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= -0.322 K(o=-0.32,f=-3.7!) 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= 0.943 K(o=0.94,f=-0.19) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0.021 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) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.188 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.518 2.407 7.540 1.00 0.00 N ATOM 75 CA LYS A 481 14.063 1.437 8.562 1.00 0.00 C ATOM 76 C LYS A 481 13.064 2.063 9.541 1.00 0.00 C ATOM 77 O LYS A 481 12.814 3.271 9.514 1.00 0.00 O ATOM 78 CB LYS A 481 15.289 0.857 9.315 1.00 0.00 C ATOM 79 CG LYS A 481 15.058 -0.582 9.832 1.00 0.00 C ATOM 80 CD LYS A 481 16.001 -1.637 9.233 1.00 0.00 C ATOM 81 CE LYS A 481 17.459 -1.429 9.669 1.00 0.00 C ATOM 82 NZ LYS A 481 18.287 -2.633 9.386 1.00 0.00 N ATOM 0 HA LYS A 481 13.540 0.628 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.153 0.864 8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.530 1.505 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 481 15.171 -0.587 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.029 -0.870 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.671 -2.630 9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 481 15.940 -1.600 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 481 17.877 -0.567 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 481 17.493 -1.204 10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 19.266 -2.461 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 17.901 -3.449 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 18.273 -2.832 8.365 1.00 0.00 H new ATOM 96 N TRP A 482 12.505 1.220 10.403 1.00 0.00 N ATOM 97 CA TRP A 482 11.556 1.585 11.450 1.00 0.00 C ATOM 98 C TRP A 482 12.295 2.008 12.728 1.00 0.00 C ATOM 99 O TRP A 482 13.239 1.339 13.162 1.00 0.00 O ATOM 100 CB TRP A 482 10.641 0.380 11.736 1.00 0.00 C ATOM 101 CG TRP A 482 10.303 -0.517 10.579 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.398 -1.866 10.585 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.870 -0.157 9.229 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.061 -2.365 9.341 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.747 -1.352 8.458 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.598 1.063 8.572 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.382 -1.340 7.103 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.254 1.086 7.208 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.141 -0.108 6.473 1.00 0.00 C ATOM 0 H TRP A 482 12.709 0.221 10.391 1.00 0.00 H new ATOM 0 HA TRP A 482 10.956 2.431 11.114 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.114 -0.228 12.507 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.708 0.757 12.155 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.693 -2.464 11.435 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.046 -3.357 9.105 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.655 1.990 9.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.288 -2.265 6.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.074 2.032 6.719 1.00 0.00 H new ATOM 0 HH2 TRP A 482 8.870 -0.078 5.428 1.00 0.00 H new ATOM 120 N VAL A 483 11.834 3.085 13.364 1.00 0.00 N ATOM 121 CA VAL A 483 12.351 3.570 14.656 1.00 0.00 C ATOM 122 C VAL A 483 11.213 4.029 15.561 1.00 0.00 C ATOM 123 O VAL A 483 10.289 4.704 15.106 1.00 0.00 O ATOM 124 CB VAL A 483 13.368 4.719 14.497 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.684 4.238 13.883 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.841 5.884 13.652 1.00 0.00 C ATOM 0 H VAL A 483 11.077 3.660 12.994 1.00 0.00 H new ATOM 0 HA VAL A 483 12.867 2.725 15.111 1.00 0.00 H new ATOM 0 HB VAL A 483 13.539 5.076 15.512 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.371 5.079 13.789 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.128 3.477 14.525 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.492 3.815 12.897 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.606 6.657 13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.593 5.526 12.653 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.949 6.299 14.121 1.00 0.00 H new ATOM 136 N LEU A 484 11.277 3.655 16.840 1.00 0.00 N ATOM 137 CA LEU A 484 10.328 4.100 17.865 1.00 0.00 C ATOM 138 C LEU A 484 10.779 5.434 18.476 1.00 0.00 C ATOM 139 O LEU A 484 11.970 5.683 18.665 1.00 0.00 O ATOM 140 CB LEU A 484 10.132 2.966 18.890 1.00 0.00 C ATOM 141 CG LEU A 484 9.256 3.311 20.117 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.440 2.104 20.575 1.00 0.00 C ATOM 143 CD2 LEU A 484 10.099 3.740 21.320 1.00 0.00 C ATOM 0 H LEU A 484 11.997 3.028 17.198 1.00 0.00 H new ATOM 0 HA LEU A 484 9.351 4.305 17.428 1.00 0.00 H new ATOM 0 HB2 LEU A 484 9.687 2.112 18.378 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.113 2.649 19.245 1.00 0.00 H new ATOM 0 HG LEU A 484 8.608 4.125 19.792 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.835 2.380 21.439 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.788 1.777 19.765 1.00 0.00 H new ATOM 0 HD13 LEU A 484 9.114 1.292 20.848 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.443 3.973 22.159 1.00 0.00 H new ATOM 0 HD22 LEU A 484 10.773 2.930 21.600 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.682 4.623 21.059 1.00 0.00 H new ATOM 155 N CYS A 485 9.808 6.281 18.807 1.00 0.00 N ATOM 156 CA CYS A 485 9.994 7.520 19.548 1.00 0.00 C ATOM 157 C CYS A 485 10.085 7.240 21.060 1.00 0.00 C ATOM 158 O CYS A 485 9.095 6.858 21.684 1.00 0.00 O ATOM 159 CB CYS A 485 8.829 8.461 19.195 1.00 0.00 C ATOM 160 SG CYS A 485 9.276 9.461 17.745 1.00 0.00 S ATOM 0 H CYS A 485 8.834 6.114 18.556 1.00 0.00 H new ATOM 0 HA CYS A 485 10.933 7.999 19.272 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.930 7.881 18.987 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.602 9.109 20.041 1.00 0.00 H new ATOM 0 HG CYS A 485 8.203 9.750 17.070 1.00 0.00 H new ATOM 166 N ASN A 486 11.260 7.428 21.665 1.00 0.00 N ATOM 167 CA ASN A 486 11.461 7.351 23.118 1.00 0.00 C ATOM 168 C ASN A 486 10.773 8.505 23.884 1.00 0.00 C ATOM 169 O ASN A 486 10.386 8.339 25.043 1.00 0.00 O ATOM 170 CB ASN A 486 12.969 7.405 23.422 1.00 0.00 C ATOM 171 CG ASN A 486 13.754 6.237 22.865 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.662 6.401 22.064 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.438 5.029 23.278 1.00 0.00 N ATOM 0 H ASN A 486 12.115 7.642 21.152 1.00 0.00 H new ATOM 0 HA ASN A 486 11.014 6.414 23.451 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.378 8.330 23.016 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.110 7.441 24.502 1.00 0.00 H new ATOM 0 HD21 ASN A 486 13.952 4.220 22.929 1.00 0.00 H new ATOM 0 HD22 ASN A 486 12.679 4.901 23.947 1.00 0.00 H new ATOM 180 N TYR A 487 10.625 9.662 23.228 1.00 0.00 N ATOM 181 CA TYR A 487 10.088 10.915 23.776 1.00 0.00 C ATOM 182 C TYR A 487 9.181 11.603 22.739 1.00 0.00 C ATOM 183 O TYR A 487 9.242 11.304 21.545 1.00 0.00 O ATOM 184 CB TYR A 487 11.234 11.860 24.183 1.00 0.00 C ATOM 185 CG TYR A 487 12.308 11.260 25.078 1.00 0.00 C ATOM 186 CD1 TYR A 487 12.135 11.225 26.476 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.492 10.751 24.510 1.00 0.00 C ATOM 188 CE1 TYR A 487 13.139 10.676 27.301 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.497 10.199 25.328 1.00 0.00 C ATOM 190 CZ TYR A 487 14.323 10.160 26.727 1.00 0.00 C ATOM 191 OH TYR A 487 15.296 9.626 27.513 1.00 0.00 O ATOM 0 H TYR A 487 10.891 9.755 22.248 1.00 0.00 H new ATOM 0 HA TYR A 487 9.498 10.680 24.662 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.711 12.232 23.276 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.804 12.722 24.693 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.231 11.619 26.917 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.630 10.784 23.439 1.00 0.00 H new ATOM 0 HE1 TYR A 487 13.003 10.650 28.372 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.400 9.806 24.884 1.00 0.00 H new ATOM 0 HH TYR A 487 16.038 9.319 26.952 1.00 0.00 H new ATOM 201 N ASP A 488 8.330 12.521 23.195 1.00 0.00 N ATOM 202 CA ASP A 488 7.504 13.375 22.329 1.00 0.00 C ATOM 203 C ASP A 488 8.263 14.627 21.830 1.00 0.00 C ATOM 204 O ASP A 488 9.252 15.062 22.429 1.00 0.00 O ATOM 205 CB ASP A 488 6.219 13.775 23.068 1.00 0.00 C ATOM 206 CG ASP A 488 6.478 14.705 24.267 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.843 14.199 25.358 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.294 15.938 24.130 1.00 0.00 O ATOM 0 H ASP A 488 8.190 12.698 24.190 1.00 0.00 H new ATOM 0 HA ASP A 488 7.248 12.795 21.442 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.545 14.271 22.370 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.712 12.875 23.416 1.00 0.00 H new ATOM 213 N PHE A 489 7.778 15.214 20.733 1.00 0.00 N ATOM 214 CA PHE A 489 8.316 16.408 20.076 1.00 0.00 C ATOM 215 C PHE A 489 7.223 17.133 19.261 1.00 0.00 C ATOM 216 O PHE A 489 6.220 16.532 18.876 1.00 0.00 O ATOM 217 CB PHE A 489 9.477 15.969 19.167 1.00 0.00 C ATOM 218 CG PHE A 489 10.185 17.108 18.463 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.843 18.104 19.212 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.123 17.210 17.061 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.408 19.216 18.562 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.704 18.312 16.410 1.00 0.00 C ATOM 223 CZ PHE A 489 11.333 19.319 17.162 1.00 0.00 C ATOM 0 H PHE A 489 6.955 14.849 20.253 1.00 0.00 H new ATOM 0 HA PHE A 489 8.674 17.114 20.826 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.204 15.420 19.766 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.094 15.277 18.417 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.913 18.013 20.286 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.629 16.442 16.485 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.898 19.988 19.137 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.667 18.385 15.333 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.761 20.176 16.662 1.00 0.00 H new ATOM 233 N GLN A 490 7.413 18.421 18.962 1.00 0.00 N ATOM 234 CA GLN A 490 6.426 19.269 18.281 1.00 0.00 C ATOM 235 C GLN A 490 7.059 20.060 17.126 1.00 0.00 C ATOM 236 O GLN A 490 8.171 20.574 17.254 1.00 0.00 O ATOM 237 CB GLN A 490 5.756 20.178 19.328 1.00 0.00 C ATOM 238 CG GLN A 490 6.669 21.298 19.858 1.00 0.00 C ATOM 239 CD GLN A 490 6.075 22.020 21.068 1.00 0.00 C ATOM 240 OE1 GLN A 490 5.020 22.641 21.005 1.00 0.00 O ATOM 241 NE2 GLN A 490 6.727 21.982 22.214 1.00 0.00 N ATOM 0 H GLN A 490 8.275 18.916 19.191 1.00 0.00 H new ATOM 0 HA GLN A 490 5.660 18.646 17.819 1.00 0.00 H new ATOM 0 HB2 GLN A 490 4.865 20.627 18.888 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.424 19.566 20.167 1.00 0.00 H new ATOM 0 HG2 GLN A 490 7.636 20.875 20.131 1.00 0.00 H new ATOM 0 HG3 GLN A 490 6.851 22.020 19.062 1.00 0.00 H new ATOM 0 HE21 GLN A 490 7.606 21.470 22.284 1.00 0.00 H new ATOM 0 HE22 GLN A 490 6.352 22.465 23.030 1.00 0.00 H new ATOM 250 N ALA A 491 6.345 20.181 16.000 1.00 0.00 N ATOM 251 CA ALA A 491 6.849 20.871 14.814 1.00 0.00 C ATOM 252 C ALA A 491 6.779 22.394 14.996 1.00 0.00 C ATOM 253 O ALA A 491 5.706 23.003 14.903 1.00 0.00 O ATOM 254 CB ALA A 491 6.095 20.424 13.557 1.00 0.00 C ATOM 0 H ALA A 491 5.404 19.803 15.889 1.00 0.00 H new ATOM 0 HA ALA A 491 7.897 20.600 14.684 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.489 20.952 12.689 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.224 19.351 13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.035 20.651 13.669 1.00 0.00 H new ATOM 260 N ARG A 492 7.927 23.016 15.263 1.00 0.00 N ATOM 261 CA ARG A 492 8.062 24.473 15.432 1.00 0.00 C ATOM 262 C ARG A 492 8.184 25.204 14.083 1.00 0.00 C ATOM 263 O ARG A 492 8.047 26.429 14.041 1.00 0.00 O ATOM 264 CB ARG A 492 9.253 24.757 16.375 1.00 0.00 C ATOM 265 CG ARG A 492 9.083 24.073 17.756 1.00 0.00 C ATOM 266 CD ARG A 492 10.294 23.236 18.202 1.00 0.00 C ATOM 267 NE ARG A 492 11.262 24.019 18.998 1.00 0.00 N ATOM 268 CZ ARG A 492 11.253 24.194 20.310 1.00 0.00 C ATOM 269 NH1 ARG A 492 10.302 23.728 21.073 1.00 0.00 N ATOM 270 NH2 ARG A 492 12.213 24.851 20.894 1.00 0.00 N ATOM 0 H ARG A 492 8.810 22.517 15.371 1.00 0.00 H new ATOM 0 HA ARG A 492 7.154 24.869 15.888 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.174 24.407 15.909 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.355 25.833 16.515 1.00 0.00 H new ATOM 0 HG2 ARG A 492 8.890 24.839 18.507 1.00 0.00 H new ATOM 0 HG3 ARG A 492 8.204 23.430 17.724 1.00 0.00 H new ATOM 0 HD2 ARG A 492 9.947 22.387 18.791 1.00 0.00 H new ATOM 0 HD3 ARG A 492 10.795 22.831 17.323 1.00 0.00 H new ATOM 0 HE ARG A 492 12.016 24.472 18.482 1.00 0.00 H new ATOM 0 HH11 ARG A 492 9.528 23.207 20.662 1.00 0.00 H new ATOM 0 HH12 ARG A 492 10.333 23.885 22.080 1.00 0.00 H new ATOM 0 HH21 ARG A 492 12.979 25.235 20.340 1.00 0.00 H new ATOM 0 HH22 ARG A 492 12.200 24.982 21.905 1.00 0.00 H new ATOM 284 N ASN A 493 8.396 24.463 12.986 1.00 0.00 N ATOM 285 CA ASN A 493 8.547 24.962 11.606 1.00 0.00 C ATOM 286 C ASN A 493 8.048 23.926 10.570 1.00 0.00 C ATOM 287 O ASN A 493 7.800 22.767 10.907 1.00 0.00 O ATOM 288 CB ASN A 493 10.036 25.286 11.338 1.00 0.00 C ATOM 289 CG ASN A 493 10.612 26.364 12.242 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.446 27.556 12.008 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.322 25.983 13.280 1.00 0.00 N ATOM 0 H ASN A 493 8.471 23.447 13.037 1.00 0.00 H new ATOM 0 HA ASN A 493 7.941 25.862 11.501 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.622 24.375 11.459 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.147 25.601 10.300 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.739 26.681 13.897 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.456 24.990 13.469 1.00 0.00 H new ATOM 298 N SER A 494 7.964 24.308 9.289 1.00 0.00 N ATOM 299 CA SER A 494 7.616 23.392 8.179 1.00 0.00 C ATOM 300 C SER A 494 8.723 22.381 7.820 1.00 0.00 C ATOM 301 O SER A 494 8.447 21.374 7.167 1.00 0.00 O ATOM 302 CB SER A 494 7.254 24.179 6.910 1.00 0.00 C ATOM 303 OG SER A 494 6.351 25.239 7.189 1.00 0.00 O ATOM 0 H SER A 494 8.136 25.266 8.985 1.00 0.00 H new ATOM 0 HA SER A 494 6.761 22.826 8.547 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.161 24.583 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 494 6.809 23.505 6.178 1.00 0.00 H new ATOM 0 HG SER A 494 6.144 25.719 6.360 1.00 0.00 H new ATOM 309 N SER A 495 9.974 22.630 8.238 1.00 0.00 N ATOM 310 CA SER A 495 11.120 21.714 8.050 1.00 0.00 C ATOM 311 C SER A 495 11.136 20.510 8.997 1.00 0.00 C ATOM 312 O SER A 495 11.927 19.588 8.822 1.00 0.00 O ATOM 313 CB SER A 495 12.446 22.479 8.184 1.00 0.00 C ATOM 314 OG SER A 495 12.446 23.323 9.327 1.00 0.00 O ATOM 0 H SER A 495 10.227 23.489 8.726 1.00 0.00 H new ATOM 0 HA SER A 495 11.001 21.314 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.271 21.770 8.254 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.614 23.077 7.288 1.00 0.00 H new ATOM 0 HG SER A 495 13.303 23.794 9.386 1.00 0.00 H new ATOM 320 N GLU A 496 10.258 20.505 9.989 1.00 0.00 N ATOM 321 CA GLU A 496 10.176 19.534 11.082 1.00 0.00 C ATOM 322 C GLU A 496 8.756 18.957 11.218 1.00 0.00 C ATOM 323 O GLU A 496 7.849 19.284 10.445 1.00 0.00 O ATOM 324 CB GLU A 496 10.692 20.166 12.390 1.00 0.00 C ATOM 325 CG GLU A 496 10.087 21.539 12.683 1.00 0.00 C ATOM 326 CD GLU A 496 10.769 22.209 13.884 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.489 21.791 15.026 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.527 23.191 13.687 1.00 0.00 O ATOM 0 H GLU A 496 9.536 21.222 10.061 1.00 0.00 H new ATOM 0 HA GLU A 496 10.822 18.687 10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.471 19.495 13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.777 20.260 12.336 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.186 22.177 11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.020 21.433 12.881 1.00 0.00 H new ATOM 335 N LEU A 497 8.575 18.058 12.187 1.00 0.00 N ATOM 336 CA LEU A 497 7.357 17.267 12.388 1.00 0.00 C ATOM 337 C LEU A 497 7.007 17.092 13.874 1.00 0.00 C ATOM 338 O LEU A 497 7.839 17.289 14.760 1.00 0.00 O ATOM 339 CB LEU A 497 7.533 15.887 11.723 1.00 0.00 C ATOM 340 CG LEU A 497 7.449 15.856 10.189 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.765 14.433 9.734 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.069 16.248 9.650 1.00 0.00 C ATOM 0 H LEU A 497 9.297 17.853 12.878 1.00 0.00 H new ATOM 0 HA LEU A 497 6.530 17.808 11.928 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.501 15.484 12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.772 15.216 12.121 1.00 0.00 H new ATOM 0 HG LEU A 497 8.160 16.586 9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.713 14.379 8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.767 14.160 10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.040 13.743 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.078 16.205 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.319 15.557 10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.827 17.261 9.971 1.00 0.00 H new ATOM 354 N SER A 498 5.748 16.726 14.133 1.00 0.00 N ATOM 355 CA SER A 498 5.162 16.599 15.471 1.00 0.00 C ATOM 356 C SER A 498 4.859 15.126 15.750 1.00 0.00 C ATOM 357 O SER A 498 4.001 14.528 15.094 1.00 0.00 O ATOM 358 CB SER A 498 3.885 17.449 15.548 1.00 0.00 C ATOM 359 OG SER A 498 3.439 17.556 16.888 1.00 0.00 O ATOM 0 H SER A 498 5.085 16.502 13.391 1.00 0.00 H new ATOM 0 HA SER A 498 5.861 16.958 16.226 1.00 0.00 H new ATOM 0 HB2 SER A 498 4.078 18.442 15.142 1.00 0.00 H new ATOM 0 HB3 SER A 498 3.105 17.000 14.934 1.00 0.00 H new ATOM 0 HG SER A 498 2.626 18.102 16.919 1.00 0.00 H new ATOM 365 N VAL A 499 5.591 14.533 16.696 1.00 0.00 N ATOM 366 CA VAL A 499 5.588 13.088 16.984 1.00 0.00 C ATOM 367 C VAL A 499 5.490 12.851 18.489 1.00 0.00 C ATOM 368 O VAL A 499 5.874 13.700 19.293 1.00 0.00 O ATOM 369 CB VAL A 499 6.835 12.376 16.404 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.918 12.501 14.879 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.162 12.872 16.992 1.00 0.00 C ATOM 0 H VAL A 499 6.222 15.056 17.303 1.00 0.00 H new ATOM 0 HA VAL A 499 4.714 12.658 16.495 1.00 0.00 H new ATOM 0 HB VAL A 499 6.697 11.333 16.690 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.809 11.986 14.520 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.033 12.052 14.428 1.00 0.00 H new ATOM 0 HG13 VAL A 499 6.971 13.554 14.603 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.988 12.326 16.537 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.275 13.937 16.789 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.167 12.706 18.069 1.00 0.00 H new ATOM 381 N LYS A 500 5.000 11.683 18.899 1.00 0.00 N ATOM 382 CA LYS A 500 4.792 11.343 20.314 1.00 0.00 C ATOM 383 C LYS A 500 5.554 10.070 20.656 1.00 0.00 C ATOM 384 O LYS A 500 5.781 9.214 19.800 1.00 0.00 O ATOM 385 CB LYS A 500 3.287 11.228 20.619 1.00 0.00 C ATOM 386 CG LYS A 500 2.546 12.554 20.363 1.00 0.00 C ATOM 387 CD LYS A 500 1.046 12.436 20.659 1.00 0.00 C ATOM 388 CE LYS A 500 0.339 13.732 20.241 1.00 0.00 C ATOM 389 NZ LYS A 500 -1.134 13.638 20.427 1.00 0.00 N ATOM 0 H LYS A 500 4.733 10.937 18.257 1.00 0.00 H new ATOM 0 HA LYS A 500 5.185 12.139 20.946 1.00 0.00 H new ATOM 0 HB2 LYS A 500 2.850 10.443 20.001 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.149 10.930 21.658 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.978 13.338 20.985 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.689 12.855 19.325 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.624 11.588 20.120 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.888 12.249 21.721 1.00 0.00 H new ATOM 0 HE2 LYS A 500 0.728 14.564 20.828 1.00 0.00 H new ATOM 0 HE3 LYS A 500 0.561 13.947 19.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -1.579 14.532 20.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 -1.508 12.859 19.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 -1.347 13.457 21.429 1.00 0.00 H new ATOM 403 N GLN A 501 5.967 9.949 21.914 1.00 0.00 N ATOM 404 CA GLN A 501 6.569 8.720 22.423 1.00 0.00 C ATOM 405 C GLN A 501 5.671 7.499 22.181 1.00 0.00 C ATOM 406 O GLN A 501 4.440 7.611 22.145 1.00 0.00 O ATOM 407 CB GLN A 501 6.969 8.854 23.897 1.00 0.00 C ATOM 408 CG GLN A 501 5.853 9.393 24.810 1.00 0.00 C ATOM 409 CD GLN A 501 6.134 9.104 26.284 1.00 0.00 C ATOM 410 OE1 GLN A 501 5.993 7.983 26.761 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.533 10.087 27.067 1.00 0.00 N ATOM 0 H GLN A 501 5.895 10.695 22.606 1.00 0.00 H new ATOM 0 HA GLN A 501 7.485 8.554 21.857 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.284 7.878 24.266 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.832 9.516 23.968 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.752 10.468 24.664 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.902 8.942 24.526 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.655 11.025 26.686 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.720 9.909 28.054 1.00 0.00 H new ATOM 420 N ARG A 502 6.312 6.330 22.040 1.00 0.00 N ATOM 421 CA ARG A 502 5.697 5.015 21.775 1.00 0.00 C ATOM 422 C ARG A 502 5.140 4.850 20.348 1.00 0.00 C ATOM 423 O ARG A 502 4.485 3.845 20.063 1.00 0.00 O ATOM 424 CB ARG A 502 4.628 4.661 22.839 1.00 0.00 C ATOM 425 CG ARG A 502 4.985 4.956 24.311 1.00 0.00 C ATOM 426 CD ARG A 502 6.230 4.213 24.806 1.00 0.00 C ATOM 427 NE ARG A 502 6.005 2.754 24.843 1.00 0.00 N ATOM 428 CZ ARG A 502 6.855 1.832 25.256 1.00 0.00 C ATOM 429 NH1 ARG A 502 8.046 2.131 25.693 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.513 0.576 25.239 1.00 0.00 N ATOM 0 H ARG A 502 7.328 6.270 22.111 1.00 0.00 H new ATOM 0 HA ARG A 502 6.515 4.299 21.852 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.714 5.204 22.596 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.401 3.599 22.751 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.142 6.028 24.429 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.138 4.687 24.942 1.00 0.00 H new ATOM 0 HD2 ARG A 502 7.073 4.437 24.153 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.496 4.567 25.802 1.00 0.00 H new ATOM 0 HE ARG A 502 5.097 2.424 24.515 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.348 3.105 25.724 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.676 1.391 26.004 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.588 0.304 24.906 1.00 0.00 H new ATOM 0 HH22 ARG A 502 7.170 -0.136 25.558 1.00 0.00 H new ATOM 444 N ASP A 503 5.415 5.796 19.444 1.00 0.00 N ATOM 445 CA ASP A 503 5.035 5.713 18.022 1.00 0.00 C ATOM 446 C ASP A 503 6.232 5.241 17.188 1.00 0.00 C ATOM 447 O ASP A 503 7.376 5.479 17.574 1.00 0.00 O ATOM 448 CB ASP A 503 4.550 7.079 17.499 1.00 0.00 C ATOM 449 CG ASP A 503 3.166 7.510 18.024 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.373 6.655 18.494 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.828 8.711 17.893 1.00 0.00 O ATOM 0 H ASP A 503 5.914 6.654 19.678 1.00 0.00 H new ATOM 0 HA ASP A 503 4.219 4.997 17.930 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.281 7.839 17.773 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.517 7.046 16.410 1.00 0.00 H new ATOM 456 N VAL A 504 5.978 4.619 16.031 1.00 0.00 N ATOM 457 CA VAL A 504 7.014 4.143 15.096 1.00 0.00 C ATOM 458 C VAL A 504 6.892 4.852 13.743 1.00 0.00 C ATOM 459 O VAL A 504 5.785 5.087 13.249 1.00 0.00 O ATOM 460 CB VAL A 504 7.004 2.601 14.984 1.00 0.00 C ATOM 461 CG1 VAL A 504 5.725 2.033 14.354 1.00 0.00 C ATOM 462 CG2 VAL A 504 8.206 2.061 14.199 1.00 0.00 C ATOM 0 H VAL A 504 5.030 4.427 15.709 1.00 0.00 H new ATOM 0 HA VAL A 504 7.994 4.406 15.495 1.00 0.00 H new ATOM 0 HB VAL A 504 7.057 2.266 16.020 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.793 0.946 14.310 1.00 0.00 H new ATOM 0 HG12 VAL A 504 4.864 2.318 14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 504 5.608 2.431 13.346 1.00 0.00 H new ATOM 0 HG21 VAL A 504 8.150 0.974 14.150 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.195 2.471 13.189 1.00 0.00 H new ATOM 0 HG23 VAL A 504 9.129 2.355 14.699 1.00 0.00 H new ATOM 472 N LEU A 505 8.036 5.223 13.156 1.00 0.00 N ATOM 473 CA LEU A 505 8.133 6.067 11.955 1.00 0.00 C ATOM 474 C LEU A 505 9.131 5.466 10.952 1.00 0.00 C ATOM 475 O LEU A 505 10.115 4.830 11.334 1.00 0.00 O ATOM 476 CB LEU A 505 8.546 7.504 12.347 1.00 0.00 C ATOM 477 CG LEU A 505 7.684 8.166 13.449 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.408 9.390 13.996 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.299 8.616 12.963 1.00 0.00 C ATOM 0 H LEU A 505 8.948 4.937 13.513 1.00 0.00 H new ATOM 0 HA LEU A 505 7.155 6.107 11.475 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.583 7.487 12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.509 8.130 11.456 1.00 0.00 H new ATOM 0 HG LEU A 505 7.536 7.403 14.213 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.800 9.856 14.772 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.366 9.087 14.418 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.576 10.104 13.190 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.753 9.070 13.790 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.414 9.344 12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.745 7.753 12.593 1.00 0.00 H new ATOM 491 N GLU A 506 8.873 5.678 9.660 1.00 0.00 N ATOM 492 CA GLU A 506 9.753 5.267 8.559 1.00 0.00 C ATOM 493 C GLU A 506 10.817 6.341 8.301 1.00 0.00 C ATOM 494 O GLU A 506 10.487 7.446 7.869 1.00 0.00 O ATOM 495 CB GLU A 506 8.899 5.026 7.302 1.00 0.00 C ATOM 496 CG GLU A 506 9.734 4.708 6.051 1.00 0.00 C ATOM 497 CD GLU A 506 8.864 4.266 4.853 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.728 4.775 4.674 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.323 3.400 4.065 1.00 0.00 O ATOM 0 H GLU A 506 8.028 6.151 9.341 1.00 0.00 H new ATOM 0 HA GLU A 506 10.269 4.344 8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.212 4.201 7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.291 5.910 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.312 5.589 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.449 3.920 6.287 1.00 0.00 H new ATOM 506 N VAL A 507 12.090 6.027 8.552 1.00 0.00 N ATOM 507 CA VAL A 507 13.229 6.886 8.183 1.00 0.00 C ATOM 508 C VAL A 507 13.524 6.751 6.682 1.00 0.00 C ATOM 509 O VAL A 507 13.361 5.686 6.085 1.00 0.00 O ATOM 510 CB VAL A 507 14.495 6.531 9.000 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.640 7.506 8.731 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.251 6.456 10.509 1.00 0.00 C ATOM 0 H VAL A 507 12.367 5.164 9.020 1.00 0.00 H new ATOM 0 HA VAL A 507 12.958 7.917 8.411 1.00 0.00 H new ATOM 0 HB VAL A 507 14.772 5.534 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.508 7.220 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.899 7.480 7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.330 8.515 9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.182 6.203 11.016 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.893 7.421 10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.504 5.691 10.719 1.00 0.00 H new ATOM 522 N LEU A 508 14.008 7.844 6.096 1.00 0.00 N ATOM 523 CA LEU A 508 14.326 8.056 4.687 1.00 0.00 C ATOM 524 C LEU A 508 15.786 8.537 4.498 1.00 0.00 C ATOM 525 O LEU A 508 16.344 8.368 3.410 1.00 0.00 O ATOM 526 CB LEU A 508 13.363 9.115 4.108 1.00 0.00 C ATOM 527 CG LEU A 508 11.851 8.899 4.331 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.088 10.120 3.816 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.319 7.664 3.606 1.00 0.00 C ATOM 0 H LEU A 508 14.205 8.680 6.647 1.00 0.00 H new ATOM 0 HA LEU A 508 14.213 7.106 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.631 10.082 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.539 9.179 3.034 1.00 0.00 H new ATOM 0 HG LEU A 508 11.703 8.753 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.019 9.973 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.414 11.008 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.286 10.251 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.251 7.561 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.486 7.771 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.840 6.777 3.968 1.00 0.00 H new ATOM 541 N ASP A 509 16.418 9.111 5.536 1.00 0.00 N ATOM 542 CA ASP A 509 17.841 9.496 5.544 1.00 0.00 C ATOM 543 C ASP A 509 18.399 9.509 6.977 1.00 0.00 C ATOM 544 O ASP A 509 17.756 10.044 7.879 1.00 0.00 O ATOM 545 CB ASP A 509 18.009 10.889 4.913 1.00 0.00 C ATOM 546 CG ASP A 509 19.494 11.250 4.741 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.092 10.856 3.711 1.00 0.00 O ATOM 548 OD2 ASP A 509 20.068 11.925 5.629 1.00 0.00 O ATOM 0 H ASP A 509 15.943 9.325 6.413 1.00 0.00 H new ATOM 0 HA ASP A 509 18.397 8.761 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.512 10.913 3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.521 11.636 5.540 1.00 0.00 H new ATOM 553 N ASP A 510 19.590 8.932 7.181 1.00 0.00 N ATOM 554 CA ASP A 510 20.175 8.649 8.504 1.00 0.00 C ATOM 555 C ASP A 510 21.702 8.894 8.569 1.00 0.00 C ATOM 556 O ASP A 510 22.472 8.092 9.110 1.00 0.00 O ATOM 557 CB ASP A 510 19.747 7.251 8.991 1.00 0.00 C ATOM 558 CG ASP A 510 19.858 6.137 7.933 1.00 0.00 C ATOM 559 OD1 ASP A 510 20.985 5.811 7.485 1.00 0.00 O ATOM 560 OD2 ASP A 510 18.814 5.547 7.562 1.00 0.00 O ATOM 0 H ASP A 510 20.192 8.640 6.411 1.00 0.00 H new ATOM 0 HA ASP A 510 19.768 9.375 9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.359 6.978 9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.715 7.302 9.337 1.00 0.00 H new ATOM 565 N SER A 511 22.145 10.038 8.032 1.00 0.00 N ATOM 566 CA SER A 511 23.567 10.410 7.890 1.00 0.00 C ATOM 567 C SER A 511 23.948 11.690 8.659 1.00 0.00 C ATOM 568 O SER A 511 25.067 12.192 8.517 1.00 0.00 O ATOM 569 CB SER A 511 23.914 10.547 6.399 1.00 0.00 C ATOM 570 OG SER A 511 23.740 9.311 5.717 1.00 0.00 O ATOM 0 H SER A 511 21.511 10.752 7.673 1.00 0.00 H new ATOM 0 HA SER A 511 24.154 9.609 8.340 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.282 11.309 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 511 24.945 10.883 6.292 1.00 0.00 H new ATOM 0 HG SER A 511 23.965 9.425 4.770 1.00 0.00 H new ATOM 576 N ARG A 512 23.029 12.220 9.485 1.00 0.00 N ATOM 577 CA ARG A 512 23.171 13.449 10.294 1.00 0.00 C ATOM 578 C ARG A 512 22.479 13.325 11.667 1.00 0.00 C ATOM 579 O ARG A 512 21.859 12.306 11.972 1.00 0.00 O ATOM 580 CB ARG A 512 22.608 14.650 9.499 1.00 0.00 C ATOM 581 CG ARG A 512 23.442 15.031 8.264 1.00 0.00 C ATOM 582 CD ARG A 512 23.209 16.502 7.878 1.00 0.00 C ATOM 583 NE ARG A 512 23.867 16.862 6.606 1.00 0.00 N ATOM 584 CZ ARG A 512 25.147 17.133 6.407 1.00 0.00 C ATOM 585 NH1 ARG A 512 26.035 17.072 7.361 1.00 0.00 N ATOM 586 NH2 ARG A 512 25.567 17.477 5.224 1.00 0.00 N ATOM 0 H ARG A 512 22.118 11.781 9.615 1.00 0.00 H new ATOM 0 HA ARG A 512 24.231 13.607 10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.592 14.417 9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.544 15.513 10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.500 14.868 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.177 14.385 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.138 16.688 7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.584 17.147 8.673 1.00 0.00 H new ATOM 0 HE ARG A 512 23.264 16.907 5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 512 25.752 16.807 8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 512 27.012 17.289 7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.909 17.538 4.447 1.00 0.00 H new ATOM 0 HH22 ARG A 512 26.554 17.685 5.074 1.00 0.00 H new ATOM 600 N LYS A 513 22.575 14.381 12.488 1.00 0.00 N ATOM 601 CA LYS A 513 21.945 14.518 13.823 1.00 0.00 C ATOM 602 C LYS A 513 20.407 14.486 13.808 1.00 0.00 C ATOM 603 O LYS A 513 19.783 14.173 14.819 1.00 0.00 O ATOM 604 CB LYS A 513 22.394 15.849 14.452 1.00 0.00 C ATOM 605 CG LYS A 513 23.905 16.011 14.679 1.00 0.00 C ATOM 606 CD LYS A 513 24.451 15.085 15.776 1.00 0.00 C ATOM 607 CE LYS A 513 25.880 15.448 16.201 1.00 0.00 C ATOM 608 NZ LYS A 513 26.881 15.214 15.121 1.00 0.00 N ATOM 0 H LYS A 513 23.118 15.206 12.233 1.00 0.00 H new ATOM 0 HA LYS A 513 22.271 13.653 14.400 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.053 16.663 13.812 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.888 15.964 15.411 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.431 15.808 13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.118 17.046 14.946 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.795 15.132 16.645 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.433 14.055 15.419 1.00 0.00 H new ATOM 0 HE2 LYS A 513 25.911 16.496 16.498 1.00 0.00 H new ATOM 0 HE3 LYS A 513 26.154 14.861 17.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.828 15.476 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 26.875 14.209 14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.639 15.794 14.292 1.00 0.00 H new ATOM 622 N TRP A 514 19.786 14.817 12.680 1.00 0.00 N ATOM 623 CA TRP A 514 18.334 14.772 12.491 1.00 0.00 C ATOM 624 C TRP A 514 18.026 13.921 11.263 1.00 0.00 C ATOM 625 O TRP A 514 18.633 14.107 10.204 1.00 0.00 O ATOM 626 CB TRP A 514 17.760 16.183 12.327 1.00 0.00 C ATOM 627 CG TRP A 514 17.695 17.050 13.553 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.738 17.446 14.320 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.521 17.693 14.138 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.288 18.240 15.357 1.00 0.00 N ATOM 631 CE2 TRP A 514 16.922 18.414 15.300 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.156 17.759 13.786 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.011 19.123 16.094 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.232 18.480 14.561 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.657 19.155 15.720 1.00 0.00 C ATOM 0 H TRP A 514 20.288 15.132 11.850 1.00 0.00 H new ATOM 0 HA TRP A 514 17.868 14.329 13.371 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.356 16.704 11.577 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.751 16.092 11.925 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.770 17.180 14.147 1.00 0.00 H new ATOM 0 HE1 TRP A 514 18.890 18.646 16.074 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.814 17.244 12.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.345 19.638 16.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.194 18.516 14.266 1.00 0.00 H new ATOM 0 HH2 TRP A 514 13.943 19.697 16.322 1.00 0.00 H new ATOM 646 N TRP A 515 17.105 12.968 11.407 1.00 0.00 N ATOM 647 CA TRP A 515 16.760 12.034 10.333 1.00 0.00 C ATOM 648 C TRP A 515 15.474 12.473 9.638 1.00 0.00 C ATOM 649 O TRP A 515 14.534 12.962 10.278 1.00 0.00 O ATOM 650 CB TRP A 515 16.699 10.583 10.841 1.00 0.00 C ATOM 651 CG TRP A 515 17.975 10.016 11.406 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.185 10.622 11.470 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.199 8.673 11.929 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.121 9.763 12.010 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.568 8.537 12.304 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.378 7.541 12.081 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.094 7.341 12.815 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.892 6.331 12.587 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.245 6.231 12.961 1.00 0.00 C ATOM 0 H TRP A 515 16.578 12.821 12.268 1.00 0.00 H new ATOM 0 HA TRP A 515 17.554 12.056 9.586 1.00 0.00 H new ATOM 0 HB2 TRP A 515 15.929 10.522 11.610 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.378 9.946 10.017 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.388 11.632 11.145 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.099 10.006 12.171 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.336 7.601 11.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.136 7.275 13.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.243 5.474 12.689 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.630 5.304 13.359 1.00 0.00 H new ATOM 670 N LYS A 516 15.440 12.317 8.311 1.00 0.00 N ATOM 671 CA LYS A 516 14.251 12.548 7.504 1.00 0.00 C ATOM 672 C LYS A 516 13.368 11.336 7.687 1.00 0.00 C ATOM 673 O LYS A 516 13.743 10.254 7.260 1.00 0.00 O ATOM 674 CB LYS A 516 14.635 12.808 6.036 1.00 0.00 C ATOM 675 CG LYS A 516 13.410 13.201 5.201 1.00 0.00 C ATOM 676 CD LYS A 516 13.772 13.656 3.786 1.00 0.00 C ATOM 677 CE LYS A 516 12.501 14.109 3.048 1.00 0.00 C ATOM 678 NZ LYS A 516 12.637 15.486 2.488 1.00 0.00 N ATOM 0 H LYS A 516 16.250 12.023 7.766 1.00 0.00 H new ATOM 0 HA LYS A 516 13.708 13.440 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.380 13.602 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.094 11.914 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.730 12.351 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 516 12.873 14.003 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.491 14.474 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.249 12.841 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.283 13.410 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 516 11.654 14.079 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 11.758 15.750 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 12.820 16.158 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.428 15.510 1.814 1.00 0.00 H new ATOM 692 N VAL A 517 12.239 11.495 8.360 1.00 0.00 N ATOM 693 CA VAL A 517 11.248 10.428 8.564 1.00 0.00 C ATOM 694 C VAL A 517 9.875 10.837 8.027 1.00 0.00 C ATOM 695 O VAL A 517 9.681 11.978 7.596 1.00 0.00 O ATOM 696 CB VAL A 517 11.166 9.966 10.041 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.535 9.746 10.691 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.393 10.942 10.928 1.00 0.00 C ATOM 0 H VAL A 517 11.973 12.381 8.790 1.00 0.00 H new ATOM 0 HA VAL A 517 11.590 9.567 7.990 1.00 0.00 H new ATOM 0 HB VAL A 517 10.637 9.015 9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.400 9.424 11.724 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.080 8.980 10.140 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.100 10.678 10.673 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.370 10.564 11.950 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.884 11.915 10.912 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.374 11.043 10.555 1.00 0.00 H new ATOM 708 N ARG A 518 8.910 9.912 8.087 1.00 0.00 N ATOM 709 CA ARG A 518 7.514 10.134 7.698 1.00 0.00 C ATOM 710 C ARG A 518 6.555 9.620 8.769 1.00 0.00 C ATOM 711 O ARG A 518 6.661 8.468 9.200 1.00 0.00 O ATOM 712 CB ARG A 518 7.278 9.507 6.313 1.00 0.00 C ATOM 713 CG ARG A 518 5.858 9.742 5.775 1.00 0.00 C ATOM 714 CD ARG A 518 5.751 9.406 4.282 1.00 0.00 C ATOM 715 NE ARG A 518 5.790 7.954 4.019 1.00 0.00 N ATOM 716 CZ ARG A 518 5.744 7.383 2.826 1.00 0.00 C ATOM 717 NH1 ARG A 518 5.677 8.079 1.723 1.00 0.00 N ATOM 718 NH2 ARG A 518 5.766 6.087 2.718 1.00 0.00 N ATOM 0 H ARG A 518 9.084 8.963 8.417 1.00 0.00 H new ATOM 0 HA ARG A 518 7.311 11.202 7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 518 7.999 9.919 5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.465 8.435 6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.151 9.131 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.577 10.783 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.822 9.817 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.567 9.890 3.746 1.00 0.00 H new ATOM 0 HE ARG A 518 5.858 7.336 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.659 9.098 1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 518 5.643 7.604 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 518 5.819 5.506 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 518 5.730 5.651 1.796 1.00 0.00 H new ATOM 732 N ASP A 519 5.632 10.479 9.204 1.00 0.00 N ATOM 733 CA ASP A 519 4.554 10.089 10.117 1.00 0.00 C ATOM 734 C ASP A 519 3.531 9.167 9.427 1.00 0.00 C ATOM 735 O ASP A 519 3.350 9.247 8.207 1.00 0.00 O ATOM 736 CB ASP A 519 3.851 11.331 10.667 1.00 0.00 C ATOM 737 CG ASP A 519 4.444 11.834 11.986 1.00 0.00 C ATOM 738 OD1 ASP A 519 3.956 11.391 13.056 1.00 0.00 O ATOM 739 OD2 ASP A 519 5.348 12.695 11.943 1.00 0.00 O ATOM 0 H ASP A 519 5.610 11.463 8.935 1.00 0.00 H new ATOM 0 HA ASP A 519 5.003 9.534 10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.906 12.128 9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.795 11.106 10.815 1.00 0.00 H new ATOM 744 N PRO A 520 2.779 8.355 10.195 1.00 0.00 N ATOM 745 CA PRO A 520 1.786 7.428 9.660 1.00 0.00 C ATOM 746 C PRO A 520 0.582 8.130 8.991 1.00 0.00 C ATOM 747 O PRO A 520 -0.204 7.488 8.290 1.00 0.00 O ATOM 748 CB PRO A 520 1.357 6.563 10.851 1.00 0.00 C ATOM 749 CG PRO A 520 1.582 7.478 12.054 1.00 0.00 C ATOM 750 CD PRO A 520 2.814 8.277 11.645 1.00 0.00 C ATOM 0 HA PRO A 520 2.215 6.833 8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.314 6.256 10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.953 5.653 10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.723 8.124 12.237 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.754 6.910 12.968 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.799 9.272 12.089 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.727 7.789 11.987 1.00 0.00 H new ATOM 758 N ALA A 521 0.442 9.449 9.187 1.00 0.00 N ATOM 759 CA ALA A 521 -0.571 10.306 8.569 1.00 0.00 C ATOM 760 C ALA A 521 -0.185 10.779 7.151 1.00 0.00 C ATOM 761 O ALA A 521 -1.041 11.293 6.424 1.00 0.00 O ATOM 762 CB ALA A 521 -0.766 11.517 9.488 1.00 0.00 C ATOM 0 H ALA A 521 1.062 9.968 9.809 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.489 9.730 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.516 12.182 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.098 11.179 10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.178 12.053 9.589 1.00 0.00 H new ATOM 768 N GLY A 522 1.088 10.625 6.760 1.00 0.00 N ATOM 769 CA GLY A 522 1.581 10.946 5.417 1.00 0.00 C ATOM 770 C GLY A 522 2.437 12.209 5.309 1.00 0.00 C ATOM 771 O GLY A 522 2.381 12.889 4.282 1.00 0.00 O ATOM 0 H GLY A 522 1.815 10.268 7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.165 10.101 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.724 11.052 4.751 1.00 0.00 H new ATOM 775 N GLN A 523 3.185 12.558 6.360 1.00 0.00 N ATOM 776 CA GLN A 523 3.890 13.844 6.467 1.00 0.00 C ATOM 777 C GLN A 523 5.390 13.643 6.663 1.00 0.00 C ATOM 778 O GLN A 523 5.788 12.863 7.525 1.00 0.00 O ATOM 779 CB GLN A 523 3.339 14.634 7.660 1.00 0.00 C ATOM 780 CG GLN A 523 1.818 14.775 7.671 1.00 0.00 C ATOM 781 CD GLN A 523 1.356 15.973 8.503 1.00 0.00 C ATOM 782 OE1 GLN A 523 0.773 16.927 7.997 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.609 15.999 9.796 1.00 0.00 N ATOM 0 H GLN A 523 3.321 11.952 7.169 1.00 0.00 H new ATOM 0 HA GLN A 523 3.729 14.391 5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.654 14.144 8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.785 15.629 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.457 14.884 6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.373 13.864 8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 523 2.092 15.217 10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.321 16.802 10.356 1.00 0.00 H new ATOM 792 N GLU A 524 6.213 14.365 5.903 1.00 0.00 N ATOM 793 CA GLU A 524 7.681 14.243 5.895 1.00 0.00 C ATOM 794 C GLU A 524 8.363 15.559 6.320 1.00 0.00 C ATOM 795 O GLU A 524 7.855 16.658 6.076 1.00 0.00 O ATOM 796 CB GLU A 524 8.185 13.842 4.498 1.00 0.00 C ATOM 797 CG GLU A 524 7.578 12.535 3.958 1.00 0.00 C ATOM 798 CD GLU A 524 7.133 12.644 2.485 1.00 0.00 C ATOM 799 OE1 GLU A 524 6.274 13.500 2.160 1.00 0.00 O ATOM 800 OE2 GLU A 524 7.606 11.842 1.643 1.00 0.00 O ATOM 0 H GLU A 524 5.872 15.074 5.254 1.00 0.00 H new ATOM 0 HA GLU A 524 7.941 13.467 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.963 14.648 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.270 13.739 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.311 11.734 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.721 12.257 4.572 1.00 0.00 H new ATOM 807 N GLY A 525 9.534 15.441 6.949 1.00 0.00 N ATOM 808 CA GLY A 525 10.310 16.570 7.482 1.00 0.00 C ATOM 809 C GLY A 525 11.593 16.091 8.155 1.00 0.00 C ATOM 810 O GLY A 525 12.273 15.228 7.616 1.00 0.00 O ATOM 0 H GLY A 525 9.982 14.538 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.556 17.259 6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.705 17.124 8.200 1.00 0.00 H new ATOM 814 N TYR A 526 11.906 16.599 9.343 1.00 0.00 N ATOM 815 CA TYR A 526 13.065 16.183 10.140 1.00 0.00 C ATOM 816 C TYR A 526 12.693 16.046 11.620 1.00 0.00 C ATOM 817 O TYR A 526 11.880 16.816 12.143 1.00 0.00 O ATOM 818 CB TYR A 526 14.214 17.191 9.961 1.00 0.00 C ATOM 819 CG TYR A 526 14.919 17.162 8.615 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.664 16.026 8.240 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.890 18.288 7.767 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.360 16.001 7.017 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.592 18.273 6.545 1.00 0.00 C ATOM 824 CZ TYR A 526 16.322 17.125 6.164 1.00 0.00 C ATOM 825 OH TYR A 526 16.981 17.099 4.973 1.00 0.00 O ATOM 0 H TYR A 526 11.351 17.328 9.792 1.00 0.00 H new ATOM 0 HA TYR A 526 13.395 15.206 9.787 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.819 18.194 10.121 1.00 0.00 H new ATOM 0 HB3 TYR A 526 14.954 17.011 10.741 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.701 15.169 8.896 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.328 19.164 8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.922 15.124 6.732 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.572 19.139 5.900 1.00 0.00 H new ATOM 0 HH TYR A 526 16.851 17.952 4.509 1.00 0.00 H new ATOM 835 N VAL A 527 13.326 15.086 12.300 1.00 0.00 N ATOM 836 CA VAL A 527 13.207 14.846 13.751 1.00 0.00 C ATOM 837 C VAL A 527 14.576 14.474 14.354 1.00 0.00 C ATOM 838 O VAL A 527 15.417 13.904 13.650 1.00 0.00 O ATOM 839 CB VAL A 527 12.166 13.750 14.068 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.744 14.197 13.707 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.470 12.426 13.365 1.00 0.00 C ATOM 0 H VAL A 527 13.959 14.429 11.844 1.00 0.00 H new ATOM 0 HA VAL A 527 12.860 15.774 14.206 1.00 0.00 H new ATOM 0 HB VAL A 527 12.231 13.588 15.144 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.040 13.399 13.945 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.487 15.089 14.278 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.692 14.421 12.641 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.706 11.693 13.624 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.474 12.580 12.286 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.446 12.061 13.683 1.00 0.00 H new ATOM 851 N PRO A 528 14.830 14.776 15.640 1.00 0.00 N ATOM 852 CA PRO A 528 16.122 14.535 16.284 1.00 0.00 C ATOM 853 C PRO A 528 16.388 13.036 16.461 1.00 0.00 C ATOM 854 O PRO A 528 15.575 12.327 17.052 1.00 0.00 O ATOM 855 CB PRO A 528 16.020 15.253 17.635 1.00 0.00 C ATOM 856 CG PRO A 528 14.527 15.234 17.952 1.00 0.00 C ATOM 857 CD PRO A 528 13.913 15.421 16.572 1.00 0.00 C ATOM 0 HA PRO A 528 16.955 14.906 15.686 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.598 14.740 18.404 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.402 16.272 17.575 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.219 14.295 18.413 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.244 16.033 18.637 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.922 14.971 16.520 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.795 16.479 16.336 1.00 0.00 H new ATOM 865 N TYR A 529 17.557 12.541 16.040 1.00 0.00 N ATOM 866 CA TYR A 529 17.923 11.126 16.252 1.00 0.00 C ATOM 867 C TYR A 529 18.009 10.724 17.739 1.00 0.00 C ATOM 868 O TYR A 529 17.907 9.545 18.072 1.00 0.00 O ATOM 869 CB TYR A 529 19.203 10.759 15.486 1.00 0.00 C ATOM 870 CG TYR A 529 20.529 10.942 16.219 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.831 12.149 16.879 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.467 9.890 16.242 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.056 12.318 17.552 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.691 10.044 16.924 1.00 0.00 C ATOM 875 CZ TYR A 529 22.990 11.259 17.580 1.00 0.00 C ATOM 876 OH TYR A 529 24.171 11.398 18.240 1.00 0.00 O ATOM 0 H TYR A 529 18.265 13.090 15.553 1.00 0.00 H new ATOM 0 HA TYR A 529 17.102 10.539 15.840 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.127 9.716 15.180 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.235 11.356 14.575 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.113 12.956 16.869 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.247 8.962 15.735 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.280 13.253 18.044 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.402 9.231 16.945 1.00 0.00 H new ATOM 0 HH TYR A 529 24.691 10.572 18.157 1.00 0.00 H new ATOM 886 N ASN A 530 18.133 11.708 18.640 1.00 0.00 N ATOM 887 CA ASN A 530 18.143 11.520 20.089 1.00 0.00 C ATOM 888 C ASN A 530 16.868 10.844 20.635 1.00 0.00 C ATOM 889 O ASN A 530 16.959 10.044 21.570 1.00 0.00 O ATOM 890 CB ASN A 530 18.362 12.905 20.724 1.00 0.00 C ATOM 891 CG ASN A 530 18.315 12.876 22.245 1.00 0.00 C ATOM 892 OD1 ASN A 530 19.060 12.163 22.905 1.00 0.00 O ATOM 893 ND2 ASN A 530 17.441 13.652 22.845 1.00 0.00 N ATOM 0 H ASN A 530 18.232 12.686 18.367 1.00 0.00 H new ATOM 0 HA ASN A 530 18.947 10.833 20.351 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.327 13.297 20.403 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.600 13.592 20.355 1.00 0.00 H new ATOM 0 HD21 ASN A 530 17.382 13.662 23.863 1.00 0.00 H new ATOM 0 HD22 ASN A 530 16.822 14.245 22.293 1.00 0.00 H new ATOM 900 N ILE A 531 15.695 11.122 20.045 1.00 0.00 N ATOM 901 CA ILE A 531 14.425 10.487 20.451 1.00 0.00 C ATOM 902 C ILE A 531 14.124 9.214 19.649 1.00 0.00 C ATOM 903 O ILE A 531 13.116 8.572 19.923 1.00 0.00 O ATOM 904 CB ILE A 531 13.226 11.478 20.447 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.673 11.737 19.027 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.620 12.787 21.158 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.546 12.774 18.944 1.00 0.00 C ATOM 0 H ILE A 531 15.597 11.788 19.278 1.00 0.00 H new ATOM 0 HA ILE A 531 14.564 10.179 21.487 1.00 0.00 H new ATOM 0 HB ILE A 531 12.410 11.014 21.002 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.494 12.064 18.389 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.308 10.794 18.619 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.774 13.474 21.150 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.902 12.571 22.188 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.463 13.243 20.639 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.228 12.883 17.907 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.702 12.444 19.550 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.906 13.733 19.316 1.00 0.00 H new ATOM 919 N LEU A 532 14.955 8.842 18.666 1.00 0.00 N ATOM 920 CA LEU A 532 14.712 7.695 17.787 1.00 0.00 C ATOM 921 C LEU A 532 15.546 6.481 18.224 1.00 0.00 C ATOM 922 O LEU A 532 16.779 6.542 18.240 1.00 0.00 O ATOM 923 CB LEU A 532 15.034 8.085 16.330 1.00 0.00 C ATOM 924 CG LEU A 532 14.232 9.272 15.760 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.681 9.549 14.318 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.721 9.042 15.800 1.00 0.00 C ATOM 0 H LEU A 532 15.823 9.335 18.458 1.00 0.00 H new ATOM 0 HA LEU A 532 13.661 7.414 17.856 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.096 8.323 16.264 1.00 0.00 H new ATOM 0 HB3 LEU A 532 14.862 7.216 15.695 1.00 0.00 H new ATOM 0 HG LEU A 532 14.437 10.135 16.394 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.114 10.388 13.915 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.744 9.791 14.308 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.505 8.665 13.706 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.210 9.911 15.386 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.472 8.159 15.211 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.403 8.891 16.832 1.00 0.00 H new ATOM 938 N THR A 533 14.886 5.360 18.533 1.00 0.00 N ATOM 939 CA THR A 533 15.547 4.085 18.871 1.00 0.00 C ATOM 940 C THR A 533 15.327 3.029 17.775 1.00 0.00 C ATOM 941 O THR A 533 14.221 2.952 17.226 1.00 0.00 O ATOM 942 CB THR A 533 15.117 3.573 20.264 1.00 0.00 C ATOM 943 OG1 THR A 533 15.805 2.392 20.610 1.00 0.00 O ATOM 944 CG2 THR A 533 13.635 3.248 20.403 1.00 0.00 C ATOM 0 H THR A 533 13.868 5.307 18.557 1.00 0.00 H new ATOM 0 HA THR A 533 16.619 4.275 18.921 1.00 0.00 H new ATOM 0 HB THR A 533 15.357 4.409 20.921 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.514 2.092 21.496 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.433 2.897 21.415 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.046 4.144 20.205 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.364 2.471 19.689 1.00 0.00 H new ATOM 952 N PRO A 534 16.345 2.214 17.422 1.00 0.00 N ATOM 953 CA PRO A 534 16.236 1.157 16.414 1.00 0.00 C ATOM 954 C PRO A 534 15.233 0.077 16.852 1.00 0.00 C ATOM 955 O PRO A 534 15.483 -0.681 17.795 1.00 0.00 O ATOM 956 CB PRO A 534 17.658 0.612 16.226 1.00 0.00 C ATOM 957 CG PRO A 534 18.349 0.924 17.552 1.00 0.00 C ATOM 958 CD PRO A 534 17.694 2.237 17.973 1.00 0.00 C ATOM 0 HA PRO A 534 15.848 1.531 15.467 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.652 -0.459 16.021 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.163 1.094 15.389 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.187 0.137 18.288 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.427 1.030 17.431 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.669 2.329 19.059 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.255 3.091 17.593 1.00 0.00 H new