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 150:sc= 0 USER MOD Single : A 486 ASN : amide:sc= -0.182 K(o=-0.18,f=-3.1!) 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= -0.0939 X(o=-0.094,f=-0.094) 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 38:sc= 0.367 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=-0.33) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.175 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.253 1.957 7.775 1.00 0.00 N ATOM 75 CA LYS A 481 13.814 1.009 8.814 1.00 0.00 C ATOM 76 C LYS A 481 12.701 1.631 9.657 1.00 0.00 C ATOM 77 O LYS A 481 12.237 2.743 9.392 1.00 0.00 O ATOM 78 CB LYS A 481 15.027 0.615 9.699 1.00 0.00 C ATOM 79 CG LYS A 481 15.124 -0.895 9.995 1.00 0.00 C ATOM 80 CD LYS A 481 15.803 -1.671 8.849 1.00 0.00 C ATOM 81 CE LYS A 481 16.326 -3.043 9.301 1.00 0.00 C ATOM 82 NZ LYS A 481 15.245 -4.051 9.469 1.00 0.00 N ATOM 0 HA LYS A 481 13.417 0.109 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 481 15.944 0.937 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 481 14.966 1.157 10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 481 15.685 -1.047 10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.124 -1.296 10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.092 -1.807 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.631 -1.081 8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 481 17.047 -3.410 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 481 16.859 -2.929 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 15.658 -4.955 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 14.569 -3.719 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 14.751 -4.184 8.564 1.00 0.00 H new ATOM 96 N TRP A 482 12.306 0.914 10.699 1.00 0.00 N ATOM 97 CA TRP A 482 11.371 1.374 11.714 1.00 0.00 C ATOM 98 C TRP A 482 12.144 1.866 12.944 1.00 0.00 C ATOM 99 O TRP A 482 13.002 1.155 13.476 1.00 0.00 O ATOM 100 CB TRP A 482 10.416 0.217 12.061 1.00 0.00 C ATOM 101 CG TRP A 482 10.094 -0.729 10.941 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.224 -2.074 10.983 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.697 -0.410 9.571 1.00 0.00 C ATOM 104 NE1 TRP A 482 9.963 -2.605 9.735 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.651 -1.623 8.818 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.430 0.788 8.875 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.362 -1.645 7.444 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.158 0.778 7.496 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.119 -0.431 6.778 1.00 0.00 C ATOM 0 H TRP A 482 12.639 -0.036 10.866 1.00 0.00 H new ATOM 0 HA TRP A 482 10.780 2.212 11.344 1.00 0.00 H new ATOM 0 HB2 TRP A 482 10.853 -0.355 12.879 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.483 0.641 12.431 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.491 -2.646 11.859 1.00 0.00 H new ATOM 0 HE1 TRP A 482 9.997 -3.601 9.518 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.435 1.726 9.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.327 -2.581 6.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 8.977 1.710 6.981 1.00 0.00 H new ATOM 0 HH2 TRP A 482 8.903 -0.427 5.720 1.00 0.00 H new ATOM 120 N VAL A 483 11.830 3.074 13.415 1.00 0.00 N ATOM 121 CA VAL A 483 12.390 3.637 14.654 1.00 0.00 C ATOM 122 C VAL A 483 11.280 4.136 15.569 1.00 0.00 C ATOM 123 O VAL A 483 10.380 4.862 15.141 1.00 0.00 O ATOM 124 CB VAL A 483 13.432 4.745 14.409 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.757 4.162 13.913 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.994 5.836 13.423 1.00 0.00 C ATOM 0 H VAL A 483 11.174 3.698 12.946 1.00 0.00 H new ATOM 0 HA VAL A 483 12.922 2.822 15.145 1.00 0.00 H new ATOM 0 HB VAL A 483 13.548 5.215 15.385 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.471 4.969 13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.153 3.473 14.659 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.592 3.628 12.977 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.792 6.571 13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.782 5.386 12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 483 12.097 6.328 13.799 1.00 0.00 H new ATOM 136 N LEU A 484 11.331 3.701 16.827 1.00 0.00 N ATOM 137 CA LEU A 484 10.422 4.130 17.887 1.00 0.00 C ATOM 138 C LEU A 484 10.875 5.489 18.449 1.00 0.00 C ATOM 139 O LEU A 484 12.071 5.784 18.514 1.00 0.00 O ATOM 140 CB LEU A 484 10.363 3.006 18.947 1.00 0.00 C ATOM 141 CG LEU A 484 9.640 3.374 20.252 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.139 3.505 20.014 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.882 2.361 21.366 1.00 0.00 C ATOM 0 H LEU A 484 12.024 3.023 17.145 1.00 0.00 H new ATOM 0 HA LEU A 484 9.411 4.288 17.513 1.00 0.00 H new ATOM 0 HB2 LEU A 484 9.868 2.140 18.508 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.382 2.702 19.188 1.00 0.00 H new ATOM 0 HG LEU A 484 10.055 4.330 20.573 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.644 3.766 20.949 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.954 4.285 19.276 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.745 2.557 19.647 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.347 2.672 22.263 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.523 1.381 21.051 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.949 2.305 21.581 1.00 0.00 H new ATOM 155 N CYS A 485 9.910 6.294 18.890 1.00 0.00 N ATOM 156 CA CYS A 485 10.129 7.552 19.587 1.00 0.00 C ATOM 157 C CYS A 485 10.292 7.324 21.104 1.00 0.00 C ATOM 158 O CYS A 485 9.342 6.929 21.783 1.00 0.00 O ATOM 159 CB CYS A 485 8.955 8.486 19.261 1.00 0.00 C ATOM 160 SG CYS A 485 9.335 9.417 17.750 1.00 0.00 S ATOM 0 H CYS A 485 8.921 6.077 18.766 1.00 0.00 H new ATOM 0 HA CYS A 485 11.057 8.015 19.252 1.00 0.00 H new ATOM 0 HB2 CYS A 485 8.041 7.907 19.126 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.779 9.171 20.090 1.00 0.00 H new ATOM 0 HG CYS A 485 8.231 9.690 17.119 1.00 0.00 H new ATOM 166 N ASN A 486 11.484 7.597 21.642 1.00 0.00 N ATOM 167 CA ASN A 486 11.786 7.608 23.079 1.00 0.00 C ATOM 168 C ASN A 486 11.098 8.763 23.838 1.00 0.00 C ATOM 169 O ASN A 486 10.748 8.610 25.010 1.00 0.00 O ATOM 170 CB ASN A 486 13.309 7.746 23.265 1.00 0.00 C ATOM 171 CG ASN A 486 14.113 6.614 22.661 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.880 6.798 21.727 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.968 5.415 23.174 1.00 0.00 N ATOM 0 H ASN A 486 12.296 7.825 21.069 1.00 0.00 H new ATOM 0 HA ASN A 486 11.406 6.673 23.491 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.634 8.686 22.819 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.530 7.805 24.331 1.00 0.00 H new ATOM 0 HD21 ASN A 486 14.497 4.630 22.794 1.00 0.00 H new ATOM 0 HD22 ASN A 486 13.327 5.268 23.953 1.00 0.00 H new ATOM 180 N TYR A 487 10.909 9.908 23.169 1.00 0.00 N ATOM 181 CA TYR A 487 10.374 11.159 23.730 1.00 0.00 C ATOM 182 C TYR A 487 9.453 11.861 22.714 1.00 0.00 C ATOM 183 O TYR A 487 9.476 11.566 21.517 1.00 0.00 O ATOM 184 CB TYR A 487 11.516 12.108 24.138 1.00 0.00 C ATOM 185 CG TYR A 487 12.572 11.517 25.058 1.00 0.00 C ATOM 186 CD1 TYR A 487 12.386 11.515 26.455 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.748 10.975 24.510 1.00 0.00 C ATOM 188 CE1 TYR A 487 13.374 10.964 27.298 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.735 10.418 25.343 1.00 0.00 C ATOM 190 CZ TYR A 487 14.551 10.410 26.742 1.00 0.00 C ATOM 191 OH TYR A 487 15.506 9.872 27.547 1.00 0.00 O ATOM 0 H TYR A 487 11.134 9.993 22.178 1.00 0.00 H new ATOM 0 HA TYR A 487 9.794 10.905 24.617 1.00 0.00 H new ATOM 0 HB2 TYR A 487 12.008 12.464 23.233 1.00 0.00 H new ATOM 0 HB3 TYR A 487 11.081 12.979 24.628 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.487 11.935 26.880 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.895 10.986 23.440 1.00 0.00 H new ATOM 0 HE1 TYR A 487 13.232 10.965 28.369 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.632 9.997 24.913 1.00 0.00 H new ATOM 0 HH TYR A 487 16.246 9.537 26.998 1.00 0.00 H new ATOM 201 N ASP A 488 8.635 12.797 23.196 1.00 0.00 N ATOM 202 CA ASP A 488 7.786 13.662 22.371 1.00 0.00 C ATOM 203 C ASP A 488 8.529 14.889 21.794 1.00 0.00 C ATOM 204 O ASP A 488 9.560 15.322 22.319 1.00 0.00 O ATOM 205 CB ASP A 488 6.580 14.115 23.204 1.00 0.00 C ATOM 206 CG ASP A 488 6.964 14.965 24.427 1.00 0.00 C ATOM 207 OD1 ASP A 488 7.301 14.380 25.486 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.896 16.214 24.342 1.00 0.00 O ATOM 0 H ASP A 488 8.541 12.980 24.195 1.00 0.00 H new ATOM 0 HA ASP A 488 7.465 13.076 21.510 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.905 14.690 22.569 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.030 13.236 23.540 1.00 0.00 H new ATOM 213 N PHE A 489 7.975 15.463 20.719 1.00 0.00 N ATOM 214 CA PHE A 489 8.483 16.645 20.012 1.00 0.00 C ATOM 215 C PHE A 489 7.365 17.340 19.199 1.00 0.00 C ATOM 216 O PHE A 489 6.386 16.706 18.803 1.00 0.00 O ATOM 217 CB PHE A 489 9.630 16.179 19.096 1.00 0.00 C ATOM 218 CG PHE A 489 10.338 17.281 18.332 1.00 0.00 C ATOM 219 CD1 PHE A 489 11.005 18.314 19.022 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.311 17.282 16.926 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.612 19.363 18.305 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.943 18.312 16.211 1.00 0.00 C ATOM 223 CZ PHE A 489 11.584 19.355 16.899 1.00 0.00 C ATOM 0 H PHE A 489 7.120 15.099 20.299 1.00 0.00 H new ATOM 0 HA PHE A 489 8.846 17.383 20.728 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.365 15.650 19.702 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.232 15.461 18.379 1.00 0.00 H new ATOM 0 HD1 PHE A 489 11.050 18.301 20.101 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.804 16.490 16.396 1.00 0.00 H new ATOM 0 HE1 PHE A 489 12.097 20.171 18.833 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.936 18.302 15.131 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.057 20.153 16.347 1.00 0.00 H new ATOM 233 N GLN A 490 7.507 18.636 18.901 1.00 0.00 N ATOM 234 CA GLN A 490 6.530 19.422 18.125 1.00 0.00 C ATOM 235 C GLN A 490 7.197 20.119 16.934 1.00 0.00 C ATOM 236 O GLN A 490 8.305 20.642 17.058 1.00 0.00 O ATOM 237 CB GLN A 490 5.858 20.479 19.015 1.00 0.00 C ATOM 238 CG GLN A 490 4.846 19.882 20.004 1.00 0.00 C ATOM 239 CD GLN A 490 4.098 20.983 20.761 1.00 0.00 C ATOM 240 OE1 GLN A 490 3.336 21.759 20.195 1.00 0.00 O ATOM 241 NE2 GLN A 490 4.280 21.105 22.061 1.00 0.00 N ATOM 0 H GLN A 490 8.317 19.182 19.196 1.00 0.00 H new ATOM 0 HA GLN A 490 5.778 18.728 17.751 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.625 21.018 19.571 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.352 21.208 18.383 1.00 0.00 H new ATOM 0 HG2 GLN A 490 4.133 19.257 19.466 1.00 0.00 H new ATOM 0 HG3 GLN A 490 5.364 19.236 20.713 1.00 0.00 H new ATOM 0 HE21 GLN A 490 4.910 20.469 22.550 1.00 0.00 H new ATOM 0 HE22 GLN A 490 3.791 21.836 22.578 1.00 0.00 H new ATOM 250 N ALA A 491 6.491 20.177 15.797 1.00 0.00 N ATOM 251 CA ALA A 491 6.981 20.840 14.592 1.00 0.00 C ATOM 252 C ALA A 491 6.871 22.364 14.736 1.00 0.00 C ATOM 253 O ALA A 491 5.798 22.955 14.567 1.00 0.00 O ATOM 254 CB ALA A 491 6.241 20.339 13.343 1.00 0.00 C ATOM 0 H ALA A 491 5.564 19.764 15.692 1.00 0.00 H new ATOM 0 HA ALA A 491 8.034 20.588 14.467 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.627 20.851 12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.394 19.265 13.236 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.175 20.545 13.444 1.00 0.00 H new ATOM 260 N ARG A 492 7.989 23.008 15.066 1.00 0.00 N ATOM 261 CA ARG A 492 8.104 24.469 15.143 1.00 0.00 C ATOM 262 C ARG A 492 8.149 25.117 13.748 1.00 0.00 C ATOM 263 O ARG A 492 7.888 26.314 13.628 1.00 0.00 O ATOM 264 CB ARG A 492 9.352 24.821 15.971 1.00 0.00 C ATOM 265 CG ARG A 492 9.342 24.235 17.404 1.00 0.00 C ATOM 266 CD ARG A 492 10.679 23.568 17.766 1.00 0.00 C ATOM 267 NE ARG A 492 10.913 23.537 19.224 1.00 0.00 N ATOM 268 CZ ARG A 492 11.358 24.534 19.972 1.00 0.00 C ATOM 269 NH1 ARG A 492 11.589 25.723 19.486 1.00 0.00 N ATOM 270 NH2 ARG A 492 11.586 24.357 21.242 1.00 0.00 N ATOM 0 H ARG A 492 8.858 22.523 15.292 1.00 0.00 H new ATOM 0 HA ARG A 492 7.217 24.871 15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.237 24.459 15.448 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.440 25.906 16.034 1.00 0.00 H new ATOM 0 HG2 ARG A 492 9.129 25.030 18.119 1.00 0.00 H new ATOM 0 HG3 ARG A 492 8.538 23.504 17.491 1.00 0.00 H new ATOM 0 HD2 ARG A 492 10.692 22.550 17.376 1.00 0.00 H new ATOM 0 HD3 ARG A 492 11.494 24.105 17.281 1.00 0.00 H new ATOM 0 HE ARG A 492 10.711 22.659 19.702 1.00 0.00 H new ATOM 0 HH11 ARG A 492 11.427 25.910 18.496 1.00 0.00 H new ATOM 0 HH12 ARG A 492 11.932 26.465 20.096 1.00 0.00 H new ATOM 0 HH21 ARG A 492 11.422 23.445 21.667 1.00 0.00 H new ATOM 0 HH22 ARG A 492 11.929 25.131 21.811 1.00 0.00 H new ATOM 284 N ASN A 493 8.446 24.329 12.702 1.00 0.00 N ATOM 285 CA ASN A 493 8.578 24.759 11.299 1.00 0.00 C ATOM 286 C ASN A 493 8.183 23.636 10.311 1.00 0.00 C ATOM 287 O ASN A 493 8.016 22.481 10.698 1.00 0.00 O ATOM 288 CB ASN A 493 10.041 25.194 11.051 1.00 0.00 C ATOM 289 CG ASN A 493 10.420 26.477 11.773 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.037 27.572 11.377 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.191 26.388 12.834 1.00 0.00 N ATOM 0 H ASN A 493 8.608 23.328 12.816 1.00 0.00 H new ATOM 0 HA ASN A 493 7.897 25.593 11.126 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.709 24.395 11.371 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.196 25.329 9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.473 27.232 13.332 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.507 25.474 13.160 1.00 0.00 H new ATOM 298 N SER A 494 8.089 23.959 9.015 1.00 0.00 N ATOM 299 CA SER A 494 7.811 22.995 7.927 1.00 0.00 C ATOM 300 C SER A 494 8.952 22.001 7.651 1.00 0.00 C ATOM 301 O SER A 494 8.718 20.936 7.076 1.00 0.00 O ATOM 302 CB SER A 494 7.525 23.735 6.612 1.00 0.00 C ATOM 303 OG SER A 494 6.622 24.815 6.797 1.00 0.00 O ATOM 0 H SER A 494 8.205 24.915 8.680 1.00 0.00 H new ATOM 0 HA SER A 494 6.947 22.429 8.276 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.460 24.111 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.111 23.036 5.885 1.00 0.00 H new ATOM 0 HG SER A 494 6.466 25.262 5.939 1.00 0.00 H new ATOM 309 N SER A 495 10.189 22.339 8.039 1.00 0.00 N ATOM 310 CA SER A 495 11.368 21.462 7.918 1.00 0.00 C ATOM 311 C SER A 495 11.353 20.264 8.874 1.00 0.00 C ATOM 312 O SER A 495 12.057 19.279 8.667 1.00 0.00 O ATOM 313 CB SER A 495 12.645 22.272 8.173 1.00 0.00 C ATOM 314 OG SER A 495 12.588 22.915 9.436 1.00 0.00 O ATOM 0 H SER A 495 10.405 23.245 8.454 1.00 0.00 H new ATOM 0 HA SER A 495 11.341 21.065 6.903 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.513 21.614 8.134 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.773 23.016 7.386 1.00 0.00 H new ATOM 0 HG SER A 495 13.412 23.425 9.581 1.00 0.00 H new ATOM 320 N GLU A 496 10.527 20.332 9.909 1.00 0.00 N ATOM 321 CA GLU A 496 10.432 19.393 11.019 1.00 0.00 C ATOM 322 C GLU A 496 9.001 18.833 11.136 1.00 0.00 C ATOM 323 O GLU A 496 8.110 19.161 10.345 1.00 0.00 O ATOM 324 CB GLU A 496 10.912 20.079 12.315 1.00 0.00 C ATOM 325 CG GLU A 496 10.325 21.474 12.551 1.00 0.00 C ATOM 326 CD GLU A 496 10.978 22.160 13.761 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.576 21.836 14.900 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.838 23.057 13.575 1.00 0.00 O ATOM 0 H GLU A 496 9.859 21.098 10.002 1.00 0.00 H new ATOM 0 HA GLU A 496 11.083 18.538 10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.657 19.443 13.163 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.999 20.156 12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.470 22.087 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.250 21.395 12.712 1.00 0.00 H new ATOM 335 N LEU A 497 8.789 17.957 12.118 1.00 0.00 N ATOM 336 CA LEU A 497 7.526 17.238 12.353 1.00 0.00 C ATOM 337 C LEU A 497 7.159 17.112 13.841 1.00 0.00 C ATOM 338 O LEU A 497 7.986 17.328 14.725 1.00 0.00 O ATOM 339 CB LEU A 497 7.611 15.839 11.718 1.00 0.00 C ATOM 340 CG LEU A 497 7.578 15.805 10.185 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.797 14.358 9.752 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.255 16.300 9.592 1.00 0.00 C ATOM 0 H LEU A 497 9.512 17.717 12.797 1.00 0.00 H new ATOM 0 HA LEU A 497 6.735 17.828 11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.531 15.362 12.055 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.784 15.237 12.095 1.00 0.00 H new ATOM 0 HG LEU A 497 8.355 16.476 9.819 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.779 14.297 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.763 14.010 10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.006 13.731 10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.302 16.249 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.439 15.673 9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 497 6.082 17.331 9.899 1.00 0.00 H new ATOM 354 N SER A 498 5.895 16.760 14.108 1.00 0.00 N ATOM 355 CA SER A 498 5.316 16.652 15.452 1.00 0.00 C ATOM 356 C SER A 498 5.011 15.190 15.770 1.00 0.00 C ATOM 357 O SER A 498 4.116 14.591 15.166 1.00 0.00 O ATOM 358 CB SER A 498 4.041 17.506 15.576 1.00 0.00 C ATOM 359 OG SER A 498 3.076 17.184 14.584 1.00 0.00 O ATOM 0 H SER A 498 5.227 16.536 13.371 1.00 0.00 H new ATOM 0 HA SER A 498 6.043 17.030 16.171 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.605 17.361 16.564 1.00 0.00 H new ATOM 0 HB3 SER A 498 4.304 18.561 15.495 1.00 0.00 H new ATOM 0 HG SER A 498 3.080 16.217 14.425 1.00 0.00 H new ATOM 365 N VAL A 499 5.757 14.623 16.717 1.00 0.00 N ATOM 366 CA VAL A 499 5.717 13.198 17.070 1.00 0.00 C ATOM 367 C VAL A 499 5.638 13.028 18.582 1.00 0.00 C ATOM 368 O VAL A 499 6.007 13.917 19.350 1.00 0.00 O ATOM 369 CB VAL A 499 6.927 12.424 16.498 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.992 12.488 14.965 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.280 12.885 17.057 1.00 0.00 C ATOM 0 H VAL A 499 6.425 15.153 17.277 1.00 0.00 H new ATOM 0 HA VAL A 499 4.820 12.774 16.618 1.00 0.00 H new ATOM 0 HB VAL A 499 6.755 11.397 16.820 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.859 11.929 14.614 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.085 12.053 14.544 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.077 13.527 14.648 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.079 12.295 16.608 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.431 13.939 16.822 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.292 12.749 18.138 1.00 0.00 H new ATOM 381 N LYS A 500 5.179 11.868 19.035 1.00 0.00 N ATOM 382 CA LYS A 500 5.022 11.550 20.457 1.00 0.00 C ATOM 383 C LYS A 500 5.810 10.288 20.774 1.00 0.00 C ATOM 384 O LYS A 500 6.042 9.446 19.906 1.00 0.00 O ATOM 385 CB LYS A 500 3.521 11.434 20.795 1.00 0.00 C ATOM 386 CG LYS A 500 2.802 12.796 20.712 1.00 0.00 C ATOM 387 CD LYS A 500 3.067 13.668 21.954 1.00 0.00 C ATOM 388 CE LYS A 500 3.113 15.174 21.649 1.00 0.00 C ATOM 389 NZ LYS A 500 1.761 15.752 21.421 1.00 0.00 N ATOM 0 H LYS A 500 4.899 11.106 18.417 1.00 0.00 H new ATOM 0 HA LYS A 500 5.424 12.345 21.085 1.00 0.00 H new ATOM 0 HB2 LYS A 500 3.048 10.732 20.108 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.406 11.024 21.798 1.00 0.00 H new ATOM 0 HG2 LYS A 500 3.134 13.327 19.820 1.00 0.00 H new ATOM 0 HG3 LYS A 500 1.729 12.633 20.606 1.00 0.00 H new ATOM 0 HD2 LYS A 500 2.289 13.479 22.693 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.013 13.368 22.404 1.00 0.00 H new ATOM 0 HE2 LYS A 500 3.592 15.695 22.478 1.00 0.00 H new ATOM 0 HE3 LYS A 500 3.730 15.344 20.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 1.848 16.769 21.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 1.312 15.276 20.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 1.177 15.616 22.271 1.00 0.00 H new ATOM 403 N GLN A 501 6.245 10.169 22.024 1.00 0.00 N ATOM 404 CA GLN A 501 6.825 8.924 22.524 1.00 0.00 C ATOM 405 C GLN A 501 5.867 7.741 22.320 1.00 0.00 C ATOM 406 O GLN A 501 4.645 7.919 22.275 1.00 0.00 O ATOM 407 CB GLN A 501 7.262 9.057 23.989 1.00 0.00 C ATOM 408 CG GLN A 501 6.164 9.617 24.913 1.00 0.00 C ATOM 409 CD GLN A 501 6.390 9.248 26.381 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.433 8.083 26.759 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.521 10.211 27.272 1.00 0.00 N ATOM 0 H GLN A 501 6.207 10.921 22.712 1.00 0.00 H new ATOM 0 HA GLN A 501 7.722 8.719 21.939 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.571 8.079 24.357 1.00 0.00 H new ATOM 0 HB3 GLN A 501 8.135 9.707 24.041 1.00 0.00 H new ATOM 0 HG2 GLN A 501 6.130 10.702 24.815 1.00 0.00 H new ATOM 0 HG3 GLN A 501 5.194 9.237 24.591 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.488 11.187 26.977 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.655 9.980 28.256 1.00 0.00 H new ATOM 420 N ARG A 502 6.438 6.534 22.227 1.00 0.00 N ATOM 421 CA ARG A 502 5.718 5.262 22.022 1.00 0.00 C ATOM 422 C ARG A 502 5.109 5.104 20.611 1.00 0.00 C ATOM 423 O ARG A 502 4.286 4.211 20.394 1.00 0.00 O ATOM 424 CB ARG A 502 4.674 5.005 23.134 1.00 0.00 C ATOM 425 CG ARG A 502 5.131 5.286 24.579 1.00 0.00 C ATOM 426 CD ARG A 502 6.324 4.435 25.031 1.00 0.00 C ATOM 427 NE ARG A 502 5.993 2.996 25.026 1.00 0.00 N ATOM 428 CZ ARG A 502 6.813 1.992 25.276 1.00 0.00 C ATOM 429 NH1 ARG A 502 8.066 2.179 25.588 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.380 0.765 25.219 1.00 0.00 N ATOM 0 H ARG A 502 7.448 6.407 22.294 1.00 0.00 H new ATOM 0 HA ARG A 502 6.479 4.485 22.095 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.797 5.618 22.928 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.357 3.964 23.072 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.395 6.340 24.668 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.294 5.109 25.255 1.00 0.00 H new ATOM 0 HD2 ARG A 502 7.173 4.617 24.372 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.629 4.736 26.033 1.00 0.00 H new ATOM 0 HE ARG A 502 5.028 2.752 24.806 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.442 3.126 25.645 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.670 1.379 25.775 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.406 0.578 24.981 1.00 0.00 H new ATOM 0 HH22 ARG A 502 7.015 -0.009 25.412 1.00 0.00 H new ATOM 444 N ASP A 503 5.541 5.924 19.648 1.00 0.00 N ATOM 445 CA ASP A 503 5.126 5.858 18.236 1.00 0.00 C ATOM 446 C ASP A 503 6.303 5.414 17.359 1.00 0.00 C ATOM 447 O ASP A 503 7.448 5.772 17.634 1.00 0.00 O ATOM 448 CB ASP A 503 4.640 7.234 17.747 1.00 0.00 C ATOM 449 CG ASP A 503 3.292 7.700 18.331 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.529 6.886 18.908 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.949 8.890 18.131 1.00 0.00 O ATOM 0 H ASP A 503 6.208 6.674 19.830 1.00 0.00 H new ATOM 0 HA ASP A 503 4.312 5.137 18.160 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.399 7.977 17.990 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.557 7.207 16.660 1.00 0.00 H new ATOM 456 N VAL A 504 6.028 4.673 16.282 1.00 0.00 N ATOM 457 CA VAL A 504 7.041 4.172 15.335 1.00 0.00 C ATOM 458 C VAL A 504 6.882 4.840 13.965 1.00 0.00 C ATOM 459 O VAL A 504 5.763 5.050 13.490 1.00 0.00 O ATOM 460 CB VAL A 504 7.019 2.631 15.270 1.00 0.00 C ATOM 461 CG1 VAL A 504 5.717 2.044 14.708 1.00 0.00 C ATOM 462 CG2 VAL A 504 8.189 2.073 14.452 1.00 0.00 C ATOM 0 H VAL A 504 5.078 4.396 16.035 1.00 0.00 H new ATOM 0 HA VAL A 504 8.032 4.447 15.697 1.00 0.00 H new ATOM 0 HB VAL A 504 7.105 2.324 16.312 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.784 0.956 14.696 1.00 0.00 H new ATOM 0 HG12 VAL A 504 4.880 2.349 15.335 1.00 0.00 H new ATOM 0 HG13 VAL A 504 5.562 2.409 13.693 1.00 0.00 H new ATOM 0 HG21 VAL A 504 8.133 0.985 14.433 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.136 2.457 13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 504 9.130 2.380 14.907 1.00 0.00 H new ATOM 472 N LEU A 505 8.009 5.197 13.343 1.00 0.00 N ATOM 473 CA LEU A 505 8.081 6.000 12.117 1.00 0.00 C ATOM 474 C LEU A 505 9.057 5.359 11.119 1.00 0.00 C ATOM 475 O LEU A 505 10.050 4.736 11.505 1.00 0.00 O ATOM 476 CB LEU A 505 8.513 7.444 12.456 1.00 0.00 C ATOM 477 CG LEU A 505 7.693 8.144 13.562 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.416 9.408 14.012 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.273 8.540 13.134 1.00 0.00 C ATOM 0 H LEU A 505 8.929 4.926 13.690 1.00 0.00 H new ATOM 0 HA LEU A 505 7.094 6.034 11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.560 7.429 12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.452 8.045 11.548 1.00 0.00 H new ATOM 0 HG LEU A 505 7.601 7.415 14.367 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.836 9.901 14.792 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.399 9.145 14.402 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.530 10.083 13.164 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.764 9.025 13.967 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.326 9.228 12.290 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.719 7.648 12.841 1.00 0.00 H new ATOM 491 N GLU A 506 8.775 5.523 9.827 1.00 0.00 N ATOM 492 CA GLU A 506 9.636 5.060 8.732 1.00 0.00 C ATOM 493 C GLU A 506 10.731 6.096 8.449 1.00 0.00 C ATOM 494 O GLU A 506 10.429 7.195 7.979 1.00 0.00 O ATOM 495 CB GLU A 506 8.769 4.801 7.486 1.00 0.00 C ATOM 496 CG GLU A 506 9.602 4.418 6.250 1.00 0.00 C ATOM 497 CD GLU A 506 8.753 3.957 5.044 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.497 3.954 5.104 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.351 3.586 4.004 1.00 0.00 O ATOM 0 H GLU A 506 7.928 5.989 9.503 1.00 0.00 H new ATOM 0 HA GLU A 506 10.129 4.129 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.059 4.002 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.185 5.694 7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.206 5.275 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.293 3.620 6.522 1.00 0.00 H new ATOM 506 N VAL A 507 11.997 5.763 8.728 1.00 0.00 N ATOM 507 CA VAL A 507 13.144 6.573 8.275 1.00 0.00 C ATOM 508 C VAL A 507 13.386 6.411 6.769 1.00 0.00 C ATOM 509 O VAL A 507 13.082 5.376 6.175 1.00 0.00 O ATOM 510 CB VAL A 507 14.411 6.303 9.117 1.00 0.00 C ATOM 511 CG1 VAL A 507 14.926 4.868 9.105 1.00 0.00 C ATOM 512 CG2 VAL A 507 15.573 7.235 8.759 1.00 0.00 C ATOM 0 H VAL A 507 12.258 4.937 9.266 1.00 0.00 H new ATOM 0 HA VAL A 507 12.891 7.620 8.439 1.00 0.00 H new ATOM 0 HB VAL A 507 14.056 6.506 10.127 1.00 0.00 H new ATOM 0 HG11 VAL A 507 15.817 4.796 9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 507 14.156 4.202 9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.174 4.579 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 507 16.435 6.998 9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.837 7.101 7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 507 15.275 8.270 8.929 1.00 0.00 H new ATOM 522 N LEU A 508 13.956 7.456 6.172 1.00 0.00 N ATOM 523 CA LEU A 508 14.285 7.616 4.759 1.00 0.00 C ATOM 524 C LEU A 508 15.749 8.075 4.553 1.00 0.00 C ATOM 525 O LEU A 508 16.316 7.839 3.484 1.00 0.00 O ATOM 526 CB LEU A 508 13.357 8.674 4.129 1.00 0.00 C ATOM 527 CG LEU A 508 11.846 8.594 4.429 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.162 9.840 3.863 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.188 7.362 3.809 1.00 0.00 C ATOM 0 H LEU A 508 14.221 8.281 6.710 1.00 0.00 H new ATOM 0 HA LEU A 508 14.153 6.644 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.708 9.656 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.484 8.626 3.048 1.00 0.00 H new ATOM 0 HG LEU A 508 11.732 8.527 5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.093 9.794 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.584 10.730 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.322 9.885 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.125 7.356 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.313 7.389 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.656 6.461 4.206 1.00 0.00 H new ATOM 541 N ASP A 509 16.366 8.722 5.555 1.00 0.00 N ATOM 542 CA ASP A 509 17.758 9.202 5.527 1.00 0.00 C ATOM 543 C ASP A 509 18.356 9.246 6.947 1.00 0.00 C ATOM 544 O ASP A 509 17.681 9.662 7.892 1.00 0.00 O ATOM 545 CB ASP A 509 17.812 10.606 4.900 1.00 0.00 C ATOM 546 CG ASP A 509 19.246 10.992 4.506 1.00 0.00 C ATOM 547 OD1 ASP A 509 19.648 10.707 3.352 1.00 0.00 O ATOM 548 OD2 ASP A 509 19.970 11.588 5.339 1.00 0.00 O ATOM 0 H ASP A 509 15.895 8.932 6.435 1.00 0.00 H new ATOM 0 HA ASP A 509 18.347 8.509 4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.171 10.637 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.419 11.337 5.607 1.00 0.00 H new ATOM 553 N ASP A 510 19.619 8.826 7.087 1.00 0.00 N ATOM 554 CA ASP A 510 20.282 8.549 8.372 1.00 0.00 C ATOM 555 C ASP A 510 21.805 8.836 8.338 1.00 0.00 C ATOM 556 O ASP A 510 22.630 8.059 8.832 1.00 0.00 O ATOM 557 CB ASP A 510 19.923 7.122 8.843 1.00 0.00 C ATOM 558 CG ASP A 510 20.120 6.030 7.774 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.255 5.523 7.603 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.124 5.637 7.116 1.00 0.00 O ATOM 0 H ASP A 510 20.229 8.664 6.286 1.00 0.00 H new ATOM 0 HA ASP A 510 19.902 9.246 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.532 6.876 9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.883 7.111 9.169 1.00 0.00 H new ATOM 565 N SER A 511 22.188 9.983 7.760 1.00 0.00 N ATOM 566 CA SER A 511 23.592 10.376 7.503 1.00 0.00 C ATOM 567 C SER A 511 24.067 11.558 8.368 1.00 0.00 C ATOM 568 O SER A 511 25.183 12.056 8.188 1.00 0.00 O ATOM 569 CB SER A 511 23.773 10.682 6.008 1.00 0.00 C ATOM 570 OG SER A 511 23.550 9.519 5.221 1.00 0.00 O ATOM 0 H SER A 511 21.517 10.685 7.448 1.00 0.00 H new ATOM 0 HA SER A 511 24.220 9.532 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.080 11.468 5.707 1.00 0.00 H new ATOM 0 HB3 SER A 511 24.780 11.059 5.829 1.00 0.00 H new ATOM 0 HG SER A 511 23.669 9.738 4.273 1.00 0.00 H new ATOM 576 N ARG A 512 23.228 12.006 9.314 1.00 0.00 N ATOM 577 CA ARG A 512 23.448 13.141 10.229 1.00 0.00 C ATOM 578 C ARG A 512 22.761 12.935 11.593 1.00 0.00 C ATOM 579 O ARG A 512 22.055 11.949 11.803 1.00 0.00 O ATOM 580 CB ARG A 512 22.912 14.424 9.558 1.00 0.00 C ATOM 581 CG ARG A 512 23.753 14.939 8.380 1.00 0.00 C ATOM 582 CD ARG A 512 23.433 16.427 8.185 1.00 0.00 C ATOM 583 NE ARG A 512 23.870 16.941 6.876 1.00 0.00 N ATOM 584 CZ ARG A 512 23.329 17.968 6.243 1.00 0.00 C ATOM 585 NH1 ARG A 512 22.352 18.665 6.757 1.00 0.00 N ATOM 586 NH2 ARG A 512 23.766 18.312 5.064 1.00 0.00 N ATOM 0 H ARG A 512 22.324 11.561 9.472 1.00 0.00 H new ATOM 0 HA ARG A 512 24.518 13.223 10.422 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.898 14.236 9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.848 15.210 10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.815 14.801 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.524 14.378 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.359 16.579 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.914 17.003 8.975 1.00 0.00 H new ATOM 0 HE ARG A 512 24.651 16.468 6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.982 18.423 7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 512 21.959 19.451 6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.526 17.789 4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 512 23.348 19.104 4.576 1.00 0.00 H new ATOM 600 N LYS A 513 22.925 13.914 12.495 1.00 0.00 N ATOM 601 CA LYS A 513 22.229 14.062 13.796 1.00 0.00 C ATOM 602 C LYS A 513 20.697 14.146 13.698 1.00 0.00 C ATOM 603 O LYS A 513 20.005 13.901 14.682 1.00 0.00 O ATOM 604 CB LYS A 513 22.718 15.356 14.462 1.00 0.00 C ATOM 605 CG LYS A 513 24.206 15.402 14.835 1.00 0.00 C ATOM 606 CD LYS A 513 24.541 14.711 16.167 1.00 0.00 C ATOM 607 CE LYS A 513 25.721 15.435 16.834 1.00 0.00 C ATOM 608 NZ LYS A 513 26.371 14.611 17.890 1.00 0.00 N ATOM 0 H LYS A 513 23.586 14.674 12.332 1.00 0.00 H new ATOM 0 HA LYS A 513 22.464 13.164 14.367 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.506 16.189 13.791 1.00 0.00 H new ATOM 0 HB3 LYS A 513 22.132 15.519 15.367 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.784 14.932 14.039 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.524 16.443 14.888 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.672 14.725 16.825 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.793 13.665 15.994 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.459 15.696 16.075 1.00 0.00 H new ATOM 0 HE3 LYS A 513 25.370 16.369 17.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.160 15.143 18.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 25.676 14.383 18.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.732 13.730 17.470 1.00 0.00 H new ATOM 622 N TRP A 514 20.153 14.513 12.542 1.00 0.00 N ATOM 623 CA TRP A 514 18.708 14.573 12.303 1.00 0.00 C ATOM 624 C TRP A 514 18.356 13.685 11.116 1.00 0.00 C ATOM 625 O TRP A 514 18.955 13.787 10.042 1.00 0.00 O ATOM 626 CB TRP A 514 18.248 16.011 12.059 1.00 0.00 C ATOM 627 CG TRP A 514 18.153 16.905 13.260 1.00 0.00 C ATOM 628 CD1 TRP A 514 19.177 17.281 14.062 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.979 17.621 13.758 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.722 18.188 14.999 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.374 18.432 14.859 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.626 17.712 13.363 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.477 19.278 15.524 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.707 18.536 14.043 1.00 0.00 C ATOM 635 CH2 TRP A 514 15.131 19.315 15.131 1.00 0.00 C ATOM 0 H TRP A 514 20.709 14.782 11.730 1.00 0.00 H new ATOM 0 HA TRP A 514 18.189 14.211 13.190 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.934 16.471 11.347 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.268 15.978 11.582 1.00 0.00 H new ATOM 0 HD1 TRP A 514 20.194 16.926 13.981 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.312 18.624 15.708 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.286 17.134 12.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.821 19.900 16.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.675 18.568 13.727 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.426 19.938 15.661 1.00 0.00 H new ATOM 646 N TRP A 515 17.399 12.788 11.337 1.00 0.00 N ATOM 647 CA TRP A 515 16.981 11.785 10.362 1.00 0.00 C ATOM 648 C TRP A 515 15.690 12.236 9.674 1.00 0.00 C ATOM 649 O TRP A 515 14.815 12.849 10.297 1.00 0.00 O ATOM 650 CB TRP A 515 16.814 10.429 11.063 1.00 0.00 C ATOM 651 CG TRP A 515 18.072 9.743 11.536 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.305 10.294 11.642 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.244 8.347 11.935 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.212 9.355 12.082 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.616 8.132 12.276 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.382 7.232 12.021 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.107 6.883 12.685 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.868 5.970 12.416 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.223 5.793 12.752 1.00 0.00 C ATOM 0 H TRP A 515 16.883 12.737 12.215 1.00 0.00 H new ATOM 0 HA TRP A 515 17.742 11.672 9.590 1.00 0.00 H new ATOM 0 HB2 TRP A 515 16.161 10.571 11.924 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.297 9.755 10.379 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.543 11.323 11.414 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.201 9.544 12.243 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.336 7.348 11.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.148 6.761 12.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.193 5.128 12.461 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.582 4.822 13.060 1.00 0.00 H new ATOM 670 N LYS A 516 15.571 11.930 8.379 1.00 0.00 N ATOM 671 CA LYS A 516 14.371 12.186 7.590 1.00 0.00 C ATOM 672 C LYS A 516 13.449 10.998 7.766 1.00 0.00 C ATOM 673 O LYS A 516 13.760 9.916 7.285 1.00 0.00 O ATOM 674 CB LYS A 516 14.744 12.434 6.123 1.00 0.00 C ATOM 675 CG LYS A 516 13.535 12.980 5.357 1.00 0.00 C ATOM 676 CD LYS A 516 13.909 13.379 3.926 1.00 0.00 C ATOM 677 CE LYS A 516 12.706 14.030 3.225 1.00 0.00 C ATOM 678 NZ LYS A 516 13.125 14.830 2.041 1.00 0.00 N ATOM 0 H LYS A 516 16.320 11.490 7.844 1.00 0.00 H new ATOM 0 HA LYS A 516 13.856 13.086 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.571 13.142 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.086 11.506 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.748 12.226 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.130 13.845 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.749 14.073 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.232 12.500 3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.005 13.256 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.178 14.672 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.287 15.254 1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.774 15.584 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.607 14.212 1.357 1.00 0.00 H new ATOM 692 N VAL A 517 12.351 11.181 8.482 1.00 0.00 N ATOM 693 CA VAL A 517 11.317 10.155 8.693 1.00 0.00 C ATOM 694 C VAL A 517 9.940 10.627 8.210 1.00 0.00 C ATOM 695 O VAL A 517 9.758 11.799 7.862 1.00 0.00 O ATOM 696 CB VAL A 517 11.262 9.668 10.163 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.636 9.355 10.776 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.561 10.666 11.089 1.00 0.00 C ATOM 0 H VAL A 517 12.140 12.064 8.947 1.00 0.00 H new ATOM 0 HA VAL A 517 11.604 9.298 8.084 1.00 0.00 H new ATOM 0 HB VAL A 517 10.689 8.743 10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.508 9.021 11.806 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.122 8.569 10.198 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.254 10.252 10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.551 10.274 12.106 1.00 0.00 H new ATOM 0 HG22 VAL A 517 11.095 11.616 11.072 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.537 10.820 10.750 1.00 0.00 H new ATOM 708 N ARG A 518 8.958 9.717 8.212 1.00 0.00 N ATOM 709 CA ARG A 518 7.561 9.987 7.846 1.00 0.00 C ATOM 710 C ARG A 518 6.596 9.500 8.925 1.00 0.00 C ATOM 711 O ARG A 518 6.704 8.365 9.396 1.00 0.00 O ATOM 712 CB ARG A 518 7.272 9.374 6.462 1.00 0.00 C ATOM 713 CG ARG A 518 5.843 9.677 5.979 1.00 0.00 C ATOM 714 CD ARG A 518 5.640 9.436 4.479 1.00 0.00 C ATOM 715 NE ARG A 518 5.252 8.048 4.172 1.00 0.00 N ATOM 716 CZ ARG A 518 4.829 7.613 2.996 1.00 0.00 C ATOM 717 NH1 ARG A 518 4.804 8.380 1.939 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.408 6.388 2.859 1.00 0.00 N ATOM 0 H ARG A 518 9.117 8.745 8.476 1.00 0.00 H new ATOM 0 HA ARG A 518 7.404 11.063 7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 518 7.988 9.762 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.417 8.295 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.141 9.057 6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.603 10.715 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.872 10.114 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.561 9.677 3.949 1.00 0.00 H new ATOM 0 HE ARG A 518 5.315 7.366 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.117 9.349 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.471 8.010 1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 518 4.403 5.758 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.083 6.059 1.950 1.00 0.00 H new ATOM 732 N ASP A 519 5.652 10.360 9.311 1.00 0.00 N ATOM 733 CA ASP A 519 4.577 10.010 10.240 1.00 0.00 C ATOM 734 C ASP A 519 3.532 9.092 9.578 1.00 0.00 C ATOM 735 O ASP A 519 3.338 9.153 8.359 1.00 0.00 O ATOM 736 CB ASP A 519 3.908 11.279 10.776 1.00 0.00 C ATOM 737 CG ASP A 519 4.539 11.787 12.076 1.00 0.00 C ATOM 738 OD1 ASP A 519 5.534 12.542 11.999 1.00 0.00 O ATOM 739 OD2 ASP A 519 3.998 11.454 13.159 1.00 0.00 O ATOM 0 H ASP A 519 5.612 11.326 8.985 1.00 0.00 H new ATOM 0 HA ASP A 519 5.020 9.461 11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.968 12.062 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.850 11.081 10.946 1.00 0.00 H new ATOM 744 N PRO A 520 2.772 8.310 10.369 1.00 0.00 N ATOM 745 CA PRO A 520 1.757 7.388 9.862 1.00 0.00 C ATOM 746 C PRO A 520 0.566 8.100 9.183 1.00 0.00 C ATOM 747 O PRO A 520 -0.241 7.455 8.507 1.00 0.00 O ATOM 748 CB PRO A 520 1.317 6.566 11.080 1.00 0.00 C ATOM 749 CG PRO A 520 1.565 7.508 12.255 1.00 0.00 C ATOM 750 CD PRO A 520 2.815 8.264 11.821 1.00 0.00 C ATOM 0 HA PRO A 520 2.167 6.761 9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.268 6.277 11.012 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.895 5.647 11.174 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.723 8.180 12.420 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.724 6.962 13.185 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.829 9.269 12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.716 7.760 12.169 1.00 0.00 H new ATOM 758 N ALA A 521 0.457 9.426 9.344 1.00 0.00 N ATOM 759 CA ALA A 521 -0.552 10.287 8.728 1.00 0.00 C ATOM 760 C ALA A 521 -0.172 10.755 7.307 1.00 0.00 C ATOM 761 O ALA A 521 -1.036 11.255 6.578 1.00 0.00 O ATOM 762 CB ALA A 521 -0.732 11.502 9.647 1.00 0.00 C ATOM 0 H ALA A 521 1.103 9.948 9.936 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.474 9.717 8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.479 12.172 9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.061 11.168 10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.217 12.030 9.742 1.00 0.00 H new ATOM 768 N GLY A 522 1.103 10.614 6.914 1.00 0.00 N ATOM 769 CA GLY A 522 1.589 10.950 5.571 1.00 0.00 C ATOM 770 C GLY A 522 2.447 12.211 5.468 1.00 0.00 C ATOM 771 O GLY A 522 2.370 12.909 4.454 1.00 0.00 O ATOM 0 H GLY A 522 1.834 10.258 7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.169 10.107 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.728 11.065 4.912 1.00 0.00 H new ATOM 775 N GLN A 523 3.225 12.536 6.504 1.00 0.00 N ATOM 776 CA GLN A 523 3.979 13.795 6.591 1.00 0.00 C ATOM 777 C GLN A 523 5.474 13.535 6.764 1.00 0.00 C ATOM 778 O GLN A 523 5.854 12.752 7.631 1.00 0.00 O ATOM 779 CB GLN A 523 3.479 14.611 7.788 1.00 0.00 C ATOM 780 CG GLN A 523 1.966 14.824 7.826 1.00 0.00 C ATOM 781 CD GLN A 523 1.586 16.089 8.599 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.083 17.060 8.044 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.827 16.153 9.893 1.00 0.00 N ATOM 0 H GLN A 523 3.352 11.929 7.314 1.00 0.00 H new ATOM 0 HA GLN A 523 3.824 14.344 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.785 14.109 8.706 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.970 15.584 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.584 14.892 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.489 13.959 8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 523 2.245 15.356 10.374 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.596 16.999 10.414 1.00 0.00 H new ATOM 792 N GLU A 524 6.312 14.211 5.976 1.00 0.00 N ATOM 793 CA GLU A 524 7.772 14.031 5.964 1.00 0.00 C ATOM 794 C GLU A 524 8.508 15.320 6.354 1.00 0.00 C ATOM 795 O GLU A 524 8.070 16.438 6.061 1.00 0.00 O ATOM 796 CB GLU A 524 8.276 13.577 4.586 1.00 0.00 C ATOM 797 CG GLU A 524 7.574 12.321 4.047 1.00 0.00 C ATOM 798 CD GLU A 524 6.977 12.517 2.639 1.00 0.00 C ATOM 799 OE1 GLU A 524 6.163 13.451 2.433 1.00 0.00 O ATOM 800 OE2 GLU A 524 7.284 11.708 1.729 1.00 0.00 O ATOM 0 H GLU A 524 5.991 14.916 5.312 1.00 0.00 H new ATOM 0 HA GLU A 524 7.986 13.257 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.139 14.391 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.347 13.384 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.287 11.497 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.779 12.033 4.735 1.00 0.00 H new ATOM 807 N GLY A 525 9.650 15.147 7.013 1.00 0.00 N ATOM 808 CA GLY A 525 10.469 16.216 7.575 1.00 0.00 C ATOM 809 C GLY A 525 11.620 15.623 8.380 1.00 0.00 C ATOM 810 O GLY A 525 11.920 14.432 8.264 1.00 0.00 O ATOM 0 H GLY A 525 10.046 14.221 7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.860 16.845 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.859 16.855 8.214 1.00 0.00 H new ATOM 814 N TYR A 526 12.244 16.439 9.221 1.00 0.00 N ATOM 815 CA TYR A 526 13.430 16.063 9.982 1.00 0.00 C ATOM 816 C TYR A 526 13.103 15.989 11.477 1.00 0.00 C ATOM 817 O TYR A 526 12.345 16.810 12.001 1.00 0.00 O ATOM 818 CB TYR A 526 14.543 17.080 9.702 1.00 0.00 C ATOM 819 CG TYR A 526 15.075 17.096 8.275 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.702 15.952 7.734 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.992 18.273 7.505 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.230 15.983 6.427 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.520 18.307 6.201 1.00 0.00 C ATOM 824 CZ TYR A 526 16.131 17.162 5.655 1.00 0.00 C ATOM 825 OH TYR A 526 16.622 17.200 4.387 1.00 0.00 O ATOM 0 H TYR A 526 11.936 17.395 9.396 1.00 0.00 H new ATOM 0 HA TYR A 526 13.771 15.074 9.675 1.00 0.00 H new ATOM 0 HB2 TYR A 526 14.170 18.075 9.943 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.374 16.878 10.378 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.777 15.050 8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.521 19.153 7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.709 15.107 6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.456 19.214 5.618 1.00 0.00 H new ATOM 0 HH TYR A 526 16.468 18.088 4.003 1.00 0.00 H new ATOM 835 N VAL A 527 13.711 15.025 12.172 1.00 0.00 N ATOM 836 CA VAL A 527 13.613 14.865 13.632 1.00 0.00 C ATOM 837 C VAL A 527 14.970 14.468 14.236 1.00 0.00 C ATOM 838 O VAL A 527 15.771 13.808 13.565 1.00 0.00 O ATOM 839 CB VAL A 527 12.539 13.829 14.032 1.00 0.00 C ATOM 840 CG1 VAL A 527 11.119 14.354 13.784 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.713 12.490 13.316 1.00 0.00 C ATOM 0 H VAL A 527 14.298 14.317 11.730 1.00 0.00 H new ATOM 0 HA VAL A 527 13.313 15.833 14.033 1.00 0.00 H new ATOM 0 HB VAL A 527 12.679 13.665 15.100 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.394 13.595 14.078 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.957 15.258 14.372 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.995 14.583 12.725 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.931 11.802 13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.644 12.642 12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.688 12.070 13.562 1.00 0.00 H new ATOM 851 N PRO A 528 15.248 14.844 15.496 1.00 0.00 N ATOM 852 CA PRO A 528 16.521 14.562 16.152 1.00 0.00 C ATOM 853 C PRO A 528 16.698 13.063 16.416 1.00 0.00 C ATOM 854 O PRO A 528 15.838 12.429 17.027 1.00 0.00 O ATOM 855 CB PRO A 528 16.475 15.380 17.448 1.00 0.00 C ATOM 856 CG PRO A 528 14.988 15.534 17.760 1.00 0.00 C ATOM 857 CD PRO A 528 14.376 15.620 16.370 1.00 0.00 C ATOM 0 HA PRO A 528 17.376 14.836 15.534 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.998 14.869 18.257 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.955 16.350 17.321 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.600 14.686 18.324 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.786 16.428 18.350 1.00 0.00 H new ATOM 0 HD2 PRO A 528 13.362 15.219 16.365 1.00 0.00 H new ATOM 0 HD3 PRO A 528 14.311 16.656 16.036 1.00 0.00 H new ATOM 865 N TYR A 529 17.843 12.489 16.037 1.00 0.00 N ATOM 866 CA TYR A 529 18.146 11.071 16.302 1.00 0.00 C ATOM 867 C TYR A 529 18.162 10.709 17.800 1.00 0.00 C ATOM 868 O TYR A 529 17.997 9.543 18.151 1.00 0.00 O ATOM 869 CB TYR A 529 19.468 10.646 15.637 1.00 0.00 C ATOM 870 CG TYR A 529 20.721 10.834 16.488 1.00 0.00 C ATOM 871 CD1 TYR A 529 21.030 12.096 17.028 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.541 9.733 16.806 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.124 12.271 17.897 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.653 9.897 17.659 1.00 0.00 C ATOM 875 CZ TYR A 529 22.947 11.167 18.209 1.00 0.00 C ATOM 876 OH TYR A 529 24.009 11.331 19.042 1.00 0.00 O ATOM 0 H TYR A 529 18.584 12.985 15.542 1.00 0.00 H new ATOM 0 HA TYR A 529 17.324 10.512 15.855 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.393 9.595 15.359 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.589 11.212 14.714 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.416 12.947 16.771 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.317 8.760 16.395 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.332 13.242 18.322 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.282 9.050 17.893 1.00 0.00 H new ATOM 0 HH TYR A 529 24.472 10.474 19.155 1.00 0.00 H new ATOM 886 N ASN A 530 18.319 11.697 18.695 1.00 0.00 N ATOM 887 CA ASN A 530 18.343 11.477 20.141 1.00 0.00 C ATOM 888 C ASN A 530 17.020 10.895 20.685 1.00 0.00 C ATOM 889 O ASN A 530 17.040 10.101 21.628 1.00 0.00 O ATOM 890 CB ASN A 530 18.696 12.810 20.822 1.00 0.00 C ATOM 891 CG ASN A 530 18.873 12.655 22.327 1.00 0.00 C ATOM 892 OD1 ASN A 530 19.465 11.708 22.826 1.00 0.00 O ATOM 893 ND2 ASN A 530 18.365 13.583 23.102 1.00 0.00 N ATOM 0 H ASN A 530 18.433 12.675 18.429 1.00 0.00 H new ATOM 0 HA ASN A 530 19.099 10.725 20.368 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.614 13.206 20.388 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.909 13.538 20.623 1.00 0.00 H new ATOM 0 HD21 ASN A 530 18.465 13.513 24.115 1.00 0.00 H new ATOM 0 HD22 ASN A 530 17.870 14.375 22.692 1.00 0.00 H new ATOM 900 N ILE A 531 15.876 11.246 20.073 1.00 0.00 N ATOM 901 CA ILE A 531 14.563 10.674 20.428 1.00 0.00 C ATOM 902 C ILE A 531 14.221 9.429 19.594 1.00 0.00 C ATOM 903 O ILE A 531 13.153 8.861 19.799 1.00 0.00 O ATOM 904 CB ILE A 531 13.421 11.727 20.401 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.946 12.064 18.969 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.860 12.997 21.156 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.864 13.148 18.888 1.00 0.00 C ATOM 0 H ILE A 531 15.834 11.933 19.320 1.00 0.00 H new ATOM 0 HA ILE A 531 14.651 10.344 21.463 1.00 0.00 H new ATOM 0 HB ILE A 531 12.561 11.288 20.907 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.807 12.385 18.382 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.565 11.155 18.504 1.00 0.00 H new ATOM 0 HG21 ILE A 531 13.054 13.731 21.133 1.00 0.00 H new ATOM 0 HG22 ILE A 531 14.091 12.744 22.191 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.746 13.416 20.679 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.595 13.316 17.845 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.983 12.825 19.443 1.00 0.00 H new ATOM 0 HD13 ILE A 531 12.244 14.074 19.318 1.00 0.00 H new ATOM 919 N LEU A 532 15.086 8.996 18.669 1.00 0.00 N ATOM 920 CA LEU A 532 14.860 7.829 17.811 1.00 0.00 C ATOM 921 C LEU A 532 15.696 6.628 18.285 1.00 0.00 C ATOM 922 O LEU A 532 16.910 6.732 18.481 1.00 0.00 O ATOM 923 CB LEU A 532 15.199 8.188 16.350 1.00 0.00 C ATOM 924 CG LEU A 532 14.363 9.333 15.739 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.843 9.613 14.310 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.863 9.020 15.731 1.00 0.00 C ATOM 0 H LEU A 532 15.979 9.456 18.493 1.00 0.00 H new ATOM 0 HA LEU A 532 13.809 7.545 17.873 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.253 8.461 16.296 1.00 0.00 H new ATOM 0 HB3 LEU A 532 15.069 7.297 15.735 1.00 0.00 H new ATOM 0 HG LEU A 532 14.507 10.214 16.364 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.252 10.422 13.880 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.894 9.902 14.329 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.725 8.715 13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.319 9.856 15.292 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.682 8.120 15.143 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.519 8.861 16.753 1.00 0.00 H new ATOM 938 N THR A 533 15.059 5.461 18.410 1.00 0.00 N ATOM 939 CA THR A 533 15.707 4.197 18.810 1.00 0.00 C ATOM 940 C THR A 533 15.436 3.089 17.774 1.00 0.00 C ATOM 941 O THR A 533 14.328 3.028 17.230 1.00 0.00 O ATOM 942 CB THR A 533 15.276 3.791 20.237 1.00 0.00 C ATOM 943 OG1 THR A 533 15.778 2.535 20.634 1.00 0.00 O ATOM 944 CG2 THR A 533 13.768 3.703 20.420 1.00 0.00 C ATOM 0 H THR A 533 14.059 5.360 18.234 1.00 0.00 H new ATOM 0 HA THR A 533 16.786 4.348 18.834 1.00 0.00 H new ATOM 0 HB THR A 533 15.692 4.593 20.847 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.474 2.334 21.544 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.542 3.413 21.446 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.319 4.674 20.210 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.361 2.959 19.735 1.00 0.00 H new ATOM 952 N PRO A 534 16.416 2.206 17.484 1.00 0.00 N ATOM 953 CA PRO A 534 16.280 1.112 16.520 1.00 0.00 C ATOM 954 C PRO A 534 15.241 0.083 16.992 1.00 0.00 C ATOM 955 O PRO A 534 15.502 -0.708 17.904 1.00 0.00 O ATOM 956 CB PRO A 534 17.688 0.517 16.374 1.00 0.00 C ATOM 957 CG PRO A 534 18.361 0.837 17.709 1.00 0.00 C ATOM 958 CD PRO A 534 17.750 2.186 18.074 1.00 0.00 C ATOM 0 HA PRO A 534 15.910 1.456 15.554 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.651 -0.557 16.192 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.226 0.964 15.538 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.148 0.078 18.462 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.445 0.896 17.613 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.698 2.309 19.156 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.358 3.005 17.689 1.00 0.00 H new