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= -0.298 X(o=-0.3,f=-0.52) 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= 0.822 K(o=0.82,f=-0.18) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 498 SER OG : rot 180:sc= 0 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=-0.16) USER MOD Single : A 511 SER OG : rot -40:sc= 0.0267 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= -0.0621 K(o=-0.062,f=-1.7!) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.128 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.536 2.283 7.544 1.00 0.00 N ATOM 75 CA LYS A 481 14.133 1.297 8.562 1.00 0.00 C ATOM 76 C LYS A 481 13.012 1.876 9.430 1.00 0.00 C ATOM 77 O LYS A 481 12.528 2.988 9.201 1.00 0.00 O ATOM 78 CB LYS A 481 15.365 0.913 9.421 1.00 0.00 C ATOM 79 CG LYS A 481 15.353 -0.546 9.932 1.00 0.00 C ATOM 80 CD LYS A 481 16.091 -1.528 9.008 1.00 0.00 C ATOM 81 CE LYS A 481 17.608 -1.280 8.912 1.00 0.00 C ATOM 82 NZ LYS A 481 18.339 -1.735 10.129 1.00 0.00 N ATOM 0 HA LYS A 481 13.754 0.397 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.268 1.072 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.420 1.585 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 481 15.809 -0.579 10.922 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.320 -0.874 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.921 -2.544 9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 481 15.659 -1.465 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 481 18.003 -1.800 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 481 17.790 -0.216 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 19.355 -1.546 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 17.983 -1.221 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 18.190 -2.756 10.262 1.00 0.00 H new ATOM 96 N TRP A 482 12.628 1.122 10.448 1.00 0.00 N ATOM 97 CA TRP A 482 11.674 1.520 11.468 1.00 0.00 C ATOM 98 C TRP A 482 12.409 2.007 12.722 1.00 0.00 C ATOM 99 O TRP A 482 13.305 1.328 13.234 1.00 0.00 O ATOM 100 CB TRP A 482 10.779 0.310 11.793 1.00 0.00 C ATOM 101 CG TRP A 482 10.503 -0.642 10.664 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.704 -1.980 10.690 1.00 0.00 C ATOM 103 CD2 TRP A 482 10.059 -0.333 9.307 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.417 -2.518 9.448 1.00 0.00 N ATOM 105 CE2 TRP A 482 10.038 -1.543 8.549 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.719 0.859 8.632 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.699 -1.569 7.187 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.396 0.844 7.265 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.380 -0.363 6.541 1.00 0.00 C ATOM 0 H TRP A 482 12.988 0.178 10.591 1.00 0.00 H new ATOM 0 HA TRP A 482 11.058 2.343 11.106 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.243 -0.249 12.605 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.825 0.682 12.167 1.00 0.00 H new ATOM 0 HD1 TRP A 482 11.038 -2.542 11.550 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.478 -3.511 9.225 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.707 1.794 9.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.684 -2.502 6.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.157 1.770 6.763 1.00 0.00 H new ATOM 0 HH2 TRP A 482 9.123 -0.362 5.492 1.00 0.00 H new ATOM 120 N VAL A 483 12.003 3.163 13.250 1.00 0.00 N ATOM 121 CA VAL A 483 12.500 3.694 14.529 1.00 0.00 C ATOM 122 C VAL A 483 11.355 4.141 15.428 1.00 0.00 C ATOM 123 O VAL A 483 10.418 4.805 14.983 1.00 0.00 O ATOM 124 CB VAL A 483 13.510 4.840 14.343 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.855 4.323 13.830 1.00 0.00 C ATOM 126 CG2 VAL A 483 13.032 5.949 13.395 1.00 0.00 C ATOM 0 H VAL A 483 11.314 3.766 12.801 1.00 0.00 H new ATOM 0 HA VAL A 483 13.026 2.872 15.014 1.00 0.00 H new ATOM 0 HB VAL A 483 13.616 5.271 15.338 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.544 5.159 13.710 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.268 3.612 14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.712 3.829 12.869 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.801 6.718 13.318 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.841 5.527 12.408 1.00 0.00 H new ATOM 0 HG23 VAL A 483 12.115 6.390 13.785 1.00 0.00 H new ATOM 136 N LEU A 484 11.440 3.756 16.699 1.00 0.00 N ATOM 137 CA LEU A 484 10.512 4.147 17.757 1.00 0.00 C ATOM 138 C LEU A 484 10.904 5.511 18.343 1.00 0.00 C ATOM 139 O LEU A 484 12.088 5.837 18.453 1.00 0.00 O ATOM 140 CB LEU A 484 10.509 3.026 18.812 1.00 0.00 C ATOM 141 CG LEU A 484 9.869 3.373 20.169 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.381 3.670 20.045 1.00 0.00 C ATOM 143 CD2 LEU A 484 10.063 2.245 21.190 1.00 0.00 C ATOM 0 H LEU A 484 12.183 3.142 17.032 1.00 0.00 H new ATOM 0 HA LEU A 484 9.501 4.269 17.367 1.00 0.00 H new ATOM 0 HB2 LEU A 484 9.985 2.165 18.396 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.540 2.718 18.988 1.00 0.00 H new ATOM 0 HG LEU A 484 10.379 4.271 20.517 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.975 3.909 21.028 1.00 0.00 H new ATOM 0 HD12 LEU A 484 8.234 4.517 19.375 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.868 2.796 19.643 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.598 2.526 22.135 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.601 1.332 20.815 1.00 0.00 H new ATOM 0 HD23 LEU A 484 11.128 2.075 21.346 1.00 0.00 H new ATOM 155 N CYS A 485 9.903 6.281 18.763 1.00 0.00 N ATOM 156 CA CYS A 485 10.058 7.504 19.538 1.00 0.00 C ATOM 157 C CYS A 485 10.141 7.193 21.049 1.00 0.00 C ATOM 158 O CYS A 485 9.146 6.805 21.664 1.00 0.00 O ATOM 159 CB CYS A 485 8.869 8.420 19.207 1.00 0.00 C ATOM 160 SG CYS A 485 9.287 9.433 17.760 1.00 0.00 S ATOM 0 H CYS A 485 8.927 6.060 18.564 1.00 0.00 H new ATOM 0 HA CYS A 485 10.990 8.006 19.278 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.979 7.824 19.005 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.637 9.059 20.059 1.00 0.00 H new ATOM 0 HG CYS A 485 8.204 9.706 17.094 1.00 0.00 H new ATOM 166 N ASN A 486 11.311 7.393 21.660 1.00 0.00 N ATOM 167 CA ASN A 486 11.517 7.353 23.115 1.00 0.00 C ATOM 168 C ASN A 486 10.797 8.497 23.870 1.00 0.00 C ATOM 169 O ASN A 486 10.413 8.321 25.027 1.00 0.00 O ATOM 170 CB ASN A 486 13.025 7.449 23.420 1.00 0.00 C ATOM 171 CG ASN A 486 13.805 6.170 23.167 1.00 0.00 C ATOM 172 OD1 ASN A 486 13.311 5.059 23.302 1.00 0.00 O ATOM 173 ND2 ASN A 486 15.069 6.290 22.826 1.00 0.00 N ATOM 0 H ASN A 486 12.168 7.593 21.144 1.00 0.00 H new ATOM 0 HA ASN A 486 11.093 6.411 23.461 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.455 8.247 22.814 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.154 7.737 24.463 1.00 0.00 H new ATOM 0 HD21 ASN A 486 15.638 5.457 22.674 1.00 0.00 H new ATOM 0 HD22 ASN A 486 15.481 7.216 22.713 1.00 0.00 H new ATOM 180 N TYR A 487 10.621 9.656 23.218 1.00 0.00 N ATOM 181 CA TYR A 487 10.051 10.895 23.782 1.00 0.00 C ATOM 182 C TYR A 487 9.120 11.591 22.770 1.00 0.00 C ATOM 183 O TYR A 487 9.131 11.277 21.579 1.00 0.00 O ATOM 184 CB TYR A 487 11.170 11.864 24.204 1.00 0.00 C ATOM 185 CG TYR A 487 12.220 11.301 25.147 1.00 0.00 C ATOM 186 CD1 TYR A 487 12.007 11.312 26.540 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.420 10.784 24.627 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.993 10.802 27.410 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.408 10.270 25.488 1.00 0.00 C ATOM 190 CZ TYR A 487 14.196 10.279 26.883 1.00 0.00 C ATOM 191 OH TYR A 487 15.156 9.787 27.712 1.00 0.00 O ATOM 0 H TYR A 487 10.883 9.763 22.238 1.00 0.00 H new ATOM 0 HA TYR A 487 9.467 10.618 24.659 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.672 12.221 23.305 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.712 12.732 24.679 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.088 11.711 26.942 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.585 10.781 23.560 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.829 10.811 28.477 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.325 9.870 25.082 1.00 0.00 H new ATOM 0 HH TYR A 487 15.915 9.468 27.181 1.00 0.00 H new ATOM 201 N ASP A 488 8.312 12.543 23.242 1.00 0.00 N ATOM 202 CA ASP A 488 7.478 13.410 22.398 1.00 0.00 C ATOM 203 C ASP A 488 8.218 14.675 21.910 1.00 0.00 C ATOM 204 O ASP A 488 9.206 15.115 22.508 1.00 0.00 O ATOM 205 CB ASP A 488 6.194 13.784 23.157 1.00 0.00 C ATOM 206 CG ASP A 488 6.451 14.745 24.331 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.876 14.276 25.416 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.203 15.965 24.182 1.00 0.00 O ATOM 0 H ASP A 488 8.215 12.739 24.238 1.00 0.00 H new ATOM 0 HA ASP A 488 7.225 12.846 21.500 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.490 14.245 22.464 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.723 12.876 23.534 1.00 0.00 H new ATOM 213 N PHE A 489 7.716 15.274 20.826 1.00 0.00 N ATOM 214 CA PHE A 489 8.232 16.492 20.189 1.00 0.00 C ATOM 215 C PHE A 489 7.123 17.214 19.391 1.00 0.00 C ATOM 216 O PHE A 489 6.095 16.624 19.061 1.00 0.00 O ATOM 217 CB PHE A 489 9.401 16.091 19.271 1.00 0.00 C ATOM 218 CG PHE A 489 10.099 17.236 18.563 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.693 18.275 19.306 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.134 17.274 17.156 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.312 19.350 18.644 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.769 18.339 16.494 1.00 0.00 C ATOM 223 CZ PHE A 489 11.351 19.380 17.239 1.00 0.00 C ATOM 0 H PHE A 489 6.897 14.904 20.343 1.00 0.00 H new ATOM 0 HA PHE A 489 8.579 17.190 20.950 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.138 15.551 19.866 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.027 15.396 18.519 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.673 18.246 20.385 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.672 16.483 16.584 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.757 20.152 19.214 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.810 18.358 15.415 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.829 20.204 16.731 1.00 0.00 H new ATOM 233 N GLN A 490 7.323 18.492 19.053 1.00 0.00 N ATOM 234 CA GLN A 490 6.341 19.322 18.340 1.00 0.00 C ATOM 235 C GLN A 490 7.005 20.148 17.233 1.00 0.00 C ATOM 236 O GLN A 490 8.063 20.740 17.445 1.00 0.00 O ATOM 237 CB GLN A 490 5.620 20.246 19.336 1.00 0.00 C ATOM 238 CG GLN A 490 4.626 19.472 20.213 1.00 0.00 C ATOM 239 CD GLN A 490 3.850 20.395 21.152 1.00 0.00 C ATOM 240 OE1 GLN A 490 2.706 20.762 20.907 1.00 0.00 O ATOM 241 NE2 GLN A 490 4.434 20.810 22.257 1.00 0.00 N ATOM 0 H GLN A 490 8.187 18.989 19.270 1.00 0.00 H new ATOM 0 HA GLN A 490 5.614 18.661 17.868 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.355 20.742 19.970 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.091 21.027 18.790 1.00 0.00 H new ATOM 0 HG2 GLN A 490 3.926 18.931 19.576 1.00 0.00 H new ATOM 0 HG3 GLN A 490 5.164 18.727 20.800 1.00 0.00 H new ATOM 0 HE21 GLN A 490 5.385 20.513 22.474 1.00 0.00 H new ATOM 0 HE22 GLN A 490 3.935 21.429 22.896 1.00 0.00 H new ATOM 250 N ALA A 491 6.358 20.212 16.063 1.00 0.00 N ATOM 251 CA ALA A 491 6.860 20.947 14.907 1.00 0.00 C ATOM 252 C ALA A 491 6.751 22.463 15.129 1.00 0.00 C ATOM 253 O ALA A 491 5.662 23.044 15.057 1.00 0.00 O ATOM 254 CB ALA A 491 6.120 20.513 13.636 1.00 0.00 C ATOM 0 H ALA A 491 5.464 19.750 15.896 1.00 0.00 H new ATOM 0 HA ALA A 491 7.917 20.711 14.780 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.506 21.070 12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.273 19.446 13.472 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.055 20.714 13.749 1.00 0.00 H new ATOM 260 N ARG A 492 7.888 23.110 15.391 1.00 0.00 N ATOM 261 CA ARG A 492 8.003 24.573 15.506 1.00 0.00 C ATOM 262 C ARG A 492 8.033 25.268 14.139 1.00 0.00 C ATOM 263 O ARG A 492 7.778 26.471 14.059 1.00 0.00 O ATOM 264 CB ARG A 492 9.268 24.920 16.309 1.00 0.00 C ATOM 265 CG ARG A 492 9.248 24.367 17.747 1.00 0.00 C ATOM 266 CD ARG A 492 10.377 23.357 18.012 1.00 0.00 C ATOM 267 NE ARG A 492 10.544 23.078 19.454 1.00 0.00 N ATOM 268 CZ ARG A 492 11.275 23.766 20.318 1.00 0.00 C ATOM 269 NH1 ARG A 492 11.945 24.832 19.978 1.00 0.00 N ATOM 270 NH2 ARG A 492 11.346 23.392 21.565 1.00 0.00 N ATOM 0 H ARG A 492 8.775 22.626 15.533 1.00 0.00 H new ATOM 0 HA ARG A 492 7.117 24.939 16.025 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.140 24.526 15.788 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.381 26.004 16.345 1.00 0.00 H new ATOM 0 HG2 ARG A 492 9.334 25.195 18.451 1.00 0.00 H new ATOM 0 HG3 ARG A 492 8.287 23.888 17.934 1.00 0.00 H new ATOM 0 HD2 ARG A 492 10.162 22.427 17.485 1.00 0.00 H new ATOM 0 HD3 ARG A 492 11.312 23.744 17.607 1.00 0.00 H new ATOM 0 HE ARG A 492 10.043 22.270 19.823 1.00 0.00 H new ATOM 0 HH11 ARG A 492 11.918 25.165 19.014 1.00 0.00 H new ATOM 0 HH12 ARG A 492 12.496 25.332 20.676 1.00 0.00 H new ATOM 0 HH21 ARG A 492 10.837 22.566 21.879 1.00 0.00 H new ATOM 0 HH22 ARG A 492 11.910 23.926 22.226 1.00 0.00 H new ATOM 284 N ASN A 493 8.331 24.515 13.074 1.00 0.00 N ATOM 285 CA ASN A 493 8.518 25.015 11.700 1.00 0.00 C ATOM 286 C ASN A 493 8.044 23.992 10.644 1.00 0.00 C ATOM 287 O ASN A 493 7.766 22.834 10.960 1.00 0.00 O ATOM 288 CB ASN A 493 10.010 25.356 11.480 1.00 0.00 C ATOM 289 CG ASN A 493 10.551 26.418 12.424 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.336 27.610 12.245 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.281 26.022 13.441 1.00 0.00 N ATOM 0 H ASN A 493 8.454 23.505 13.144 1.00 0.00 H new ATOM 0 HA ASN A 493 7.909 25.911 11.578 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.600 24.447 11.597 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.146 25.695 10.453 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.672 26.709 14.086 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.457 25.028 13.586 1.00 0.00 H new ATOM 298 N SER A 494 7.991 24.400 9.371 1.00 0.00 N ATOM 299 CA SER A 494 7.588 23.532 8.245 1.00 0.00 C ATOM 300 C SER A 494 8.645 22.483 7.845 1.00 0.00 C ATOM 301 O SER A 494 8.315 21.501 7.179 1.00 0.00 O ATOM 302 CB SER A 494 7.241 24.382 7.011 1.00 0.00 C ATOM 303 OG SER A 494 6.418 25.491 7.350 1.00 0.00 O ATOM 0 H SER A 494 8.228 25.350 9.085 1.00 0.00 H new ATOM 0 HA SER A 494 6.716 22.985 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.160 24.739 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 494 6.731 23.762 6.274 1.00 0.00 H new ATOM 0 HG SER A 494 6.219 26.009 6.543 1.00 0.00 H new ATOM 309 N SER A 495 9.912 22.669 8.246 1.00 0.00 N ATOM 310 CA SER A 495 11.020 21.714 8.026 1.00 0.00 C ATOM 311 C SER A 495 11.023 20.503 8.968 1.00 0.00 C ATOM 312 O SER A 495 11.751 19.536 8.751 1.00 0.00 O ATOM 313 CB SER A 495 12.373 22.432 8.142 1.00 0.00 C ATOM 314 OG SER A 495 12.405 23.267 9.292 1.00 0.00 O ATOM 0 H SER A 495 10.207 23.508 8.746 1.00 0.00 H new ATOM 0 HA SER A 495 10.860 21.326 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.176 21.697 8.198 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.550 23.030 7.248 1.00 0.00 H new ATOM 0 HG SER A 495 13.276 23.713 9.348 1.00 0.00 H new ATOM 320 N GLU A 496 10.195 20.534 10.002 1.00 0.00 N ATOM 321 CA GLU A 496 10.141 19.564 11.096 1.00 0.00 C ATOM 322 C GLU A 496 8.736 18.962 11.250 1.00 0.00 C ATOM 323 O GLU A 496 7.806 19.270 10.498 1.00 0.00 O ATOM 324 CB GLU A 496 10.666 20.209 12.396 1.00 0.00 C ATOM 325 CG GLU A 496 10.057 21.577 12.691 1.00 0.00 C ATOM 326 CD GLU A 496 10.717 22.228 13.915 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.383 21.820 15.045 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.514 23.187 13.749 1.00 0.00 O ATOM 0 H GLU A 496 9.503 21.276 10.110 1.00 0.00 H new ATOM 0 HA GLU A 496 10.795 18.725 10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.459 19.541 13.232 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.749 20.310 12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.176 22.225 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 496 8.986 21.471 12.866 1.00 0.00 H new ATOM 335 N LEU A 497 8.605 18.060 12.220 1.00 0.00 N ATOM 336 CA LEU A 497 7.417 17.234 12.447 1.00 0.00 C ATOM 337 C LEU A 497 7.056 17.103 13.932 1.00 0.00 C ATOM 338 O LEU A 497 7.882 17.307 14.821 1.00 0.00 O ATOM 339 CB LEU A 497 7.635 15.830 11.848 1.00 0.00 C ATOM 340 CG LEU A 497 7.577 15.724 10.317 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.939 14.292 9.927 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.192 16.032 9.744 1.00 0.00 C ATOM 0 H LEU A 497 9.348 17.876 12.894 1.00 0.00 H new ATOM 0 HA LEU A 497 6.584 17.736 11.954 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.607 15.465 12.179 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.883 15.160 12.266 1.00 0.00 H new ATOM 0 HG LEU A 497 8.272 16.460 9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.905 14.191 8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.944 14.061 10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.227 13.601 10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.219 15.940 8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.465 15.328 10.150 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.904 17.048 10.015 1.00 0.00 H new ATOM 354 N SER A 498 5.792 16.754 14.179 1.00 0.00 N ATOM 355 CA SER A 498 5.197 16.614 15.510 1.00 0.00 C ATOM 356 C SER A 498 4.905 15.134 15.768 1.00 0.00 C ATOM 357 O SER A 498 4.035 14.543 15.122 1.00 0.00 O ATOM 358 CB SER A 498 3.917 17.463 15.575 1.00 0.00 C ATOM 359 OG SER A 498 3.447 17.593 16.903 1.00 0.00 O ATOM 0 H SER A 498 5.130 16.554 13.430 1.00 0.00 H new ATOM 0 HA SER A 498 5.880 16.967 16.282 1.00 0.00 H new ATOM 0 HB2 SER A 498 4.113 18.451 15.159 1.00 0.00 H new ATOM 0 HB3 SER A 498 3.144 17.005 14.958 1.00 0.00 H new ATOM 0 HG SER A 498 2.634 18.139 16.910 1.00 0.00 H new ATOM 365 N VAL A 499 5.648 14.532 16.701 1.00 0.00 N ATOM 366 CA VAL A 499 5.652 13.088 16.991 1.00 0.00 C ATOM 367 C VAL A 499 5.531 12.869 18.498 1.00 0.00 C ATOM 368 O VAL A 499 5.835 13.753 19.300 1.00 0.00 O ATOM 369 CB VAL A 499 6.912 12.374 16.439 1.00 0.00 C ATOM 370 CG1 VAL A 499 7.034 12.501 14.917 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.221 12.862 17.073 1.00 0.00 C ATOM 0 H VAL A 499 6.289 15.053 17.300 1.00 0.00 H new ATOM 0 HA VAL A 499 4.795 12.647 16.483 1.00 0.00 H new ATOM 0 HB VAL A 499 6.767 11.328 16.711 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.933 11.984 14.580 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.159 12.055 14.443 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.097 13.554 14.644 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.060 12.319 16.639 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.342 13.928 16.883 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.192 12.686 18.148 1.00 0.00 H new ATOM 381 N LYS A 500 5.106 11.678 18.906 1.00 0.00 N ATOM 382 CA LYS A 500 4.866 11.338 20.312 1.00 0.00 C ATOM 383 C LYS A 500 5.529 10.011 20.659 1.00 0.00 C ATOM 384 O LYS A 500 5.702 9.145 19.803 1.00 0.00 O ATOM 385 CB LYS A 500 3.359 11.396 20.622 1.00 0.00 C ATOM 386 CG LYS A 500 2.517 10.470 19.733 1.00 0.00 C ATOM 387 CD LYS A 500 1.019 10.560 20.047 1.00 0.00 C ATOM 388 CE LYS A 500 0.399 11.859 19.512 1.00 0.00 C ATOM 389 NZ LYS A 500 -1.064 11.916 19.779 1.00 0.00 N ATOM 0 H LYS A 500 4.915 10.909 18.264 1.00 0.00 H new ATOM 0 HA LYS A 500 5.333 12.077 20.963 1.00 0.00 H new ATOM 0 HB2 LYS A 500 3.200 11.128 21.666 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.010 12.421 20.499 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.682 10.727 18.687 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.852 9.441 19.865 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.504 9.705 19.609 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.870 10.504 21.125 1.00 0.00 H new ATOM 0 HE2 LYS A 500 0.888 12.715 19.977 1.00 0.00 H new ATOM 0 HE3 LYS A 500 0.577 11.934 18.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -1.451 12.806 19.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 -1.533 11.112 19.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 -1.232 11.870 20.804 1.00 0.00 H new ATOM 403 N GLN A 501 5.936 9.871 21.917 1.00 0.00 N ATOM 404 CA GLN A 501 6.543 8.638 22.414 1.00 0.00 C ATOM 405 C GLN A 501 5.640 7.418 22.186 1.00 0.00 C ATOM 406 O GLN A 501 4.410 7.530 22.187 1.00 0.00 O ATOM 407 CB GLN A 501 6.971 8.774 23.882 1.00 0.00 C ATOM 408 CG GLN A 501 5.864 9.308 24.812 1.00 0.00 C ATOM 409 CD GLN A 501 6.181 9.116 26.298 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.591 8.052 26.749 1.00 0.00 O ATOM 411 NE2 GLN A 501 5.978 10.120 27.127 1.00 0.00 N ATOM 0 H GLN A 501 5.855 10.606 22.620 1.00 0.00 H new ATOM 0 HA GLN A 501 7.448 8.467 21.830 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.298 7.800 24.246 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.831 9.441 23.938 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.712 10.369 24.614 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.927 8.803 24.579 1.00 0.00 H new ATOM 0 HE21 GLN A 501 5.637 11.013 26.772 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.162 10.004 28.124 1.00 0.00 H new ATOM 420 N ARG A 502 6.279 6.252 22.016 1.00 0.00 N ATOM 421 CA ARG A 502 5.654 4.947 21.721 1.00 0.00 C ATOM 422 C ARG A 502 5.123 4.813 20.278 1.00 0.00 C ATOM 423 O ARG A 502 4.385 3.869 19.985 1.00 0.00 O ATOM 424 CB ARG A 502 4.600 4.550 22.782 1.00 0.00 C ATOM 425 CG ARG A 502 5.001 4.780 24.252 1.00 0.00 C ATOM 426 CD ARG A 502 6.219 3.965 24.712 1.00 0.00 C ATOM 427 NE ARG A 502 5.951 2.510 24.718 1.00 0.00 N ATOM 428 CZ ARG A 502 5.229 1.832 25.596 1.00 0.00 C ATOM 429 NH1 ARG A 502 4.665 2.397 26.629 1.00 0.00 N ATOM 430 NH2 ARG A 502 5.051 0.550 25.451 1.00 0.00 N ATOM 0 H ARG A 502 7.295 6.186 22.083 1.00 0.00 H new ATOM 0 HA ARG A 502 6.464 4.220 21.788 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.686 5.109 22.584 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.362 3.494 22.652 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.212 5.839 24.397 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.152 4.534 24.890 1.00 0.00 H new ATOM 0 HD2 ARG A 502 7.063 4.174 24.054 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.509 4.283 25.713 1.00 0.00 H new ATOM 0 HE ARG A 502 6.369 1.969 23.961 1.00 0.00 H new ATOM 0 HH11 ARG A 502 4.773 3.399 26.784 1.00 0.00 H new ATOM 0 HH12 ARG A 502 4.117 1.836 27.281 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.469 0.064 24.658 1.00 0.00 H new ATOM 0 HH22 ARG A 502 4.494 0.032 26.131 1.00 0.00 H new ATOM 444 N ASP A 503 5.530 5.707 19.368 1.00 0.00 N ATOM 445 CA ASP A 503 5.167 5.660 17.938 1.00 0.00 C ATOM 446 C ASP A 503 6.367 5.247 17.079 1.00 0.00 C ATOM 447 O ASP A 503 7.498 5.649 17.355 1.00 0.00 O ATOM 448 CB ASP A 503 4.669 7.027 17.429 1.00 0.00 C ATOM 449 CG ASP A 503 3.224 7.382 17.832 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.612 6.715 18.702 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.662 8.318 17.213 1.00 0.00 O ATOM 0 H ASP A 503 6.130 6.497 19.604 1.00 0.00 H new ATOM 0 HA ASP A 503 4.367 4.925 17.850 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.336 7.803 17.804 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.742 7.042 16.342 1.00 0.00 H new ATOM 456 N VAL A 504 6.109 4.496 16.005 1.00 0.00 N ATOM 457 CA VAL A 504 7.134 4.010 15.066 1.00 0.00 C ATOM 458 C VAL A 504 6.987 4.728 13.723 1.00 0.00 C ATOM 459 O VAL A 504 5.875 4.891 13.211 1.00 0.00 O ATOM 460 CB VAL A 504 7.059 2.480 14.901 1.00 0.00 C ATOM 461 CG1 VAL A 504 8.136 1.963 13.938 1.00 0.00 C ATOM 462 CG2 VAL A 504 7.255 1.761 16.242 1.00 0.00 C ATOM 0 H VAL A 504 5.165 4.201 15.755 1.00 0.00 H new ATOM 0 HA VAL A 504 8.119 4.237 15.473 1.00 0.00 H new ATOM 0 HB VAL A 504 6.067 2.268 14.502 1.00 0.00 H new ATOM 0 HG11 VAL A 504 8.053 0.880 13.846 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.999 2.422 12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 504 9.123 2.219 14.324 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.196 0.683 16.089 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.232 2.016 16.652 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.476 2.072 16.939 1.00 0.00 H new ATOM 472 N LEU A 505 8.115 5.163 13.154 1.00 0.00 N ATOM 473 CA LEU A 505 8.191 6.022 11.968 1.00 0.00 C ATOM 474 C LEU A 505 9.194 5.435 10.964 1.00 0.00 C ATOM 475 O LEU A 505 10.217 4.861 11.350 1.00 0.00 O ATOM 476 CB LEU A 505 8.612 7.449 12.386 1.00 0.00 C ATOM 477 CG LEU A 505 7.755 8.104 13.495 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.498 9.305 14.074 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.394 8.597 12.996 1.00 0.00 C ATOM 0 H LEU A 505 9.035 4.918 13.520 1.00 0.00 H new ATOM 0 HA LEU A 505 7.212 6.072 11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.648 7.418 12.724 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.583 8.089 11.504 1.00 0.00 H new ATOM 0 HG LEU A 505 7.584 7.331 14.244 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.893 9.765 14.855 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.447 8.976 14.497 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.685 10.032 13.284 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.844 9.045 13.823 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.541 9.341 12.213 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.827 7.756 12.596 1.00 0.00 H new ATOM 491 N GLU A 506 8.910 5.590 9.672 1.00 0.00 N ATOM 492 CA GLU A 506 9.826 5.219 8.591 1.00 0.00 C ATOM 493 C GLU A 506 10.848 6.343 8.374 1.00 0.00 C ATOM 494 O GLU A 506 10.482 7.447 7.964 1.00 0.00 O ATOM 495 CB GLU A 506 9.020 4.933 7.311 1.00 0.00 C ATOM 496 CG GLU A 506 9.923 4.637 6.104 1.00 0.00 C ATOM 497 CD GLU A 506 9.139 4.168 4.860 1.00 0.00 C ATOM 498 OE1 GLU A 506 8.006 4.649 4.611 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.672 3.318 4.105 1.00 0.00 O ATOM 0 H GLU A 506 8.028 5.981 9.341 1.00 0.00 H new ATOM 0 HA GLU A 506 10.372 4.314 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.359 4.084 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.386 5.790 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.488 5.534 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.647 3.871 6.379 1.00 0.00 H new ATOM 506 N VAL A 507 12.129 6.078 8.648 1.00 0.00 N ATOM 507 CA VAL A 507 13.232 6.962 8.229 1.00 0.00 C ATOM 508 C VAL A 507 13.473 6.869 6.719 1.00 0.00 C ATOM 509 O VAL A 507 13.174 5.858 6.087 1.00 0.00 O ATOM 510 CB VAL A 507 14.514 6.664 9.034 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.067 5.253 8.874 1.00 0.00 C ATOM 512 CG2 VAL A 507 15.623 7.688 8.781 1.00 0.00 C ATOM 0 H VAL A 507 12.434 5.252 9.163 1.00 0.00 H new ATOM 0 HA VAL A 507 12.943 7.990 8.446 1.00 0.00 H new ATOM 0 HB VAL A 507 14.179 6.747 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 507 15.967 5.144 9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 507 14.320 4.530 9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.310 5.074 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 507 16.500 7.428 9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.886 7.686 7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 507 15.274 8.680 9.066 1.00 0.00 H new ATOM 522 N LEU A 508 14.050 7.932 6.165 1.00 0.00 N ATOM 523 CA LEU A 508 14.381 8.143 4.760 1.00 0.00 C ATOM 524 C LEU A 508 15.846 8.610 4.579 1.00 0.00 C ATOM 525 O LEU A 508 16.439 8.370 3.525 1.00 0.00 O ATOM 526 CB LEU A 508 13.433 9.203 4.162 1.00 0.00 C ATOM 527 CG LEU A 508 11.929 9.078 4.485 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.203 10.319 3.966 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.289 7.845 3.850 1.00 0.00 C ATOM 0 H LEU A 508 14.320 8.734 6.735 1.00 0.00 H new ATOM 0 HA LEU A 508 14.263 7.191 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.769 10.183 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.547 9.183 3.078 1.00 0.00 H new ATOM 0 HG LEU A 508 11.839 8.982 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.139 10.239 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.610 11.207 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.342 10.397 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.231 7.809 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.394 7.898 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.785 6.947 4.219 1.00 0.00 H new ATOM 541 N ASP A 509 16.443 9.249 5.598 1.00 0.00 N ATOM 542 CA ASP A 509 17.868 9.616 5.655 1.00 0.00 C ATOM 543 C ASP A 509 18.350 9.759 7.115 1.00 0.00 C ATOM 544 O ASP A 509 17.608 10.239 7.976 1.00 0.00 O ATOM 545 CB ASP A 509 18.117 10.932 4.896 1.00 0.00 C ATOM 546 CG ASP A 509 19.612 11.302 4.900 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.430 10.512 4.374 1.00 0.00 O ATOM 548 OD2 ASP A 509 19.978 12.372 5.443 1.00 0.00 O ATOM 0 H ASP A 509 15.930 9.534 6.433 1.00 0.00 H new ATOM 0 HA ASP A 509 18.435 8.815 5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.766 10.834 3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.540 11.735 5.355 1.00 0.00 H new ATOM 553 N ASP A 510 19.597 9.354 7.380 1.00 0.00 N ATOM 554 CA ASP A 510 20.166 9.137 8.724 1.00 0.00 C ATOM 555 C ASP A 510 21.667 9.515 8.838 1.00 0.00 C ATOM 556 O ASP A 510 22.377 9.047 9.733 1.00 0.00 O ATOM 557 CB ASP A 510 19.905 7.674 9.145 1.00 0.00 C ATOM 558 CG ASP A 510 20.357 6.639 8.098 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.577 6.518 7.831 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.492 5.922 7.537 1.00 0.00 O ATOM 0 H ASP A 510 20.268 9.159 6.637 1.00 0.00 H new ATOM 0 HA ASP A 510 19.663 9.816 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.422 7.478 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.840 7.544 9.335 1.00 0.00 H new ATOM 565 N SER A 511 22.176 10.366 7.936 1.00 0.00 N ATOM 566 CA SER A 511 23.616 10.665 7.788 1.00 0.00 C ATOM 567 C SER A 511 24.090 11.830 8.677 1.00 0.00 C ATOM 568 O SER A 511 25.281 12.159 8.715 1.00 0.00 O ATOM 569 CB SER A 511 23.905 10.940 6.302 1.00 0.00 C ATOM 570 OG SER A 511 25.280 10.787 5.981 1.00 0.00 O ATOM 0 H SER A 511 21.592 10.877 7.275 1.00 0.00 H new ATOM 0 HA SER A 511 24.182 9.798 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.313 10.261 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.587 11.953 6.054 1.00 0.00 H new ATOM 0 HG SER A 511 25.828 11.155 6.705 1.00 0.00 H new ATOM 576 N ARG A 512 23.158 12.453 9.411 1.00 0.00 N ATOM 577 CA ARG A 512 23.341 13.668 10.222 1.00 0.00 C ATOM 578 C ARG A 512 22.511 13.632 11.519 1.00 0.00 C ATOM 579 O ARG A 512 21.730 12.706 11.741 1.00 0.00 O ATOM 580 CB ARG A 512 22.993 14.887 9.339 1.00 0.00 C ATOM 581 CG ARG A 512 24.139 15.273 8.384 1.00 0.00 C ATOM 582 CD ARG A 512 24.110 16.773 8.044 1.00 0.00 C ATOM 583 NE ARG A 512 25.196 17.141 7.109 1.00 0.00 N ATOM 584 CZ ARG A 512 26.088 18.114 7.223 1.00 0.00 C ATOM 585 NH1 ARG A 512 26.152 18.907 8.257 1.00 0.00 N ATOM 586 NH2 ARG A 512 26.958 18.312 6.274 1.00 0.00 N ATOM 0 H ARG A 512 22.201 12.104 9.458 1.00 0.00 H new ATOM 0 HA ARG A 512 24.378 13.738 10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 512 22.099 14.666 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.755 15.738 9.978 1.00 0.00 H new ATOM 0 HG2 ARG A 512 25.096 15.021 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 512 24.061 14.690 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 512 23.147 17.028 7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 512 24.205 17.356 8.960 1.00 0.00 H new ATOM 0 HE ARG A 512 25.267 16.571 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 512 25.495 18.793 9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 512 26.859 19.641 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 512 26.952 17.718 5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 512 27.645 19.061 6.360 1.00 0.00 H new ATOM 600 N LYS A 513 22.683 14.649 12.377 1.00 0.00 N ATOM 601 CA LYS A 513 22.072 14.784 13.722 1.00 0.00 C ATOM 602 C LYS A 513 20.537 14.761 13.763 1.00 0.00 C ATOM 603 O LYS A 513 19.957 14.482 14.810 1.00 0.00 O ATOM 604 CB LYS A 513 22.543 16.101 14.369 1.00 0.00 C ATOM 605 CG LYS A 513 24.054 16.239 14.596 1.00 0.00 C ATOM 606 CD LYS A 513 24.597 15.258 15.643 1.00 0.00 C ATOM 607 CE LYS A 513 26.070 15.585 15.918 1.00 0.00 C ATOM 608 NZ LYS A 513 26.676 14.638 16.892 1.00 0.00 N ATOM 0 H LYS A 513 23.281 15.443 12.147 1.00 0.00 H new ATOM 0 HA LYS A 513 22.405 13.900 14.265 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.213 16.929 13.741 1.00 0.00 H new ATOM 0 HB3 LYS A 513 22.040 16.210 15.330 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.574 16.077 13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.276 17.258 14.912 1.00 0.00 H new ATOM 0 HD2 LYS A 513 24.017 15.331 16.563 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.499 14.233 15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.630 15.552 14.983 1.00 0.00 H new ATOM 0 HE3 LYS A 513 26.151 16.602 16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.672 14.893 17.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 26.158 14.687 17.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.623 13.670 16.515 1.00 0.00 H new ATOM 622 N TRP A 514 19.865 15.060 12.654 1.00 0.00 N ATOM 623 CA TRP A 514 18.402 15.028 12.557 1.00 0.00 C ATOM 624 C TRP A 514 17.995 14.186 11.354 1.00 0.00 C ATOM 625 O TRP A 514 18.372 14.477 10.215 1.00 0.00 O ATOM 626 CB TRP A 514 17.819 16.436 12.446 1.00 0.00 C ATOM 627 CG TRP A 514 17.818 17.282 13.688 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.881 17.633 14.453 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.665 17.922 14.312 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.460 18.400 15.522 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.097 18.609 15.484 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.293 17.998 13.994 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.204 19.308 16.307 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.388 18.703 14.805 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.841 19.350 15.972 1.00 0.00 C ATOM 0 H TRP A 514 20.323 15.335 11.785 1.00 0.00 H new ATOM 0 HA TRP A 514 18.003 14.581 13.468 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.373 16.971 11.674 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.790 16.348 12.097 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.906 17.354 14.256 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.078 18.765 16.247 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.929 17.502 13.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.562 19.811 17.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.344 18.749 14.534 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.143 19.876 16.606 1.00 0.00 H new ATOM 646 N TRP A 515 17.256 13.112 11.619 1.00 0.00 N ATOM 647 CA TRP A 515 16.858 12.148 10.596 1.00 0.00 C ATOM 648 C TRP A 515 15.581 12.613 9.896 1.00 0.00 C ATOM 649 O TRP A 515 14.675 13.176 10.523 1.00 0.00 O ATOM 650 CB TRP A 515 16.694 10.760 11.226 1.00 0.00 C ATOM 651 CG TRP A 515 17.951 10.093 11.719 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.165 10.673 11.879 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.144 8.692 12.086 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.079 9.749 12.335 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.499 8.513 12.501 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.321 7.545 12.080 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.001 7.276 12.927 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.822 6.293 12.492 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.147 6.163 12.943 1.00 0.00 C ATOM 0 H TRP A 515 16.915 12.885 12.553 1.00 0.00 H new ATOM 0 HA TRP A 515 17.637 12.080 9.836 1.00 0.00 H new ATOM 0 HB2 TRP A 515 16.002 10.845 12.064 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.226 10.105 10.491 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.385 11.711 11.678 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.060 9.955 12.525 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.294 7.628 11.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.031 7.181 13.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.181 5.425 12.461 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.506 5.209 13.301 1.00 0.00 H new ATOM 670 N LYS A 516 15.511 12.368 8.586 1.00 0.00 N ATOM 671 CA LYS A 516 14.340 12.626 7.759 1.00 0.00 C ATOM 672 C LYS A 516 13.454 11.399 7.847 1.00 0.00 C ATOM 673 O LYS A 516 13.845 10.334 7.388 1.00 0.00 O ATOM 674 CB LYS A 516 14.779 12.941 6.322 1.00 0.00 C ATOM 675 CG LYS A 516 13.591 13.459 5.508 1.00 0.00 C ATOM 676 CD LYS A 516 14.011 13.804 4.077 1.00 0.00 C ATOM 677 CE LYS A 516 12.803 14.315 3.280 1.00 0.00 C ATOM 678 NZ LYS A 516 13.198 14.777 1.919 1.00 0.00 N ATOM 0 H LYS A 516 16.291 11.974 8.061 1.00 0.00 H new ATOM 0 HA LYS A 516 13.778 13.494 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.575 13.686 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.187 12.045 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.804 12.705 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.173 14.343 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.793 14.563 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.431 12.923 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.061 13.521 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.331 15.135 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.357 15.115 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.887 15.551 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.626 13.987 1.395 1.00 0.00 H new ATOM 692 N VAL A 517 12.293 11.536 8.465 1.00 0.00 N ATOM 693 CA VAL A 517 11.302 10.461 8.656 1.00 0.00 C ATOM 694 C VAL A 517 9.945 10.831 8.046 1.00 0.00 C ATOM 695 O VAL A 517 9.768 11.941 7.535 1.00 0.00 O ATOM 696 CB VAL A 517 11.164 10.070 10.148 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.503 9.770 10.836 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.462 11.163 10.960 1.00 0.00 C ATOM 0 H VAL A 517 11.993 12.425 8.866 1.00 0.00 H new ATOM 0 HA VAL A 517 11.671 9.584 8.124 1.00 0.00 H new ATOM 0 HB VAL A 517 10.568 9.157 10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.325 9.504 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 517 12.995 8.940 10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.141 10.653 10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.385 10.850 12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 517 11.037 12.087 10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.463 11.331 10.557 1.00 0.00 H new ATOM 708 N ARG A 518 8.972 9.915 8.130 1.00 0.00 N ATOM 709 CA ARG A 518 7.571 10.142 7.754 1.00 0.00 C ATOM 710 C ARG A 518 6.624 9.627 8.838 1.00 0.00 C ATOM 711 O ARG A 518 6.732 8.475 9.264 1.00 0.00 O ATOM 712 CB ARG A 518 7.304 9.523 6.368 1.00 0.00 C ATOM 713 CG ARG A 518 5.892 9.846 5.852 1.00 0.00 C ATOM 714 CD ARG A 518 5.720 9.615 4.346 1.00 0.00 C ATOM 715 NE ARG A 518 5.561 8.191 3.997 1.00 0.00 N ATOM 716 CZ ARG A 518 5.155 7.726 2.827 1.00 0.00 C ATOM 717 NH1 ARG A 518 4.898 8.514 1.818 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.992 6.447 2.645 1.00 0.00 N ATOM 0 H ARG A 518 9.143 8.969 8.471 1.00 0.00 H new ATOM 0 HA ARG A 518 7.378 11.212 7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 518 8.043 9.894 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.430 8.442 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.169 9.233 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.660 10.886 6.080 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.849 10.169 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.586 10.018 3.821 1.00 0.00 H new ATOM 0 HE ARG A 518 5.783 7.506 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.009 9.523 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.587 8.120 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 518 5.178 5.796 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.679 6.097 1.740 1.00 0.00 H new ATOM 732 N ASP A 519 5.705 10.484 9.291 1.00 0.00 N ATOM 733 CA ASP A 519 4.628 10.088 10.201 1.00 0.00 C ATOM 734 C ASP A 519 3.612 9.175 9.490 1.00 0.00 C ATOM 735 O ASP A 519 3.437 9.278 8.271 1.00 0.00 O ATOM 736 CB ASP A 519 3.921 11.328 10.749 1.00 0.00 C ATOM 737 CG ASP A 519 4.476 11.829 12.086 1.00 0.00 C ATOM 738 OD1 ASP A 519 4.102 11.256 13.132 1.00 0.00 O ATOM 739 OD2 ASP A 519 5.229 12.836 12.077 1.00 0.00 O ATOM 0 H ASP A 519 5.687 11.472 9.037 1.00 0.00 H new ATOM 0 HA ASP A 519 5.069 9.531 11.027 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.996 12.130 10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.861 11.104 10.870 1.00 0.00 H new ATOM 744 N PRO A 520 2.859 8.346 10.236 1.00 0.00 N ATOM 745 CA PRO A 520 1.886 7.415 9.669 1.00 0.00 C ATOM 746 C PRO A 520 0.687 8.112 8.986 1.00 0.00 C ATOM 747 O PRO A 520 -0.075 7.467 8.259 1.00 0.00 O ATOM 748 CB PRO A 520 1.450 6.529 10.841 1.00 0.00 C ATOM 749 CG PRO A 520 1.645 7.426 12.062 1.00 0.00 C ATOM 750 CD PRO A 520 2.869 8.256 11.685 1.00 0.00 C ATOM 0 HA PRO A 520 2.334 6.836 8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.412 6.211 10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 520 2.055 5.625 10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.773 8.053 12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.815 6.844 12.968 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.824 9.246 12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.785 7.784 12.041 1.00 0.00 H new ATOM 758 N ALA A 521 0.524 9.427 9.193 1.00 0.00 N ATOM 759 CA ALA A 521 -0.480 10.277 8.552 1.00 0.00 C ATOM 760 C ALA A 521 -0.066 10.758 7.145 1.00 0.00 C ATOM 761 O ALA A 521 -0.907 11.270 6.400 1.00 0.00 O ATOM 762 CB ALA A 521 -0.712 11.483 9.471 1.00 0.00 C ATOM 0 H ALA A 521 1.116 9.946 9.841 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.389 9.692 8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.457 12.142 9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.067 11.138 10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.223 12.028 9.600 1.00 0.00 H new ATOM 768 N GLY A 522 1.216 10.613 6.782 1.00 0.00 N ATOM 769 CA GLY A 522 1.739 10.941 5.452 1.00 0.00 C ATOM 770 C GLY A 522 2.580 12.216 5.369 1.00 0.00 C ATOM 771 O GLY A 522 2.558 12.895 4.339 1.00 0.00 O ATOM 0 H GLY A 522 1.930 10.258 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.344 10.104 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.899 11.036 4.764 1.00 0.00 H new ATOM 775 N GLN A 523 3.286 12.573 6.446 1.00 0.00 N ATOM 776 CA GLN A 523 3.967 13.867 6.594 1.00 0.00 C ATOM 777 C GLN A 523 5.467 13.666 6.796 1.00 0.00 C ATOM 778 O GLN A 523 5.862 12.910 7.680 1.00 0.00 O ATOM 779 CB GLN A 523 3.387 14.609 7.805 1.00 0.00 C ATOM 780 CG GLN A 523 1.864 14.746 7.740 1.00 0.00 C ATOM 781 CD GLN A 523 1.320 15.818 8.685 1.00 0.00 C ATOM 782 OE1 GLN A 523 0.778 16.835 8.269 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.438 15.645 9.986 1.00 0.00 N ATOM 0 H GLN A 523 3.404 11.962 7.254 1.00 0.00 H new ATOM 0 HA GLN A 523 3.811 14.451 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.661 14.078 8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.835 15.601 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.570 14.987 6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.408 13.787 7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 523 1.886 14.804 10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.081 16.352 10.629 1.00 0.00 H new ATOM 792 N GLU A 524 6.294 14.347 6.002 1.00 0.00 N ATOM 793 CA GLU A 524 7.758 14.211 6.004 1.00 0.00 C ATOM 794 C GLU A 524 8.448 15.490 6.507 1.00 0.00 C ATOM 795 O GLU A 524 7.945 16.605 6.336 1.00 0.00 O ATOM 796 CB GLU A 524 8.280 13.899 4.592 1.00 0.00 C ATOM 797 CG GLU A 524 7.739 12.592 3.992 1.00 0.00 C ATOM 798 CD GLU A 524 7.769 12.593 2.448 1.00 0.00 C ATOM 799 OE1 GLU A 524 8.815 12.941 1.847 1.00 0.00 O ATOM 800 OE2 GLU A 524 6.739 12.239 1.819 1.00 0.00 O ATOM 0 H GLU A 524 5.959 15.028 5.320 1.00 0.00 H new ATOM 0 HA GLU A 524 7.994 13.389 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.018 14.725 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.368 13.848 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.329 11.754 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.715 12.436 4.332 1.00 0.00 H new ATOM 807 N GLY A 525 9.620 15.323 7.119 1.00 0.00 N ATOM 808 CA GLY A 525 10.397 16.397 7.741 1.00 0.00 C ATOM 809 C GLY A 525 11.490 15.835 8.651 1.00 0.00 C ATOM 810 O GLY A 525 11.783 14.637 8.614 1.00 0.00 O ATOM 0 H GLY A 525 10.069 14.411 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.848 17.018 6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.734 17.041 8.319 1.00 0.00 H new ATOM 814 N TYR A 526 12.071 16.692 9.489 1.00 0.00 N ATOM 815 CA TYR A 526 13.205 16.350 10.350 1.00 0.00 C ATOM 816 C TYR A 526 12.803 16.229 11.824 1.00 0.00 C ATOM 817 O TYR A 526 11.985 17.001 12.328 1.00 0.00 O ATOM 818 CB TYR A 526 14.317 17.390 10.150 1.00 0.00 C ATOM 819 CG TYR A 526 14.999 17.329 8.794 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.824 16.227 8.478 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.837 18.370 7.863 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.486 16.171 7.238 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.501 18.316 6.617 1.00 0.00 C ATOM 824 CZ TYR A 526 16.329 17.220 6.307 1.00 0.00 C ATOM 825 OH TYR A 526 16.988 17.178 5.116 1.00 0.00 O ATOM 0 H TYR A 526 11.763 17.659 9.591 1.00 0.00 H new ATOM 0 HA TYR A 526 13.575 15.366 10.062 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.895 18.386 10.286 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.069 17.254 10.927 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.947 15.425 9.191 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.204 19.212 8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 526 17.114 15.326 6.999 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.373 19.115 5.902 1.00 0.00 H new ATOM 0 HH TYR A 526 16.769 17.977 4.592 1.00 0.00 H new ATOM 835 N VAL A 527 13.432 15.274 12.517 1.00 0.00 N ATOM 836 CA VAL A 527 13.311 15.042 13.967 1.00 0.00 C ATOM 837 C VAL A 527 14.685 14.717 14.584 1.00 0.00 C ATOM 838 O VAL A 527 15.548 14.161 13.895 1.00 0.00 O ATOM 839 CB VAL A 527 12.303 13.914 14.285 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.868 14.321 13.932 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.625 12.590 13.585 1.00 0.00 C ATOM 0 H VAL A 527 14.066 14.613 12.068 1.00 0.00 H new ATOM 0 HA VAL A 527 12.933 15.963 14.411 1.00 0.00 H new ATOM 0 HB VAL A 527 12.392 13.756 15.360 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.189 13.502 14.170 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.588 15.203 14.507 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.805 14.547 12.868 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.876 11.845 13.854 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.618 12.738 12.505 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.610 12.244 13.897 1.00 0.00 H new ATOM 851 N PRO A 528 14.924 15.049 15.867 1.00 0.00 N ATOM 852 CA PRO A 528 16.218 14.856 16.522 1.00 0.00 C ATOM 853 C PRO A 528 16.544 13.372 16.727 1.00 0.00 C ATOM 854 O PRO A 528 15.697 12.600 17.179 1.00 0.00 O ATOM 855 CB PRO A 528 16.101 15.599 17.852 1.00 0.00 C ATOM 856 CG PRO A 528 14.608 15.595 18.162 1.00 0.00 C ATOM 857 CD PRO A 528 13.987 15.697 16.775 1.00 0.00 C ATOM 0 HA PRO A 528 17.037 15.239 15.913 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.671 15.101 18.636 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.487 16.615 17.774 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.302 14.685 18.678 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.323 16.433 18.798 1.00 0.00 H new ATOM 0 HD2 PRO A 528 13.014 15.207 16.746 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.828 16.738 16.494 1.00 0.00 H new ATOM 865 N TYR A 529 17.788 12.960 16.457 1.00 0.00 N ATOM 866 CA TYR A 529 18.184 11.553 16.636 1.00 0.00 C ATOM 867 C TYR A 529 18.120 11.066 18.094 1.00 0.00 C ATOM 868 O TYR A 529 17.999 9.862 18.322 1.00 0.00 O ATOM 869 CB TYR A 529 19.568 11.265 16.035 1.00 0.00 C ATOM 870 CG TYR A 529 20.766 11.531 16.947 1.00 0.00 C ATOM 871 CD1 TYR A 529 21.111 12.844 17.322 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.527 10.451 17.435 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.213 13.085 18.170 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.627 10.683 18.287 1.00 0.00 C ATOM 875 CZ TYR A 529 22.972 11.999 18.657 1.00 0.00 C ATOM 876 OH TYR A 529 24.030 12.214 19.487 1.00 0.00 O ATOM 0 H TYR A 529 18.532 13.570 16.118 1.00 0.00 H new ATOM 0 HA TYR A 529 17.437 10.982 16.086 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.597 10.220 15.726 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.683 11.867 15.134 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.526 13.675 16.957 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.267 9.441 17.156 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.475 14.096 18.445 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.207 9.850 18.657 1.00 0.00 H new ATOM 0 HH TYR A 529 24.438 11.356 19.726 1.00 0.00 H new ATOM 886 N ASN A 530 18.167 11.971 19.088 1.00 0.00 N ATOM 887 CA ASN A 530 18.166 11.569 20.500 1.00 0.00 C ATOM 888 C ASN A 530 16.843 10.907 20.944 1.00 0.00 C ATOM 889 O ASN A 530 16.859 10.082 21.861 1.00 0.00 O ATOM 890 CB ASN A 530 18.536 12.759 21.405 1.00 0.00 C ATOM 891 CG ASN A 530 17.322 13.589 21.787 1.00 0.00 C ATOM 892 OD1 ASN A 530 16.841 14.405 21.023 1.00 0.00 O ATOM 893 ND2 ASN A 530 16.747 13.352 22.944 1.00 0.00 N ATOM 0 H ASN A 530 18.206 12.979 18.938 1.00 0.00 H new ATOM 0 HA ASN A 530 18.932 10.801 20.608 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.020 12.389 22.309 1.00 0.00 H new ATOM 0 HB3 ASN A 530 19.260 13.392 20.892 1.00 0.00 H new ATOM 0 HD21 ASN A 530 15.897 13.852 23.203 1.00 0.00 H new ATOM 0 HD22 ASN A 530 17.151 12.668 23.584 1.00 0.00 H new ATOM 900 N ILE A 531 15.708 11.248 20.307 1.00 0.00 N ATOM 901 CA ILE A 531 14.407 10.627 20.613 1.00 0.00 C ATOM 902 C ILE A 531 14.178 9.348 19.803 1.00 0.00 C ATOM 903 O ILE A 531 13.253 8.609 20.118 1.00 0.00 O ATOM 904 CB ILE A 531 13.206 11.605 20.507 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.774 11.878 19.051 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.496 12.909 21.270 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.684 12.951 18.892 1.00 0.00 C ATOM 0 H ILE A 531 15.666 11.955 19.573 1.00 0.00 H new ATOM 0 HA ILE A 531 14.460 10.345 21.665 1.00 0.00 H new ATOM 0 HB ILE A 531 12.356 11.113 20.980 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.650 12.182 18.478 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.414 10.947 18.613 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.641 13.580 21.182 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.674 12.683 22.321 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.379 13.389 20.848 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.446 13.074 17.835 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.789 12.643 19.432 1.00 0.00 H new ATOM 0 HD13 ILE A 531 12.044 13.898 19.295 1.00 0.00 H new ATOM 919 N LEU A 532 14.998 9.057 18.788 1.00 0.00 N ATOM 920 CA LEU A 532 14.851 7.847 17.979 1.00 0.00 C ATOM 921 C LEU A 532 15.603 6.652 18.600 1.00 0.00 C ATOM 922 O LEU A 532 16.717 6.799 19.109 1.00 0.00 O ATOM 923 CB LEU A 532 15.345 8.151 16.553 1.00 0.00 C ATOM 924 CG LEU A 532 14.586 9.290 15.838 1.00 0.00 C ATOM 925 CD1 LEU A 532 15.141 9.448 14.423 1.00 0.00 C ATOM 926 CD2 LEU A 532 13.079 9.022 15.747 1.00 0.00 C ATOM 0 H LEU A 532 15.778 9.651 18.507 1.00 0.00 H new ATOM 0 HA LEU A 532 13.800 7.558 17.945 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.403 8.409 16.597 1.00 0.00 H new ATOM 0 HB3 LEU A 532 15.262 7.245 15.953 1.00 0.00 H new ATOM 0 HG LEU A 532 14.730 10.198 16.424 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.610 10.251 13.911 1.00 0.00 H new ATOM 0 HD12 LEU A 532 16.203 9.690 14.473 1.00 0.00 H new ATOM 0 HD13 LEU A 532 15.007 8.516 13.873 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.592 9.852 15.236 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.906 8.101 15.190 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.666 8.921 16.751 1.00 0.00 H new ATOM 938 N THR A 533 15.021 5.451 18.508 1.00 0.00 N ATOM 939 CA THR A 533 15.678 4.174 18.862 1.00 0.00 C ATOM 940 C THR A 533 15.431 3.095 17.790 1.00 0.00 C ATOM 941 O THR A 533 14.318 3.032 17.255 1.00 0.00 O ATOM 942 CB THR A 533 15.253 3.713 20.272 1.00 0.00 C ATOM 943 OG1 THR A 533 16.094 2.681 20.736 1.00 0.00 O ATOM 944 CG2 THR A 533 13.817 3.208 20.418 1.00 0.00 C ATOM 0 H THR A 533 14.063 5.330 18.180 1.00 0.00 H new ATOM 0 HA THR A 533 16.755 4.340 18.888 1.00 0.00 H new ATOM 0 HB THR A 533 15.333 4.628 20.858 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.809 2.404 21.632 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.638 2.914 21.452 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.122 4.001 20.141 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.665 2.349 19.765 1.00 0.00 H new ATOM 952 N PRO A 534 16.437 2.265 17.426 1.00 0.00 N ATOM 953 CA PRO A 534 16.302 1.230 16.395 1.00 0.00 C ATOM 954 C PRO A 534 15.304 0.145 16.823 1.00 0.00 C ATOM 955 O PRO A 534 15.580 -0.655 17.724 1.00 0.00 O ATOM 956 CB PRO A 534 17.717 0.680 16.159 1.00 0.00 C ATOM 957 CG PRO A 534 18.444 0.966 17.470 1.00 0.00 C ATOM 958 CD PRO A 534 17.807 2.273 17.935 1.00 0.00 C ATOM 0 HA PRO A 534 15.895 1.633 15.467 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.699 -0.387 15.936 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.202 1.173 15.317 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.299 0.165 18.195 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.519 1.071 17.321 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.817 2.345 19.023 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.359 3.132 17.553 1.00 0.00 H new