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.214 10.595 10.785 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.471 10.621 12.046 1.00 0.00 H new ATOM 0 HG22 VAL A 517 11.047 11.922 10.976 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.505 11.102 10.630 1.00 0.00 H new ATOM 708 N ARG A 518 9.006 9.894 8.210 1.00 0.00 N ATOM 709 CA ARG A 518 7.606 10.151 7.823 1.00 0.00 C ATOM 710 C ARG A 518 6.642 9.778 8.949 1.00 0.00 C ATOM 711 O ARG A 518 6.823 8.751 9.608 1.00 0.00 O ATOM 712 CB ARG A 518 7.296 9.379 6.531 1.00 0.00 C ATOM 713 CG ARG A 518 5.995 9.836 5.855 1.00 0.00 C ATOM 714 CD ARG A 518 5.680 8.964 4.632 1.00 0.00 C ATOM 715 NE ARG A 518 5.219 9.769 3.485 1.00 0.00 N ATOM 716 CZ ARG A 518 4.885 9.316 2.291 1.00 0.00 C ATOM 717 NH1 ARG A 518 4.903 8.044 2.000 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.508 10.144 1.360 1.00 0.00 N ATOM 0 H ARG A 518 9.150 8.952 8.573 1.00 0.00 H new ATOM 0 HA ARG A 518 7.471 11.217 7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 518 8.124 9.503 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.227 8.315 6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.172 9.782 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 518 6.085 10.879 5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 518 6.570 8.403 4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 518 4.914 8.234 4.894 1.00 0.00 H new ATOM 0 HE ARG A 518 5.152 10.777 3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.182 7.363 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.638 7.731 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 518 4.470 11.145 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.250 9.792 0.438 1.00 0.00 H new ATOM 732 N ASP A 519 5.626 10.613 9.169 1.00 0.00 N ATOM 733 CA ASP A 519 4.558 10.334 10.135 1.00 0.00 C ATOM 734 C ASP A 519 3.615 9.192 9.660 1.00 0.00 C ATOM 735 O ASP A 519 3.654 8.794 8.488 1.00 0.00 O ATOM 736 CB ASP A 519 3.861 11.664 10.491 1.00 0.00 C ATOM 737 CG ASP A 519 2.663 12.071 9.616 1.00 0.00 C ATOM 738 OD1 ASP A 519 2.511 11.555 8.486 1.00 0.00 O ATOM 739 OD2 ASP A 519 1.875 12.938 10.064 1.00 0.00 O ATOM 0 H ASP A 519 5.518 11.503 8.683 1.00 0.00 H new ATOM 0 HA ASP A 519 4.974 9.933 11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.522 11.605 11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 519 4.603 12.461 10.444 1.00 0.00 H new ATOM 744 N PRO A 520 2.757 8.636 10.538 1.00 0.00 N ATOM 745 CA PRO A 520 1.835 7.542 10.205 1.00 0.00 C ATOM 746 C PRO A 520 0.603 7.981 9.372 1.00 0.00 C ATOM 747 O PRO A 520 -0.455 7.347 9.445 1.00 0.00 O ATOM 748 CB PRO A 520 1.488 6.903 11.558 1.00 0.00 C ATOM 749 CG PRO A 520 1.576 8.072 12.533 1.00 0.00 C ATOM 750 CD PRO A 520 2.714 8.912 11.968 1.00 0.00 C ATOM 0 HA PRO A 520 2.298 6.820 9.532 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.492 6.461 11.550 1.00 0.00 H new ATOM 0 HB3 PRO A 520 2.187 6.109 11.819 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.643 8.634 12.573 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.789 7.735 13.547 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.544 9.972 12.154 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.661 8.653 12.442 1.00 0.00 H new ATOM 758 N ALA A 521 0.719 9.048 8.571 1.00 0.00 N ATOM 759 CA ALA A 521 -0.324 9.549 7.670 1.00 0.00 C ATOM 760 C ALA A 521 0.202 9.915 6.264 1.00 0.00 C ATOM 761 O ALA A 521 -0.485 9.648 5.273 1.00 0.00 O ATOM 762 CB ALA A 521 -1.008 10.747 8.339 1.00 0.00 C ATOM 0 H ALA A 521 1.573 9.605 8.532 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.042 8.746 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.788 11.134 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.452 10.432 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -0.271 11.528 8.527 1.00 0.00 H new ATOM 768 N GLY A 522 1.415 10.474 6.152 1.00 0.00 N ATOM 769 CA GLY A 522 2.090 10.724 4.870 1.00 0.00 C ATOM 770 C GLY A 522 3.069 11.898 4.816 1.00 0.00 C ATOM 771 O GLY A 522 3.514 12.265 3.725 1.00 0.00 O ATOM 0 H GLY A 522 1.963 10.769 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.630 9.820 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 522 1.325 10.886 4.111 1.00 0.00 H new ATOM 775 N GLN A 523 3.409 12.503 5.950 1.00 0.00 N ATOM 776 CA GLN A 523 4.122 13.775 6.020 1.00 0.00 C ATOM 777 C GLN A 523 5.597 13.519 6.312 1.00 0.00 C ATOM 778 O GLN A 523 5.921 12.877 7.308 1.00 0.00 O ATOM 779 CB GLN A 523 3.530 14.616 7.154 1.00 0.00 C ATOM 780 CG GLN A 523 2.021 14.821 7.023 1.00 0.00 C ATOM 781 CD GLN A 523 1.502 15.887 7.985 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.346 17.053 7.640 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.215 15.540 9.221 1.00 0.00 N ATOM 0 H GLN A 523 3.192 12.114 6.867 1.00 0.00 H new ATOM 0 HA GLN A 523 4.023 14.301 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.744 14.132 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 523 4.023 15.588 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.782 15.109 5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.509 13.878 7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 523 1.340 14.573 9.521 1.00 0.00 H new ATOM 0 HE22 GLN A 523 0.867 16.238 9.879 1.00 0.00 H new ATOM 792 N GLU A 524 6.480 14.020 5.454 1.00 0.00 N ATOM 793 CA GLU A 524 7.936 13.925 5.614 1.00 0.00 C ATOM 794 C GLU A 524 8.536 15.241 6.138 1.00 0.00 C ATOM 795 O GLU A 524 8.016 16.337 5.902 1.00 0.00 O ATOM 796 CB GLU A 524 8.602 13.560 4.280 1.00 0.00 C ATOM 797 CG GLU A 524 8.213 12.170 3.760 1.00 0.00 C ATOM 798 CD GLU A 524 8.733 11.901 2.331 1.00 0.00 C ATOM 799 OE1 GLU A 524 9.811 12.415 1.942 1.00 0.00 O ATOM 800 OE2 GLU A 524 8.052 11.166 1.574 1.00 0.00 O ATOM 0 H GLU A 524 6.202 14.516 4.607 1.00 0.00 H new ATOM 0 HA GLU A 524 8.129 13.141 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.333 14.307 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.685 13.604 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.608 11.411 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 524 7.127 12.073 3.771 1.00 0.00 H new ATOM 807 N GLY A 525 9.658 15.120 6.844 1.00 0.00 N ATOM 808 CA GLY A 525 10.385 16.215 7.489 1.00 0.00 C ATOM 809 C GLY A 525 11.583 15.663 8.259 1.00 0.00 C ATOM 810 O GLY A 525 12.107 14.609 7.909 1.00 0.00 O ATOM 0 H GLY A 525 10.107 14.216 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.722 16.930 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.723 16.753 8.167 1.00 0.00 H new ATOM 814 N TYR A 526 11.983 16.338 9.331 1.00 0.00 N ATOM 815 CA TYR A 526 13.141 16.009 10.162 1.00 0.00 C ATOM 816 C TYR A 526 12.755 15.911 11.642 1.00 0.00 C ATOM 817 O TYR A 526 11.922 16.672 12.139 1.00 0.00 O ATOM 818 CB TYR A 526 14.242 17.061 9.945 1.00 0.00 C ATOM 819 CG TYR A 526 14.916 17.021 8.582 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.765 15.947 8.255 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.730 18.068 7.656 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.410 15.906 7.004 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.360 18.027 6.397 1.00 0.00 C ATOM 824 CZ TYR A 526 16.198 16.942 6.066 1.00 0.00 C ATOM 825 OH TYR A 526 16.797 16.896 4.844 1.00 0.00 O ATOM 0 H TYR A 526 11.488 17.167 9.661 1.00 0.00 H new ATOM 0 HA TYR A 526 13.520 15.031 9.865 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.810 18.051 10.090 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.004 16.930 10.713 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.922 15.150 8.967 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.100 18.907 7.914 1.00 0.00 H new ATOM 0 HE1 TYR A 526 17.066 15.083 6.761 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.202 18.825 5.686 1.00 0.00 H new ATOM 0 HH TYR A 526 16.542 17.687 4.325 1.00 0.00 H new ATOM 835 N VAL A 527 13.402 14.987 12.353 1.00 0.00 N ATOM 836 CA VAL A 527 13.267 14.786 13.806 1.00 0.00 C ATOM 837 C VAL A 527 14.639 14.481 14.434 1.00 0.00 C ATOM 838 O VAL A 527 15.519 13.943 13.750 1.00 0.00 O ATOM 839 CB VAL A 527 12.269 13.653 14.136 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.829 14.003 13.742 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.654 12.337 13.465 1.00 0.00 C ATOM 0 H VAL A 527 14.057 14.334 11.924 1.00 0.00 H new ATOM 0 HA VAL A 527 12.875 15.710 14.230 1.00 0.00 H new ATOM 0 HB VAL A 527 12.318 13.535 15.218 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.170 13.173 13.996 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.511 14.896 14.280 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.780 14.190 12.669 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.925 11.569 13.725 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.670 12.471 12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.642 12.030 13.807 1.00 0.00 H new ATOM 851 N PRO A 528 14.850 14.800 15.723 1.00 0.00 N ATOM 852 CA PRO A 528 16.123 14.568 16.400 1.00 0.00 C ATOM 853 C PRO A 528 16.381 13.070 16.602 1.00 0.00 C ATOM 854 O PRO A 528 15.545 12.366 17.164 1.00 0.00 O ATOM 855 CB PRO A 528 15.986 15.313 17.734 1.00 0.00 C ATOM 856 CG PRO A 528 14.489 15.325 18.019 1.00 0.00 C ATOM 857 CD PRO A 528 13.905 15.459 16.618 1.00 0.00 C ATOM 0 HA PRO A 528 16.975 14.925 15.822 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.536 14.808 18.528 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.384 16.325 17.665 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.160 14.411 18.513 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.202 16.157 18.663 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.922 14.992 16.559 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.777 16.507 16.347 1.00 0.00 H new ATOM 865 N TYR A 529 17.567 12.574 16.228 1.00 0.00 N ATOM 866 CA TYR A 529 17.930 11.162 16.460 1.00 0.00 C ATOM 867 C TYR A 529 17.917 10.749 17.942 1.00 0.00 C ATOM 868 O TYR A 529 17.788 9.567 18.254 1.00 0.00 O ATOM 869 CB TYR A 529 19.297 10.833 15.845 1.00 0.00 C ATOM 870 CG TYR A 529 20.506 11.135 16.728 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.765 12.451 17.156 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.351 10.094 17.163 1.00 0.00 C ATOM 873 CE1 TYR A 529 21.863 12.751 17.983 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.444 10.375 18.007 1.00 0.00 C ATOM 875 CZ TYR A 529 22.707 11.704 18.415 1.00 0.00 C ATOM 876 OH TYR A 529 23.762 11.977 19.228 1.00 0.00 O ATOM 0 H TYR A 529 18.292 13.123 15.765 1.00 0.00 H new ATOM 0 HA TYR A 529 17.151 10.582 15.964 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.314 9.774 15.586 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.401 11.391 14.914 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.106 13.248 16.843 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.160 9.079 16.849 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.058 13.770 18.284 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.084 9.573 18.344 1.00 0.00 H new ATOM 0 HH TYR A 529 24.240 11.147 19.433 1.00 0.00 H new ATOM 886 N ASN A 530 18.023 11.718 18.860 1.00 0.00 N ATOM 887 CA ASN A 530 18.051 11.478 20.301 1.00 0.00 C ATOM 888 C ASN A 530 16.767 10.790 20.807 1.00 0.00 C ATOM 889 O ASN A 530 16.830 9.898 21.657 1.00 0.00 O ATOM 890 CB ASN A 530 18.279 12.839 20.980 1.00 0.00 C ATOM 891 CG ASN A 530 18.769 12.717 22.414 1.00 0.00 C ATOM 892 OD1 ASN A 530 18.228 12.012 23.254 1.00 0.00 O ATOM 893 ND2 ASN A 530 19.818 13.427 22.744 1.00 0.00 N ATOM 0 H ASN A 530 18.093 12.705 18.614 1.00 0.00 H new ATOM 0 HA ASN A 530 18.857 10.787 20.549 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.006 13.409 20.402 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.347 13.405 20.968 1.00 0.00 H new ATOM 0 HD21 ASN A 530 20.180 13.390 23.697 1.00 0.00 H new ATOM 0 HD22 ASN A 530 20.274 14.017 22.048 1.00 0.00 H new ATOM 900 N ILE A 531 15.609 11.162 20.240 1.00 0.00 N ATOM 901 CA ILE A 531 14.310 10.566 20.594 1.00 0.00 C ATOM 902 C ILE A 531 14.002 9.311 19.765 1.00 0.00 C ATOM 903 O ILE A 531 12.966 8.695 19.993 1.00 0.00 O ATOM 904 CB ILE A 531 13.148 11.596 20.538 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.645 11.859 19.099 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.566 12.900 21.249 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.546 12.921 18.980 1.00 0.00 C ATOM 0 H ILE A 531 15.546 11.885 19.523 1.00 0.00 H new ATOM 0 HA ILE A 531 14.394 10.248 21.633 1.00 0.00 H new ATOM 0 HB ILE A 531 12.299 11.165 21.068 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.492 12.164 18.484 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.271 10.923 18.684 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.746 13.617 21.205 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.806 12.686 22.290 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.442 13.320 20.754 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.260 13.033 17.934 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.678 12.613 19.562 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.917 13.873 19.359 1.00 0.00 H new ATOM 919 N LEU A 532 14.857 8.929 18.806 1.00 0.00 N ATOM 920 CA LEU A 532 14.656 7.755 17.957 1.00 0.00 C ATOM 921 C LEU A 532 15.500 6.566 18.451 1.00 0.00 C ATOM 922 O LEU A 532 16.722 6.672 18.594 1.00 0.00 O ATOM 923 CB LEU A 532 15.014 8.110 16.501 1.00 0.00 C ATOM 924 CG LEU A 532 14.190 9.243 15.854 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.627 9.389 14.392 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.678 9.009 15.927 1.00 0.00 C ATOM 0 H LEU A 532 15.718 9.436 18.599 1.00 0.00 H new ATOM 0 HA LEU A 532 13.609 7.458 18.007 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.067 8.389 16.465 1.00 0.00 H new ATOM 0 HB3 LEU A 532 14.901 7.213 15.892 1.00 0.00 H new ATOM 0 HG LEU A 532 14.384 10.157 16.416 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.054 10.186 13.919 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.689 9.632 14.352 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.449 8.452 13.864 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.158 9.842 15.454 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.428 8.084 15.408 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.371 8.935 16.970 1.00 0.00 H new ATOM 938 N THR A 533 14.862 5.410 18.652 1.00 0.00 N ATOM 939 CA THR A 533 15.528 4.147 19.024 1.00 0.00 C ATOM 940 C THR A 533 15.261 3.056 17.968 1.00 0.00 C ATOM 941 O THR A 533 14.141 2.986 17.447 1.00 0.00 O ATOM 942 CB THR A 533 15.122 3.712 20.449 1.00 0.00 C ATOM 943 OG1 THR A 533 15.786 2.531 20.832 1.00 0.00 O ATOM 944 CG2 THR A 533 13.635 3.430 20.631 1.00 0.00 C ATOM 0 H THR A 533 13.850 5.318 18.561 1.00 0.00 H new ATOM 0 HA THR A 533 16.606 4.309 19.041 1.00 0.00 H new ATOM 0 HB THR A 533 15.400 4.569 21.063 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.511 2.280 21.739 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.445 3.132 21.662 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.063 4.329 20.402 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.332 2.627 19.959 1.00 0.00 H new ATOM 952 N PRO A 534 16.259 2.219 17.607 1.00 0.00 N ATOM 953 CA PRO A 534 16.126 1.181 16.581 1.00 0.00 C ATOM 954 C PRO A 534 15.112 0.110 17.009 1.00 0.00 C ATOM 955 O PRO A 534 15.359 -0.665 17.940 1.00 0.00 O ATOM 956 CB PRO A 534 17.538 0.615 16.377 1.00 0.00 C ATOM 957 CG PRO A 534 18.236 0.886 17.707 1.00 0.00 C ATOM 958 CD PRO A 534 17.612 2.206 18.152 1.00 0.00 C ATOM 0 HA PRO A 534 15.737 1.578 15.643 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.512 -0.451 16.149 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.050 1.106 15.549 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.055 0.089 18.429 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.316 0.969 17.588 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.595 2.282 19.239 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.189 3.054 17.783 1.00 0.00 H new