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= 1.05 K(o=2.3,f=-3.4!) USER MOD Set 1.2: A 495 SER OG : rot -83:sc= 1.27 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= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 37:sc= 0.298 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 511 SER OG : rot -39:sc= 0.319 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) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.117 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.576 2.275 7.787 1.00 0.00 N ATOM 75 CA LYS A 481 14.124 1.307 8.807 1.00 0.00 C ATOM 76 C LYS A 481 13.090 1.930 9.748 1.00 0.00 C ATOM 77 O LYS A 481 12.850 3.140 9.723 1.00 0.00 O ATOM 78 CB LYS A 481 15.342 0.757 9.594 1.00 0.00 C ATOM 79 CG LYS A 481 15.097 -0.655 10.172 1.00 0.00 C ATOM 80 CD LYS A 481 16.155 -1.686 9.750 1.00 0.00 C ATOM 81 CE LYS A 481 17.534 -1.395 10.356 1.00 0.00 C ATOM 82 NZ LYS A 481 18.536 -2.410 9.930 1.00 0.00 N ATOM 0 HA LYS A 481 13.635 0.475 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.211 0.729 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.581 1.441 10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 481 15.075 -0.594 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.115 -1.004 9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.830 -2.681 10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.234 -1.696 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 481 17.866 -0.403 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 481 17.461 -1.386 11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 19.458 -2.187 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 18.229 -3.353 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 18.621 -2.400 8.894 1.00 0.00 H new ATOM 96 N TRP A 482 12.482 1.085 10.575 1.00 0.00 N ATOM 97 CA TRP A 482 11.502 1.459 11.589 1.00 0.00 C ATOM 98 C TRP A 482 12.204 1.902 12.882 1.00 0.00 C ATOM 99 O TRP A 482 13.130 1.235 13.355 1.00 0.00 O ATOM 100 CB TRP A 482 10.578 0.258 11.864 1.00 0.00 C ATOM 101 CG TRP A 482 10.283 -0.649 10.703 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.418 -1.995 10.709 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.865 -0.300 9.346 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.124 -2.500 9.459 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.799 -1.498 8.571 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.564 0.911 8.686 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.467 -1.496 7.208 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.244 0.924 7.315 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.194 -0.272 6.574 1.00 0.00 C ATOM 0 H TRP A 482 12.666 0.082 10.556 1.00 0.00 H new ATOM 0 HA TRP A 482 10.909 2.298 11.224 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.026 -0.340 12.658 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.631 0.638 12.247 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.712 -2.586 11.564 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.145 -3.492 9.222 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.579 1.838 9.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.422 -2.422 6.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.034 1.864 6.825 1.00 0.00 H new ATOM 0 HH2 TRP A 482 8.947 -0.249 5.523 1.00 0.00 H new ATOM 120 N VAL A 483 11.738 2.999 13.480 1.00 0.00 N ATOM 121 CA VAL A 483 12.250 3.520 14.760 1.00 0.00 C ATOM 122 C VAL A 483 11.111 3.995 15.657 1.00 0.00 C ATOM 123 O VAL A 483 10.194 4.683 15.204 1.00 0.00 O ATOM 124 CB VAL A 483 13.270 4.660 14.569 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.584 4.164 13.961 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.743 5.805 13.695 1.00 0.00 C ATOM 0 H VAL A 483 10.984 3.563 13.088 1.00 0.00 H new ATOM 0 HA VAL A 483 12.765 2.689 15.242 1.00 0.00 H new ATOM 0 HB VAL A 483 13.445 5.039 15.576 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.271 5.002 13.845 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.030 3.417 14.618 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.388 3.718 12.986 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.510 6.574 13.601 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.491 5.422 12.706 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.853 6.235 14.156 1.00 0.00 H new ATOM 136 N LEU A 484 11.171 3.619 16.934 1.00 0.00 N ATOM 137 CA LEU A 484 10.239 4.059 17.973 1.00 0.00 C ATOM 138 C LEU A 484 10.663 5.429 18.521 1.00 0.00 C ATOM 139 O LEU A 484 11.851 5.699 18.705 1.00 0.00 O ATOM 140 CB LEU A 484 10.219 2.973 19.065 1.00 0.00 C ATOM 141 CG LEU A 484 9.378 3.270 20.318 1.00 0.00 C ATOM 142 CD1 LEU A 484 7.898 3.436 19.971 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.516 2.137 21.334 1.00 0.00 C ATOM 0 H LEU A 484 11.888 2.983 17.284 1.00 0.00 H new ATOM 0 HA LEU A 484 9.232 4.186 17.575 1.00 0.00 H new ATOM 0 HB2 LEU A 484 9.851 2.049 18.619 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.246 2.788 19.380 1.00 0.00 H new ATOM 0 HG LEU A 484 9.751 4.202 20.743 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.333 3.645 20.879 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.779 4.263 19.271 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.526 2.518 19.515 1.00 0.00 H new ATOM 0 HD21 LEU A 484 8.915 2.363 22.215 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.170 1.204 20.888 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.561 2.035 21.625 1.00 0.00 H new ATOM 155 N CYS A 485 9.680 6.271 18.827 1.00 0.00 N ATOM 156 CA CYS A 485 9.856 7.515 19.560 1.00 0.00 C ATOM 157 C CYS A 485 9.928 7.228 21.067 1.00 0.00 C ATOM 158 O CYS A 485 8.944 6.813 21.681 1.00 0.00 O ATOM 159 CB CYS A 485 8.698 8.452 19.193 1.00 0.00 C ATOM 160 SG CYS A 485 9.150 9.389 17.706 1.00 0.00 S ATOM 0 H CYS A 485 8.710 6.098 18.562 1.00 0.00 H new ATOM 0 HA CYS A 485 10.793 8.003 19.291 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.790 7.877 19.015 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.488 9.132 20.018 1.00 0.00 H new ATOM 0 HG CYS A 485 8.077 9.670 17.027 1.00 0.00 H new ATOM 166 N ASN A 486 11.099 7.445 21.665 1.00 0.00 N ATOM 167 CA ASN A 486 11.336 7.336 23.108 1.00 0.00 C ATOM 168 C ASN A 486 10.749 8.530 23.898 1.00 0.00 C ATOM 169 O ASN A 486 10.409 8.388 25.075 1.00 0.00 O ATOM 170 CB ASN A 486 12.856 7.204 23.340 1.00 0.00 C ATOM 171 CG ASN A 486 13.178 6.067 24.291 1.00 0.00 C ATOM 172 OD1 ASN A 486 13.493 6.253 25.459 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.095 4.845 23.811 1.00 0.00 N ATOM 0 H ASN A 486 11.936 7.710 21.145 1.00 0.00 H new ATOM 0 HA ASN A 486 10.820 6.452 23.484 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.357 7.035 22.387 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.246 8.138 23.744 1.00 0.00 H new ATOM 0 HD21 ASN A 486 13.294 4.046 24.413 1.00 0.00 H new ATOM 0 HD22 ASN A 486 12.832 4.697 22.837 1.00 0.00 H new ATOM 180 N TYR A 487 10.595 9.685 23.234 1.00 0.00 N ATOM 181 CA TYR A 487 10.064 10.950 23.773 1.00 0.00 C ATOM 182 C TYR A 487 9.172 11.657 22.732 1.00 0.00 C ATOM 183 O TYR A 487 9.218 11.341 21.541 1.00 0.00 O ATOM 184 CB TYR A 487 11.219 11.873 24.198 1.00 0.00 C ATOM 185 CG TYR A 487 12.257 11.231 25.106 1.00 0.00 C ATOM 186 CD1 TYR A 487 11.965 10.996 26.464 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.504 10.845 24.580 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.916 10.366 27.292 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.458 10.217 25.401 1.00 0.00 C ATOM 190 CZ TYR A 487 14.165 9.972 26.760 1.00 0.00 C ATOM 191 OH TYR A 487 15.088 9.360 27.552 1.00 0.00 O ATOM 0 H TYR A 487 10.852 9.768 22.250 1.00 0.00 H new ATOM 0 HA TYR A 487 9.455 10.721 24.647 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.720 12.239 23.302 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.801 12.742 24.707 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.012 11.299 26.871 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.730 11.032 23.541 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.690 10.184 28.332 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.413 9.923 24.992 1.00 0.00 H new ATOM 0 HH TYR A 487 15.888 9.157 27.024 1.00 0.00 H new ATOM 201 N ASP A 488 8.348 12.609 23.175 1.00 0.00 N ATOM 202 CA ASP A 488 7.521 13.461 22.307 1.00 0.00 C ATOM 203 C ASP A 488 8.276 14.708 21.791 1.00 0.00 C ATOM 204 O ASP A 488 9.275 15.141 22.379 1.00 0.00 O ATOM 205 CB ASP A 488 6.243 13.873 23.057 1.00 0.00 C ATOM 206 CG ASP A 488 6.517 14.832 24.229 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.913 14.355 25.320 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.306 16.059 24.069 1.00 0.00 O ATOM 0 H ASP A 488 8.232 12.816 24.167 1.00 0.00 H new ATOM 0 HA ASP A 488 7.261 12.875 21.426 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.556 14.349 22.358 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.746 12.980 23.434 1.00 0.00 H new ATOM 213 N PHE A 489 7.782 15.297 20.697 1.00 0.00 N ATOM 214 CA PHE A 489 8.360 16.461 20.017 1.00 0.00 C ATOM 215 C PHE A 489 7.307 17.224 19.180 1.00 0.00 C ATOM 216 O PHE A 489 6.281 16.667 18.783 1.00 0.00 O ATOM 217 CB PHE A 489 9.519 15.961 19.138 1.00 0.00 C ATOM 218 CG PHE A 489 10.261 17.042 18.382 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.895 18.086 19.085 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.276 17.034 16.973 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.512 19.134 18.383 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.914 18.071 16.272 1.00 0.00 C ATOM 223 CZ PHE A 489 11.524 19.122 16.977 1.00 0.00 C ATOM 0 H PHE A 489 6.933 14.962 20.242 1.00 0.00 H new ATOM 0 HA PHE A 489 8.726 17.173 20.756 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.229 15.427 19.769 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.126 15.241 18.420 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.906 18.080 20.165 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.797 16.231 16.432 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.976 19.947 18.922 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.935 18.060 15.192 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.004 19.924 16.437 1.00 0.00 H new ATOM 233 N GLN A 490 7.558 18.501 18.879 1.00 0.00 N ATOM 234 CA GLN A 490 6.621 19.404 18.191 1.00 0.00 C ATOM 235 C GLN A 490 7.324 20.165 17.062 1.00 0.00 C ATOM 236 O GLN A 490 8.412 20.707 17.256 1.00 0.00 O ATOM 237 CB GLN A 490 6.037 20.407 19.198 1.00 0.00 C ATOM 238 CG GLN A 490 5.004 19.759 20.128 1.00 0.00 C ATOM 239 CD GLN A 490 4.562 20.707 21.245 1.00 0.00 C ATOM 240 OE1 GLN A 490 4.200 21.858 21.026 1.00 0.00 O ATOM 241 NE2 GLN A 490 4.584 20.272 22.490 1.00 0.00 N ATOM 0 H GLN A 490 8.443 18.951 19.112 1.00 0.00 H new ATOM 0 HA GLN A 490 5.820 18.804 17.759 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.844 20.832 19.794 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.571 21.231 18.658 1.00 0.00 H new ATOM 0 HG2 GLN A 490 4.134 19.454 19.546 1.00 0.00 H new ATOM 0 HG3 GLN A 490 5.428 18.855 20.566 1.00 0.00 H new ATOM 0 HE21 GLN A 490 4.882 19.318 22.692 1.00 0.00 H new ATOM 0 HE22 GLN A 490 4.303 20.890 23.251 1.00 0.00 H new ATOM 250 N ALA A 491 6.676 20.238 15.894 1.00 0.00 N ATOM 251 CA ALA A 491 7.245 20.892 14.717 1.00 0.00 C ATOM 252 C ALA A 491 7.228 22.420 14.872 1.00 0.00 C ATOM 253 O ALA A 491 6.173 23.057 14.781 1.00 0.00 O ATOM 254 CB ALA A 491 6.508 20.460 13.443 1.00 0.00 C ATOM 0 H ALA A 491 5.747 19.846 15.741 1.00 0.00 H new ATOM 0 HA ALA A 491 8.285 20.578 14.628 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.949 20.960 12.580 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.595 19.380 13.321 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.456 20.733 13.521 1.00 0.00 H new ATOM 260 N ARG A 492 8.400 23.019 15.094 1.00 0.00 N ATOM 261 CA ARG A 492 8.577 24.478 15.136 1.00 0.00 C ATOM 262 C ARG A 492 8.533 25.121 13.740 1.00 0.00 C ATOM 263 O ARG A 492 8.367 26.338 13.639 1.00 0.00 O ATOM 264 CB ARG A 492 9.882 24.830 15.880 1.00 0.00 C ATOM 265 CG ARG A 492 10.106 24.132 17.240 1.00 0.00 C ATOM 266 CD ARG A 492 8.906 24.124 18.199 1.00 0.00 C ATOM 267 NE ARG A 492 8.370 25.478 18.458 1.00 0.00 N ATOM 268 CZ ARG A 492 8.884 26.404 19.251 1.00 0.00 C ATOM 269 NH1 ARG A 492 9.962 26.201 19.958 1.00 0.00 N ATOM 270 NH2 ARG A 492 8.315 27.571 19.349 1.00 0.00 N ATOM 0 H ARG A 492 9.265 22.501 15.252 1.00 0.00 H new ATOM 0 HA ARG A 492 7.734 24.897 15.686 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.722 24.588 15.229 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.903 25.908 16.041 1.00 0.00 H new ATOM 0 HG2 ARG A 492 10.402 23.100 17.052 1.00 0.00 H new ATOM 0 HG3 ARG A 492 10.943 24.617 17.741 1.00 0.00 H new ATOM 0 HD2 ARG A 492 8.117 23.500 17.781 1.00 0.00 H new ATOM 0 HD3 ARG A 492 9.205 23.670 19.144 1.00 0.00 H new ATOM 0 HE ARG A 492 7.508 25.725 17.971 1.00 0.00 H new ATOM 0 HH11 ARG A 492 10.441 25.302 19.911 1.00 0.00 H new ATOM 0 HH12 ARG A 492 10.326 26.942 20.557 1.00 0.00 H new ATOM 0 HH21 ARG A 492 7.471 27.773 18.814 1.00 0.00 H new ATOM 0 HH22 ARG A 492 8.714 28.283 19.961 1.00 0.00 H new ATOM 284 N ASN A 493 8.667 24.322 12.672 1.00 0.00 N ATOM 285 CA ASN A 493 8.594 24.752 11.266 1.00 0.00 C ATOM 286 C ASN A 493 8.345 23.579 10.295 1.00 0.00 C ATOM 287 O ASN A 493 8.411 22.412 10.678 1.00 0.00 O ATOM 288 CB ASN A 493 9.892 25.490 10.876 1.00 0.00 C ATOM 289 CG ASN A 493 11.156 24.736 11.212 1.00 0.00 C ATOM 290 OD1 ASN A 493 11.577 23.882 10.451 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.794 25.020 12.324 1.00 0.00 N ATOM 0 H ASN A 493 8.836 23.320 12.766 1.00 0.00 H new ATOM 0 HA ASN A 493 7.740 25.424 11.180 1.00 0.00 H new ATOM 0 HB2 ASN A 493 9.875 25.690 9.805 1.00 0.00 H new ATOM 0 HB3 ASN A 493 9.913 26.456 11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 493 12.653 24.524 12.560 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.430 25.737 12.952 1.00 0.00 H new ATOM 298 N SER A 494 8.109 23.893 9.018 1.00 0.00 N ATOM 299 CA SER A 494 7.856 22.920 7.941 1.00 0.00 C ATOM 300 C SER A 494 9.053 22.036 7.547 1.00 0.00 C ATOM 301 O SER A 494 8.845 21.020 6.882 1.00 0.00 O ATOM 302 CB SER A 494 7.350 23.635 6.693 1.00 0.00 C ATOM 303 OG SER A 494 6.233 24.458 6.995 1.00 0.00 O ATOM 0 H SER A 494 8.087 24.859 8.691 1.00 0.00 H new ATOM 0 HA SER A 494 7.107 22.247 8.358 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.149 24.242 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.071 22.901 5.937 1.00 0.00 H new ATOM 0 HG SER A 494 5.928 24.907 6.179 1.00 0.00 H new ATOM 309 N SER A 495 10.298 22.376 7.933 1.00 0.00 N ATOM 310 CA SER A 495 11.420 21.423 7.787 1.00 0.00 C ATOM 311 C SER A 495 11.273 20.220 8.720 1.00 0.00 C ATOM 312 O SER A 495 11.767 19.136 8.415 1.00 0.00 O ATOM 313 CB SER A 495 12.801 22.070 7.988 1.00 0.00 C ATOM 314 OG SER A 495 13.193 22.212 9.339 1.00 0.00 O ATOM 0 H SER A 495 10.551 23.278 8.338 1.00 0.00 H new ATOM 0 HA SER A 495 11.367 21.080 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.548 21.470 7.468 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.799 23.054 7.519 1.00 0.00 H new ATOM 0 HG SER A 495 12.801 23.031 9.709 1.00 0.00 H new ATOM 320 N GLU A 496 10.554 20.385 9.830 1.00 0.00 N ATOM 321 CA GLU A 496 10.398 19.367 10.876 1.00 0.00 C ATOM 322 C GLU A 496 8.947 18.879 11.035 1.00 0.00 C ATOM 323 O GLU A 496 8.047 19.259 10.279 1.00 0.00 O ATOM 324 CB GLU A 496 11.033 19.851 12.193 1.00 0.00 C ATOM 325 CG GLU A 496 10.570 21.236 12.634 1.00 0.00 C ATOM 326 CD GLU A 496 11.387 21.720 13.841 1.00 0.00 C ATOM 327 OE1 GLU A 496 12.540 22.190 13.666 1.00 0.00 O ATOM 328 OE2 GLU A 496 10.852 21.656 14.968 1.00 0.00 O ATOM 0 H GLU A 496 10.051 21.249 10.034 1.00 0.00 H new ATOM 0 HA GLU A 496 10.944 18.478 10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.802 19.134 12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 496 12.117 19.861 12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.677 21.941 11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.512 21.206 12.893 1.00 0.00 H new ATOM 335 N LEU A 497 8.739 17.972 11.992 1.00 0.00 N ATOM 336 CA LEU A 497 7.486 17.248 12.221 1.00 0.00 C ATOM 337 C LEU A 497 7.176 17.054 13.714 1.00 0.00 C ATOM 338 O LEU A 497 8.050 17.159 14.574 1.00 0.00 O ATOM 339 CB LEU A 497 7.554 15.875 11.526 1.00 0.00 C ATOM 340 CG LEU A 497 7.483 15.895 9.991 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.716 14.471 9.493 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.125 16.370 9.459 1.00 0.00 C ATOM 0 H LEU A 497 9.468 17.711 12.656 1.00 0.00 H new ATOM 0 HA LEU A 497 6.681 17.852 11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.482 15.386 11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.736 15.259 11.900 1.00 0.00 H new ATOM 0 HG LEU A 497 8.238 16.595 9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.671 14.454 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.697 14.127 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 497 6.947 13.814 9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.138 16.362 8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.341 15.703 9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.930 17.383 9.812 1.00 0.00 H new ATOM 354 N SER A 498 5.904 16.770 14.008 1.00 0.00 N ATOM 355 CA SER A 498 5.352 16.630 15.361 1.00 0.00 C ATOM 356 C SER A 498 5.017 15.163 15.640 1.00 0.00 C ATOM 357 O SER A 498 4.140 14.588 14.988 1.00 0.00 O ATOM 358 CB SER A 498 4.100 17.506 15.526 1.00 0.00 C ATOM 359 OG SER A 498 3.136 17.256 14.516 1.00 0.00 O ATOM 0 H SER A 498 5.202 16.625 13.282 1.00 0.00 H new ATOM 0 HA SER A 498 6.100 16.964 16.080 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.656 17.322 16.504 1.00 0.00 H new ATOM 0 HB3 SER A 498 4.388 18.557 15.500 1.00 0.00 H new ATOM 0 HG SER A 498 3.132 16.301 14.297 1.00 0.00 H new ATOM 365 N VAL A 499 5.709 14.569 16.612 1.00 0.00 N ATOM 366 CA VAL A 499 5.652 13.134 16.933 1.00 0.00 C ATOM 367 C VAL A 499 5.509 12.937 18.441 1.00 0.00 C ATOM 368 O VAL A 499 5.844 13.819 19.233 1.00 0.00 O ATOM 369 CB VAL A 499 6.891 12.374 16.397 1.00 0.00 C ATOM 370 CG1 VAL A 499 7.023 12.478 14.873 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.215 12.843 17.012 1.00 0.00 C ATOM 0 H VAL A 499 6.346 15.085 17.219 1.00 0.00 H new ATOM 0 HA VAL A 499 4.777 12.716 16.436 1.00 0.00 H new ATOM 0 HB VAL A 499 6.712 11.340 16.692 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.906 11.929 14.546 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.137 12.054 14.401 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.120 13.525 14.587 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.037 12.266 16.589 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.363 13.900 16.793 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.187 12.696 18.092 1.00 0.00 H new ATOM 381 N LYS A 500 5.031 11.770 18.866 1.00 0.00 N ATOM 382 CA LYS A 500 4.788 11.456 20.281 1.00 0.00 C ATOM 383 C LYS A 500 5.536 10.183 20.652 1.00 0.00 C ATOM 384 O LYS A 500 5.742 9.303 19.816 1.00 0.00 O ATOM 385 CB LYS A 500 3.277 11.330 20.551 1.00 0.00 C ATOM 386 CG LYS A 500 2.503 12.602 20.163 1.00 0.00 C ATOM 387 CD LYS A 500 1.006 12.469 20.474 1.00 0.00 C ATOM 388 CE LYS A 500 0.197 13.618 19.856 1.00 0.00 C ATOM 389 NZ LYS A 500 0.458 14.928 20.516 1.00 0.00 N ATOM 0 H LYS A 500 4.797 11.004 18.234 1.00 0.00 H new ATOM 0 HA LYS A 500 5.161 12.267 20.907 1.00 0.00 H new ATOM 0 HB2 LYS A 500 2.880 10.482 19.992 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.116 11.118 21.608 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.913 13.456 20.702 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.638 12.801 19.100 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.637 11.517 20.092 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.858 12.458 21.554 1.00 0.00 H new ATOM 0 HE2 LYS A 500 0.437 13.696 18.796 1.00 0.00 H new ATOM 0 HE3 LYS A 500 -0.866 13.387 19.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -0.114 15.667 20.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 0.204 14.866 21.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 1.466 15.166 20.428 1.00 0.00 H new ATOM 403 N GLN A 501 5.943 10.080 21.915 1.00 0.00 N ATOM 404 CA GLN A 501 6.485 8.833 22.447 1.00 0.00 C ATOM 405 C GLN A 501 5.517 7.662 22.226 1.00 0.00 C ATOM 406 O GLN A 501 4.294 7.842 22.210 1.00 0.00 O ATOM 407 CB GLN A 501 6.894 8.972 23.920 1.00 0.00 C ATOM 408 CG GLN A 501 5.801 9.546 24.837 1.00 0.00 C ATOM 409 CD GLN A 501 6.127 9.315 26.312 1.00 0.00 C ATOM 410 OE1 GLN A 501 5.937 8.231 26.852 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.623 10.307 27.024 1.00 0.00 N ATOM 0 H GLN A 501 5.908 10.845 22.589 1.00 0.00 H new ATOM 0 HA GLN A 501 7.394 8.608 21.889 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.187 7.992 24.296 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.774 9.613 23.980 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.693 10.614 24.651 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.844 9.082 24.598 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.787 11.215 26.589 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.843 10.167 28.010 1.00 0.00 H new ATOM 420 N ARG A 502 6.089 6.461 22.080 1.00 0.00 N ATOM 421 CA ARG A 502 5.383 5.192 21.831 1.00 0.00 C ATOM 422 C ARG A 502 4.796 5.063 20.408 1.00 0.00 C ATOM 423 O ARG A 502 3.976 4.175 20.162 1.00 0.00 O ATOM 424 CB ARG A 502 4.335 4.889 22.931 1.00 0.00 C ATOM 425 CG ARG A 502 4.772 5.146 24.388 1.00 0.00 C ATOM 426 CD ARG A 502 5.937 4.265 24.854 1.00 0.00 C ATOM 427 NE ARG A 502 5.532 2.850 24.970 1.00 0.00 N ATOM 428 CZ ARG A 502 6.318 1.815 25.204 1.00 0.00 C ATOM 429 NH1 ARG A 502 7.608 1.940 25.347 1.00 0.00 N ATOM 430 NH2 ARG A 502 5.814 0.619 25.303 1.00 0.00 N ATOM 0 H ARG A 502 7.100 6.338 22.134 1.00 0.00 H new ATOM 0 HA ARG A 502 6.149 4.419 21.887 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.447 5.488 22.730 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.040 3.843 22.843 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.057 6.193 24.492 1.00 0.00 H new ATOM 0 HG3 ARG A 502 3.919 4.981 25.047 1.00 0.00 H new ATOM 0 HD2 ARG A 502 6.764 4.351 24.150 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.301 4.621 25.818 1.00 0.00 H new ATOM 0 HE ARG A 502 4.538 2.650 24.857 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.042 2.861 25.279 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.183 1.117 25.527 1.00 0.00 H new ATOM 0 HH21 ARG A 502 4.809 0.479 25.200 1.00 0.00 H new ATOM 0 HH22 ARG A 502 6.424 -0.178 25.484 1.00 0.00 H new ATOM 444 N ASP A 503 5.241 5.902 19.466 1.00 0.00 N ATOM 445 CA ASP A 503 4.896 5.824 18.035 1.00 0.00 C ATOM 446 C ASP A 503 6.102 5.343 17.214 1.00 0.00 C ATOM 447 O ASP A 503 7.244 5.622 17.576 1.00 0.00 O ATOM 448 CB ASP A 503 4.452 7.199 17.497 1.00 0.00 C ATOM 449 CG ASP A 503 3.065 7.667 17.976 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.239 6.840 18.437 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.759 8.873 17.812 1.00 0.00 O ATOM 0 H ASP A 503 5.869 6.677 19.680 1.00 0.00 H new ATOM 0 HA ASP A 503 4.075 5.114 17.937 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.192 7.944 17.791 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.451 7.163 16.408 1.00 0.00 H new ATOM 456 N VAL A 504 5.859 4.675 16.080 1.00 0.00 N ATOM 457 CA VAL A 504 6.906 4.173 15.169 1.00 0.00 C ATOM 458 C VAL A 504 6.816 4.858 13.800 1.00 0.00 C ATOM 459 O VAL A 504 5.720 5.102 13.285 1.00 0.00 O ATOM 460 CB VAL A 504 6.881 2.630 15.086 1.00 0.00 C ATOM 461 CG1 VAL A 504 5.569 2.058 14.535 1.00 0.00 C ATOM 462 CG2 VAL A 504 8.039 2.065 14.252 1.00 0.00 C ATOM 0 H VAL A 504 4.914 4.462 15.760 1.00 0.00 H new ATOM 0 HA VAL A 504 7.881 4.436 15.578 1.00 0.00 H new ATOM 0 HB VAL A 504 6.985 2.315 16.124 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.630 0.970 14.508 1.00 0.00 H new ATOM 0 HG12 VAL A 504 4.742 2.359 15.178 1.00 0.00 H new ATOM 0 HG13 VAL A 504 5.402 2.437 13.527 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.973 0.977 14.227 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.980 2.456 13.236 1.00 0.00 H new ATOM 0 HG23 VAL A 504 8.988 2.360 14.700 1.00 0.00 H new ATOM 472 N LEU A 505 7.975 5.196 13.221 1.00 0.00 N ATOM 473 CA LEU A 505 8.106 6.010 12.002 1.00 0.00 C ATOM 474 C LEU A 505 9.092 5.365 11.016 1.00 0.00 C ATOM 475 O LEU A 505 10.031 4.669 11.409 1.00 0.00 O ATOM 476 CB LEU A 505 8.552 7.447 12.360 1.00 0.00 C ATOM 477 CG LEU A 505 7.718 8.146 13.458 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.478 9.362 13.972 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.338 8.620 12.980 1.00 0.00 C ATOM 0 H LEU A 505 8.876 4.902 13.598 1.00 0.00 H new ATOM 0 HA LEU A 505 7.131 6.061 11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.593 7.417 12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.516 8.056 11.457 1.00 0.00 H new ATOM 0 HG LEU A 505 7.559 7.400 14.237 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.892 9.857 14.746 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.434 9.044 14.388 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.652 10.056 13.150 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.812 9.100 13.805 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.460 9.332 12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.760 7.764 12.631 1.00 0.00 H new ATOM 491 N GLU A 506 8.874 5.615 9.725 1.00 0.00 N ATOM 492 CA GLU A 506 9.718 5.145 8.622 1.00 0.00 C ATOM 493 C GLU A 506 10.807 6.180 8.307 1.00 0.00 C ATOM 494 O GLU A 506 10.503 7.264 7.810 1.00 0.00 O ATOM 495 CB GLU A 506 8.813 4.893 7.402 1.00 0.00 C ATOM 496 CG GLU A 506 9.581 4.564 6.114 1.00 0.00 C ATOM 497 CD GLU A 506 8.628 4.121 4.984 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.572 4.768 4.768 1.00 0.00 O ATOM 499 OE2 GLU A 506 8.936 3.118 4.295 1.00 0.00 O ATOM 0 H GLU A 506 8.079 6.169 9.406 1.00 0.00 H new ATOM 0 HA GLU A 506 10.224 4.219 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.135 4.070 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.197 5.776 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.146 5.439 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.304 3.773 6.312 1.00 0.00 H new ATOM 506 N VAL A 507 12.073 5.863 8.598 1.00 0.00 N ATOM 507 CA VAL A 507 13.231 6.688 8.206 1.00 0.00 C ATOM 508 C VAL A 507 13.528 6.515 6.708 1.00 0.00 C ATOM 509 O VAL A 507 13.317 5.444 6.138 1.00 0.00 O ATOM 510 CB VAL A 507 14.491 6.335 9.036 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.659 7.281 8.757 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.243 6.288 10.546 1.00 0.00 C ATOM 0 H VAL A 507 12.329 5.022 9.115 1.00 0.00 H new ATOM 0 HA VAL A 507 12.975 7.728 8.406 1.00 0.00 H new ATOM 0 HB VAL A 507 14.751 5.329 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.516 6.990 9.364 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.927 7.227 7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.368 8.302 9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.171 6.035 11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.893 7.262 10.888 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.488 5.533 10.767 1.00 0.00 H new ATOM 522 N LEU A 508 14.060 7.573 6.098 1.00 0.00 N ATOM 523 CA LEU A 508 14.400 7.735 4.685 1.00 0.00 C ATOM 524 C LEU A 508 15.869 8.172 4.488 1.00 0.00 C ATOM 525 O LEU A 508 16.443 7.921 3.426 1.00 0.00 O ATOM 526 CB LEU A 508 13.469 8.788 4.045 1.00 0.00 C ATOM 527 CG LEU A 508 11.960 8.687 4.342 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.223 9.849 3.676 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.318 7.396 3.831 1.00 0.00 C ATOM 0 H LEU A 508 14.284 8.415 6.628 1.00 0.00 H new ATOM 0 HA LEU A 508 14.269 6.766 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.808 9.773 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.602 8.740 2.964 1.00 0.00 H new ATOM 0 HG LEU A 508 11.873 8.708 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.157 9.773 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.605 10.793 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.382 9.811 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.256 7.396 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.441 7.332 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.799 6.539 4.302 1.00 0.00 H new ATOM 541 N ASP A 509 16.491 8.800 5.498 1.00 0.00 N ATOM 542 CA ASP A 509 17.911 9.202 5.496 1.00 0.00 C ATOM 543 C ASP A 509 18.466 9.253 6.930 1.00 0.00 C ATOM 544 O ASP A 509 17.798 9.761 7.828 1.00 0.00 O ATOM 545 CB ASP A 509 18.072 10.596 4.867 1.00 0.00 C ATOM 546 CG ASP A 509 18.082 10.586 3.332 1.00 0.00 C ATOM 547 OD1 ASP A 509 19.069 10.082 2.740 1.00 0.00 O ATOM 548 OD2 ASP A 509 17.147 11.148 2.709 1.00 0.00 O ATOM 0 H ASP A 509 16.010 9.050 6.362 1.00 0.00 H new ATOM 0 HA ASP A 509 18.462 8.462 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.260 11.236 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.001 11.040 5.224 1.00 0.00 H new ATOM 553 N ASP A 510 19.697 8.766 7.132 1.00 0.00 N ATOM 554 CA ASP A 510 20.296 8.507 8.454 1.00 0.00 C ATOM 555 C ASP A 510 21.816 8.805 8.503 1.00 0.00 C ATOM 556 O ASP A 510 22.615 8.038 9.051 1.00 0.00 O ATOM 557 CB ASP A 510 19.926 7.087 8.932 1.00 0.00 C ATOM 558 CG ASP A 510 20.122 5.990 7.867 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.282 5.613 7.566 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.110 5.474 7.333 1.00 0.00 O ATOM 0 H ASP A 510 20.324 8.534 6.361 1.00 0.00 H new ATOM 0 HA ASP A 510 19.868 9.214 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.530 6.841 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.884 7.084 9.253 1.00 0.00 H new ATOM 565 N SER A 511 22.227 9.944 7.928 1.00 0.00 N ATOM 566 CA SER A 511 23.642 10.342 7.760 1.00 0.00 C ATOM 567 C SER A 511 24.025 11.604 8.557 1.00 0.00 C ATOM 568 O SER A 511 25.118 12.150 8.369 1.00 0.00 O ATOM 569 CB SER A 511 23.936 10.500 6.260 1.00 0.00 C ATOM 570 OG SER A 511 25.334 10.565 6.008 1.00 0.00 O ATOM 0 H SER A 511 21.574 10.634 7.556 1.00 0.00 H new ATOM 0 HA SER A 511 24.267 9.552 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.505 9.661 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.455 11.404 5.887 1.00 0.00 H new ATOM 0 HG SER A 511 25.770 11.087 6.714 1.00 0.00 H new ATOM 576 N ARG A 512 23.133 12.074 9.443 1.00 0.00 N ATOM 577 CA ARG A 512 23.275 13.282 10.279 1.00 0.00 C ATOM 578 C ARG A 512 22.577 13.135 11.645 1.00 0.00 C ATOM 579 O ARG A 512 21.950 12.114 11.930 1.00 0.00 O ATOM 580 CB ARG A 512 22.704 14.496 9.516 1.00 0.00 C ATOM 581 CG ARG A 512 23.552 14.961 8.323 1.00 0.00 C ATOM 582 CD ARG A 512 23.241 16.433 8.021 1.00 0.00 C ATOM 583 NE ARG A 512 23.918 16.899 6.797 1.00 0.00 N ATOM 584 CZ ARG A 512 23.546 17.914 6.038 1.00 0.00 C ATOM 585 NH1 ARG A 512 22.498 18.640 6.304 1.00 0.00 N ATOM 586 NH2 ARG A 512 24.233 18.226 4.975 1.00 0.00 N ATOM 0 H ARG A 512 22.246 11.598 9.606 1.00 0.00 H new ATOM 0 HA ARG A 512 24.336 13.429 10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.705 14.246 9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.595 15.327 10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.612 14.840 8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.339 14.346 7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.164 16.561 7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.551 17.050 8.864 1.00 0.00 H new ATOM 0 HE ARG A 512 24.753 16.389 6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.929 18.433 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 512 22.246 19.415 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 512 25.062 17.685 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 512 23.942 19.011 4.392 1.00 0.00 H new ATOM 600 N LYS A 513 22.663 14.184 12.476 1.00 0.00 N ATOM 601 CA LYS A 513 21.973 14.350 13.774 1.00 0.00 C ATOM 602 C LYS A 513 20.437 14.341 13.679 1.00 0.00 C ATOM 603 O LYS A 513 19.756 14.024 14.654 1.00 0.00 O ATOM 604 CB LYS A 513 22.415 15.684 14.401 1.00 0.00 C ATOM 605 CG LYS A 513 23.921 15.839 14.666 1.00 0.00 C ATOM 606 CD LYS A 513 24.438 14.910 15.776 1.00 0.00 C ATOM 607 CE LYS A 513 25.881 15.246 16.178 1.00 0.00 C ATOM 608 NZ LYS A 513 26.866 14.908 15.112 1.00 0.00 N ATOM 0 H LYS A 513 23.249 14.989 12.252 1.00 0.00 H new ATOM 0 HA LYS A 513 22.253 13.491 14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.097 16.494 13.745 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.885 15.812 15.345 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.468 15.635 13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.131 16.873 14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.790 14.991 16.649 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.387 13.875 15.436 1.00 0.00 H new ATOM 0 HE2 LYS A 513 25.952 16.309 16.409 1.00 0.00 H new ATOM 0 HE3 LYS A 513 26.136 14.704 17.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.824 15.154 15.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 26.821 13.889 14.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.642 15.444 14.250 1.00 0.00 H new ATOM 622 N TRP A 514 19.882 14.677 12.516 1.00 0.00 N ATOM 623 CA TRP A 514 18.440 14.693 12.257 1.00 0.00 C ATOM 624 C TRP A 514 18.126 13.795 11.062 1.00 0.00 C ATOM 625 O TRP A 514 18.715 13.952 9.987 1.00 0.00 O ATOM 626 CB TRP A 514 17.958 16.125 12.002 1.00 0.00 C ATOM 627 CG TRP A 514 17.911 17.030 13.196 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.971 17.510 13.886 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.735 17.605 13.838 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.535 18.293 14.936 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.158 18.379 14.959 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.351 17.569 13.567 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.249 19.043 15.793 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.429 18.254 14.378 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.876 18.980 15.497 1.00 0.00 C ATOM 0 H TRP A 514 20.436 14.953 11.705 1.00 0.00 H new ATOM 0 HA TRP A 514 17.914 14.312 13.132 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.609 16.578 11.254 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.959 16.078 11.568 1.00 0.00 H new ATOM 0 HD1 TRP A 514 20.006 17.310 13.650 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.151 18.749 15.608 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.992 17.004 12.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.598 19.596 16.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.376 18.223 14.141 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.164 19.489 16.129 1.00 0.00 H new ATOM 646 N TRP A 515 17.215 12.838 11.251 1.00 0.00 N ATOM 647 CA TRP A 515 16.852 11.875 10.207 1.00 0.00 C ATOM 648 C TRP A 515 15.571 12.312 9.501 1.00 0.00 C ATOM 649 O TRP A 515 14.642 12.830 10.130 1.00 0.00 O ATOM 650 CB TRP A 515 16.761 10.440 10.760 1.00 0.00 C ATOM 651 CG TRP A 515 18.023 9.866 11.348 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.241 10.457 11.416 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.221 8.531 11.899 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.158 9.594 11.978 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.586 8.381 12.287 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.379 7.418 12.073 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.087 7.188 12.826 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.868 6.212 12.612 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.218 6.095 12.993 1.00 0.00 C ATOM 0 H TRP A 515 16.710 12.708 12.128 1.00 0.00 H new ATOM 0 HA TRP A 515 17.648 11.861 9.462 1.00 0.00 H new ATOM 0 HB2 TRP A 515 15.987 10.418 11.527 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.431 9.784 9.955 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.461 11.459 11.079 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.137 9.826 12.144 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.340 7.489 11.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.126 7.109 13.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.202 5.371 12.734 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.585 5.170 13.412 1.00 0.00 H new ATOM 670 N LYS A 516 15.525 12.111 8.179 1.00 0.00 N ATOM 671 CA LYS A 516 14.326 12.306 7.379 1.00 0.00 C ATOM 672 C LYS A 516 13.456 11.092 7.621 1.00 0.00 C ATOM 673 O LYS A 516 13.871 9.980 7.316 1.00 0.00 O ATOM 674 CB LYS A 516 14.689 12.497 5.898 1.00 0.00 C ATOM 675 CG LYS A 516 13.470 12.967 5.097 1.00 0.00 C ATOM 676 CD LYS A 516 13.837 13.337 3.653 1.00 0.00 C ATOM 677 CE LYS A 516 12.593 13.813 2.887 1.00 0.00 C ATOM 678 NZ LYS A 516 12.951 14.384 1.559 1.00 0.00 N ATOM 0 H LYS A 516 16.332 11.805 7.635 1.00 0.00 H new ATOM 0 HA LYS A 516 13.786 13.210 7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.493 13.227 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.061 11.559 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.716 12.180 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.024 13.831 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.593 14.122 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.273 12.474 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.907 12.977 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.067 14.564 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.087 14.695 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.586 15.197 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.430 13.659 0.987 1.00 0.00 H new ATOM 692 N VAL A 517 12.286 11.295 8.201 1.00 0.00 N ATOM 693 CA VAL A 517 11.285 10.246 8.445 1.00 0.00 C ATOM 694 C VAL A 517 9.912 10.650 7.897 1.00 0.00 C ATOM 695 O VAL A 517 9.733 11.769 7.406 1.00 0.00 O ATOM 696 CB VAL A 517 11.193 9.840 9.938 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.556 9.624 10.602 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.436 10.861 10.790 1.00 0.00 C ATOM 0 H VAL A 517 11.989 12.214 8.527 1.00 0.00 H new ATOM 0 HA VAL A 517 11.624 9.363 7.902 1.00 0.00 H new ATOM 0 HB VAL A 517 10.649 8.896 9.906 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.412 9.342 11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.092 8.830 10.082 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.135 10.546 10.552 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.406 10.520 11.825 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.944 11.824 10.740 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.419 10.967 10.413 1.00 0.00 H new ATOM 708 N ARG A 518 8.930 9.748 8.017 1.00 0.00 N ATOM 709 CA ARG A 518 7.533 9.981 7.637 1.00 0.00 C ATOM 710 C ARG A 518 6.580 9.528 8.741 1.00 0.00 C ATOM 711 O ARG A 518 6.682 8.400 9.229 1.00 0.00 O ATOM 712 CB ARG A 518 7.271 9.295 6.287 1.00 0.00 C ATOM 713 CG ARG A 518 5.855 9.540 5.745 1.00 0.00 C ATOM 714 CD ARG A 518 5.727 9.120 4.276 1.00 0.00 C ATOM 715 NE ARG A 518 5.826 7.660 4.088 1.00 0.00 N ATOM 716 CZ ARG A 518 5.512 6.994 2.992 1.00 0.00 C ATOM 717 NH1 ARG A 518 5.030 7.581 1.930 1.00 0.00 N ATOM 718 NH2 ARG A 518 5.689 5.709 2.943 1.00 0.00 N ATOM 0 H ARG A 518 9.090 8.813 8.391 1.00 0.00 H new ATOM 0 HA ARG A 518 7.346 11.048 7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 518 7.998 9.653 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.430 8.222 6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.135 8.985 6.346 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.606 10.596 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.771 9.468 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.507 9.610 3.693 1.00 0.00 H new ATOM 0 HE ARG A 518 6.169 7.114 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 518 4.883 8.590 1.927 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.800 7.030 1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 518 6.070 5.216 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 518 5.447 5.193 2.097 1.00 0.00 H new ATOM 732 N ASP A 519 5.665 10.413 9.141 1.00 0.00 N ATOM 733 CA ASP A 519 4.606 10.090 10.099 1.00 0.00 C ATOM 734 C ASP A 519 3.527 9.192 9.465 1.00 0.00 C ATOM 735 O ASP A 519 3.322 9.237 8.247 1.00 0.00 O ATOM 736 CB ASP A 519 3.976 11.374 10.640 1.00 0.00 C ATOM 737 CG ASP A 519 4.622 11.859 11.942 1.00 0.00 C ATOM 738 OD1 ASP A 519 5.637 12.586 11.869 1.00 0.00 O ATOM 739 OD2 ASP A 519 4.074 11.530 13.022 1.00 0.00 O ATOM 0 H ASP A 519 5.638 11.377 8.809 1.00 0.00 H new ATOM 0 HA ASP A 519 5.057 9.537 10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 519 4.059 12.157 9.887 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.912 11.206 10.810 1.00 0.00 H new ATOM 744 N PRO A 520 2.759 8.442 10.278 1.00 0.00 N ATOM 745 CA PRO A 520 1.719 7.536 9.796 1.00 0.00 C ATOM 746 C PRO A 520 0.527 8.261 9.131 1.00 0.00 C ATOM 747 O PRO A 520 -0.300 7.624 8.473 1.00 0.00 O ATOM 748 CB PRO A 520 1.286 6.728 11.026 1.00 0.00 C ATOM 749 CG PRO A 520 1.573 7.673 12.192 1.00 0.00 C ATOM 750 CD PRO A 520 2.826 8.410 11.729 1.00 0.00 C ATOM 0 HA PRO A 520 2.106 6.899 9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.231 6.458 10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.849 5.799 11.114 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.744 8.358 12.371 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.744 7.129 13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.860 9.419 12.140 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.727 7.898 12.067 1.00 0.00 H new ATOM 758 N ALA A 521 0.442 9.591 9.279 1.00 0.00 N ATOM 759 CA ALA A 521 -0.547 10.463 8.645 1.00 0.00 C ATOM 760 C ALA A 521 -0.180 10.846 7.196 1.00 0.00 C ATOM 761 O ALA A 521 -1.027 11.371 6.467 1.00 0.00 O ATOM 762 CB ALA A 521 -0.663 11.725 9.508 1.00 0.00 C ATOM 0 H ALA A 521 1.092 10.108 9.871 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.494 9.926 8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.394 12.402 9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -0.984 11.450 10.513 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.306 12.221 9.560 1.00 0.00 H new ATOM 768 N GLY A 522 1.071 10.602 6.779 1.00 0.00 N ATOM 769 CA GLY A 522 1.544 10.834 5.412 1.00 0.00 C ATOM 770 C GLY A 522 2.429 12.066 5.224 1.00 0.00 C ATOM 771 O GLY A 522 2.362 12.705 4.170 1.00 0.00 O ATOM 0 H GLY A 522 1.793 10.231 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.099 9.955 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.678 10.927 4.757 1.00 0.00 H new ATOM 775 N GLN A 523 3.217 12.436 6.237 1.00 0.00 N ATOM 776 CA GLN A 523 3.955 13.706 6.276 1.00 0.00 C ATOM 777 C GLN A 523 5.452 13.471 6.459 1.00 0.00 C ATOM 778 O GLN A 523 5.844 12.723 7.351 1.00 0.00 O ATOM 779 CB GLN A 523 3.446 14.563 7.442 1.00 0.00 C ATOM 780 CG GLN A 523 1.930 14.753 7.450 1.00 0.00 C ATOM 781 CD GLN A 523 1.505 15.997 8.231 1.00 0.00 C ATOM 782 OE1 GLN A 523 0.930 16.936 7.691 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.779 16.077 9.519 1.00 0.00 N ATOM 0 H GLN A 523 3.364 11.857 7.064 1.00 0.00 H new ATOM 0 HA GLN A 523 3.792 14.217 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.750 14.100 8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.925 15.541 7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.570 14.831 6.424 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.458 13.873 7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 523 2.257 15.307 9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.513 16.909 10.046 1.00 0.00 H new ATOM 792 N GLU A 524 6.279 14.139 5.654 1.00 0.00 N ATOM 793 CA GLU A 524 7.743 14.015 5.661 1.00 0.00 C ATOM 794 C GLU A 524 8.425 15.335 6.062 1.00 0.00 C ATOM 795 O GLU A 524 7.930 16.436 5.800 1.00 0.00 O ATOM 796 CB GLU A 524 8.258 13.587 4.279 1.00 0.00 C ATOM 797 CG GLU A 524 7.735 12.222 3.810 1.00 0.00 C ATOM 798 CD GLU A 524 7.655 12.130 2.272 1.00 0.00 C ATOM 799 OE1 GLU A 524 8.675 12.376 1.581 1.00 0.00 O ATOM 800 OE2 GLU A 524 6.565 11.805 1.740 1.00 0.00 O ATOM 0 H GLU A 524 5.941 14.802 4.957 1.00 0.00 H new ATOM 0 HA GLU A 524 7.993 13.254 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.975 14.344 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.347 13.558 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.388 11.435 4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.747 12.047 4.235 1.00 0.00 H new ATOM 807 N GLY A 525 9.583 15.201 6.703 1.00 0.00 N ATOM 808 CA GLY A 525 10.367 16.274 7.313 1.00 0.00 C ATOM 809 C GLY A 525 11.514 15.667 8.118 1.00 0.00 C ATOM 810 O GLY A 525 11.899 14.524 7.876 1.00 0.00 O ATOM 0 H GLY A 525 10.026 14.289 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.760 16.937 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.733 16.880 7.961 1.00 0.00 H new ATOM 814 N TYR A 526 12.026 16.390 9.108 1.00 0.00 N ATOM 815 CA TYR A 526 13.135 15.963 9.960 1.00 0.00 C ATOM 816 C TYR A 526 12.724 15.834 11.432 1.00 0.00 C ATOM 817 O TYR A 526 11.889 16.591 11.935 1.00 0.00 O ATOM 818 CB TYR A 526 14.296 16.953 9.815 1.00 0.00 C ATOM 819 CG TYR A 526 14.897 17.037 8.425 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.572 15.927 7.879 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.804 18.231 7.687 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.139 16.006 6.592 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.359 18.311 6.399 1.00 0.00 C ATOM 824 CZ TYR A 526 16.025 17.197 5.842 1.00 0.00 C ATOM 825 OH TYR A 526 16.548 17.274 4.589 1.00 0.00 O ATOM 0 H TYR A 526 11.672 17.316 9.348 1.00 0.00 H new ATOM 0 HA TYR A 526 13.447 14.972 9.632 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.947 17.944 10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.081 16.674 10.518 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.655 15.013 8.449 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.304 19.089 8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.661 15.156 6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.276 19.227 5.833 1.00 0.00 H new ATOM 0 HH TYR A 526 16.378 18.165 4.218 1.00 0.00 H new ATOM 835 N VAL A 527 13.373 14.900 12.134 1.00 0.00 N ATOM 836 CA VAL A 527 13.245 14.680 13.586 1.00 0.00 C ATOM 837 C VAL A 527 14.615 14.362 14.212 1.00 0.00 C ATOM 838 O VAL A 527 15.492 13.821 13.526 1.00 0.00 O ATOM 839 CB VAL A 527 12.245 13.545 13.906 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.805 13.932 13.554 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.598 12.241 13.194 1.00 0.00 C ATOM 0 H VAL A 527 14.026 14.251 11.695 1.00 0.00 H new ATOM 0 HA VAL A 527 12.860 15.603 14.019 1.00 0.00 H new ATOM 0 HB VAL A 527 12.319 13.387 14.982 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.137 13.105 13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.514 14.813 14.127 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.738 14.154 12.489 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.866 11.476 13.452 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.591 12.402 12.116 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.590 11.913 13.506 1.00 0.00 H new ATOM 851 N PRO A 528 14.830 14.675 15.504 1.00 0.00 N ATOM 852 CA PRO A 528 16.107 14.452 16.179 1.00 0.00 C ATOM 853 C PRO A 528 16.364 12.957 16.398 1.00 0.00 C ATOM 854 O PRO A 528 15.545 12.266 17.003 1.00 0.00 O ATOM 855 CB PRO A 528 15.973 15.201 17.512 1.00 0.00 C ATOM 856 CG PRO A 528 14.474 15.185 17.801 1.00 0.00 C ATOM 857 CD PRO A 528 13.881 15.318 16.404 1.00 0.00 C ATOM 0 HA PRO A 528 16.954 14.809 15.593 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.537 14.708 18.304 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.353 16.220 17.436 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.163 14.262 18.290 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.175 16.007 18.451 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.903 14.839 16.348 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.739 16.365 16.138 1.00 0.00 H new ATOM 865 N TYR A 529 17.534 12.448 15.995 1.00 0.00 N ATOM 866 CA TYR A 529 17.897 11.039 16.243 1.00 0.00 C ATOM 867 C TYR A 529 17.971 10.668 17.739 1.00 0.00 C ATOM 868 O TYR A 529 17.895 9.494 18.095 1.00 0.00 O ATOM 869 CB TYR A 529 19.189 10.661 15.502 1.00 0.00 C ATOM 870 CG TYR A 529 20.498 10.858 16.260 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.802 12.091 16.872 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.409 9.788 16.369 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.004 12.260 17.582 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.612 9.947 17.087 1.00 0.00 C ATOM 875 CZ TYR A 529 22.912 11.186 17.695 1.00 0.00 C ATOM 876 OH TYR A 529 24.068 11.350 18.394 1.00 0.00 O ATOM 0 H TYR A 529 18.246 12.984 15.498 1.00 0.00 H new ATOM 0 HA TYR A 529 17.079 10.443 15.837 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.119 9.613 15.210 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.237 11.245 14.583 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.106 12.913 16.795 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.184 8.841 15.900 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.232 13.211 18.040 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.304 9.122 17.172 1.00 0.00 H new ATOM 0 HH TYR A 529 24.582 10.516 18.377 1.00 0.00 H new ATOM 886 N ASN A 530 18.065 11.670 18.623 1.00 0.00 N ATOM 887 CA ASN A 530 18.076 11.513 20.077 1.00 0.00 C ATOM 888 C ASN A 530 16.796 10.866 20.645 1.00 0.00 C ATOM 889 O ASN A 530 16.882 10.074 21.587 1.00 0.00 O ATOM 890 CB ASN A 530 18.324 12.908 20.680 1.00 0.00 C ATOM 891 CG ASN A 530 18.294 12.914 22.200 1.00 0.00 C ATOM 892 OD1 ASN A 530 19.021 12.191 22.869 1.00 0.00 O ATOM 893 ND2 ASN A 530 17.455 13.735 22.792 1.00 0.00 N ATOM 0 H ASN A 530 18.138 12.645 18.332 1.00 0.00 H new ATOM 0 HA ASN A 530 18.869 10.817 20.352 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.291 13.278 20.340 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.569 13.599 20.305 1.00 0.00 H new ATOM 0 HD21 ASN A 530 17.409 13.770 23.810 1.00 0.00 H new ATOM 0 HD22 ASN A 530 16.850 14.337 22.233 1.00 0.00 H new ATOM 900 N ILE A 531 15.620 11.160 20.069 1.00 0.00 N ATOM 901 CA ILE A 531 14.347 10.537 20.489 1.00 0.00 C ATOM 902 C ILE A 531 14.059 9.239 19.724 1.00 0.00 C ATOM 903 O ILE A 531 13.115 8.538 20.074 1.00 0.00 O ATOM 904 CB ILE A 531 13.142 11.515 20.420 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.616 11.711 18.978 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.507 12.856 21.084 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.487 12.736 18.834 1.00 0.00 C ATOM 0 H ILE A 531 15.520 11.829 19.306 1.00 0.00 H new ATOM 0 HA ILE A 531 14.477 10.277 21.540 1.00 0.00 H new ATOM 0 HB ILE A 531 12.320 11.066 20.978 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.447 12.017 18.343 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.264 10.750 18.602 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.655 13.533 21.029 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.769 12.686 22.128 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.357 13.300 20.565 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.187 12.802 17.788 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.634 12.425 19.437 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.835 13.711 19.174 1.00 0.00 H new ATOM 919 N LEU A 532 14.838 8.907 18.688 1.00 0.00 N ATOM 920 CA LEU A 532 14.618 7.717 17.864 1.00 0.00 C ATOM 921 C LEU A 532 15.447 6.534 18.391 1.00 0.00 C ATOM 922 O LEU A 532 16.661 6.654 18.575 1.00 0.00 O ATOM 923 CB LEU A 532 14.978 8.033 16.398 1.00 0.00 C ATOM 924 CG LEU A 532 14.183 9.182 15.740 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.631 9.336 14.280 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.668 8.981 15.803 1.00 0.00 C ATOM 0 H LEU A 532 15.643 9.461 18.398 1.00 0.00 H new ATOM 0 HA LEU A 532 13.567 7.434 17.915 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.039 8.277 16.349 1.00 0.00 H new ATOM 0 HB3 LEU A 532 14.831 7.130 15.806 1.00 0.00 H new ATOM 0 HG LEU A 532 14.398 10.088 16.306 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.072 10.146 13.811 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.696 9.564 14.248 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.443 8.407 13.742 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.169 9.823 15.323 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.401 8.059 15.286 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.352 8.917 16.844 1.00 0.00 H new ATOM 938 N THR A 533 14.811 5.375 18.596 1.00 0.00 N ATOM 939 CA THR A 533 15.491 4.130 19.003 1.00 0.00 C ATOM 940 C THR A 533 15.253 3.005 17.976 1.00 0.00 C ATOM 941 O THR A 533 14.131 2.885 17.466 1.00 0.00 O ATOM 942 CB THR A 533 15.099 3.745 20.444 1.00 0.00 C ATOM 943 OG1 THR A 533 15.908 2.691 20.917 1.00 0.00 O ATOM 944 CG2 THR A 533 13.651 3.297 20.628 1.00 0.00 C ATOM 0 H THR A 533 13.803 5.269 18.485 1.00 0.00 H new ATOM 0 HA THR A 533 16.568 4.298 19.012 1.00 0.00 H new ATOM 0 HB THR A 533 15.240 4.670 21.003 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.645 2.463 21.833 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.477 3.049 21.675 1.00 0.00 H new ATOM 0 HG22 THR A 533 12.980 4.103 20.330 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.461 2.419 20.011 1.00 0.00 H new ATOM 952 N PRO A 534 16.280 2.201 17.618 1.00 0.00 N ATOM 953 CA PRO A 534 16.181 1.157 16.594 1.00 0.00 C ATOM 954 C PRO A 534 15.223 0.039 17.027 1.00 0.00 C ATOM 955 O PRO A 534 15.503 -0.719 17.962 1.00 0.00 O ATOM 956 CB PRO A 534 17.614 0.659 16.359 1.00 0.00 C ATOM 957 CG PRO A 534 18.329 0.972 17.670 1.00 0.00 C ATOM 958 CD PRO A 534 17.644 2.256 18.131 1.00 0.00 C ATOM 0 HA PRO A 534 15.758 1.539 15.665 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.635 -0.408 16.137 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.082 1.169 15.517 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.212 0.168 18.396 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.399 1.115 17.523 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.647 2.329 19.219 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.167 3.133 17.751 1.00 0.00 H new