USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 485 CYS SG : rot -90:sc= -0.112 USER MOD Single : A 486 ASN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 SER OG : rot 31:sc= 0.0961 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=-0.49) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0229) 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 16:sc= 0.998 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.476 14.222 7.196 1.00 0.00 N ATOM 118 CA TRP A 482 9.999 15.456 7.836 1.00 0.00 C ATOM 119 C TRP A 482 9.018 15.169 8.982 1.00 0.00 C ATOM 120 O TRP A 482 8.257 14.195 8.957 1.00 0.00 O ATOM 121 CB TRP A 482 9.337 16.384 6.807 1.00 0.00 C ATOM 122 CG TRP A 482 10.252 16.978 5.780 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.688 16.347 4.669 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.843 18.316 5.735 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.495 17.196 3.933 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.655 18.409 4.564 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.784 19.462 6.559 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.396 19.557 4.246 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.502 20.631 6.239 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.314 20.678 5.090 1.00 0.00 C ATOM 0 HA TRP A 482 10.874 15.951 8.258 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.557 15.825 6.291 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.846 17.197 7.342 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.443 15.331 4.396 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.918 16.954 3.037 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.177 19.441 7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 13.021 19.579 3.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.429 21.497 6.880 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.872 21.573 4.858 1.00 0.00 H new ATOM 141 N VAL A 483 9.006 16.069 9.963 1.00 0.00 N ATOM 142 CA VAL A 483 8.136 16.019 11.140 1.00 0.00 C ATOM 143 C VAL A 483 7.404 17.346 11.295 1.00 0.00 C ATOM 144 O VAL A 483 7.970 18.428 11.122 1.00 0.00 O ATOM 145 CB VAL A 483 8.904 15.652 12.428 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.310 14.177 12.415 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.165 16.493 12.677 1.00 0.00 C ATOM 0 H VAL A 483 9.622 16.882 9.962 1.00 0.00 H new ATOM 0 HA VAL A 483 7.408 15.223 10.982 1.00 0.00 H new ATOM 0 HB VAL A 483 8.205 15.864 13.237 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.850 13.940 13.332 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.418 13.555 12.348 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.952 13.984 11.556 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.642 16.169 13.602 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.859 16.364 11.846 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.890 17.545 12.760 1.00 0.00 H new ATOM 157 N LEU A 484 6.118 17.252 11.624 1.00 0.00 N ATOM 158 CA LEU A 484 5.264 18.395 11.902 1.00 0.00 C ATOM 159 C LEU A 484 5.132 18.524 13.423 1.00 0.00 C ATOM 160 O LEU A 484 4.758 17.566 14.106 1.00 0.00 O ATOM 161 CB LEU A 484 3.916 18.189 11.187 1.00 0.00 C ATOM 162 CG LEU A 484 3.003 19.432 11.186 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.636 20.640 10.490 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.711 19.106 10.446 1.00 0.00 C ATOM 0 H LEU A 484 5.634 16.358 11.705 1.00 0.00 H new ATOM 0 HA LEU A 484 5.682 19.329 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 484 4.106 17.891 10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.387 17.364 11.664 1.00 0.00 H new ATOM 0 HG LEU A 484 2.828 19.689 12.231 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.945 21.482 10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.561 20.910 10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.853 20.389 9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.062 19.982 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.942 18.822 9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 484 1.204 18.281 10.946 1.00 0.00 H new ATOM 176 N CYS A 485 5.463 19.694 13.967 1.00 0.00 N ATOM 177 CA CYS A 485 5.179 20.021 15.364 1.00 0.00 C ATOM 178 C CYS A 485 3.663 19.991 15.643 1.00 0.00 C ATOM 179 O CYS A 485 2.864 20.417 14.808 1.00 0.00 O ATOM 180 CB CYS A 485 5.775 21.404 15.659 1.00 0.00 C ATOM 181 SG CYS A 485 7.519 21.239 16.119 1.00 0.00 S ATOM 0 H CYS A 485 5.934 20.440 13.454 1.00 0.00 H new ATOM 0 HA CYS A 485 5.631 19.278 16.021 1.00 0.00 H new ATOM 0 HB2 CYS A 485 5.680 22.045 14.782 1.00 0.00 H new ATOM 0 HB3 CYS A 485 5.221 21.884 16.466 1.00 0.00 H new ATOM 0 HG CYS A 485 7.616 21.089 17.407 1.00 0.00 H new ATOM 187 N ASN A 486 3.278 19.546 16.843 1.00 0.00 N ATOM 188 CA ASN A 486 1.880 19.513 17.304 1.00 0.00 C ATOM 189 C ASN A 486 1.631 20.386 18.552 1.00 0.00 C ATOM 190 O ASN A 486 0.476 20.646 18.893 1.00 0.00 O ATOM 191 CB ASN A 486 1.451 18.042 17.518 1.00 0.00 C ATOM 192 CG ASN A 486 0.495 17.502 16.457 1.00 0.00 C ATOM 193 OD1 ASN A 486 0.298 18.053 15.381 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.172 16.408 16.750 1.00 0.00 N ATOM 0 H ASN A 486 3.938 19.192 17.536 1.00 0.00 H new ATOM 0 HA ASN A 486 1.255 19.957 16.529 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.343 17.416 17.538 1.00 0.00 H new ATOM 0 HB3 ASN A 486 0.977 17.953 18.495 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.845 16.027 16.085 1.00 0.00 H new ATOM 0 HD22 ASN A 486 -0.017 15.940 17.643 1.00 0.00 H new ATOM 201 N TYR A 487 2.699 20.883 19.191 1.00 0.00 N ATOM 202 CA TYR A 487 2.668 21.777 20.354 1.00 0.00 C ATOM 203 C TYR A 487 3.868 22.742 20.301 1.00 0.00 C ATOM 204 O TYR A 487 4.943 22.377 19.816 1.00 0.00 O ATOM 205 CB TYR A 487 2.713 20.943 21.650 1.00 0.00 C ATOM 206 CG TYR A 487 1.637 19.872 21.772 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.375 20.190 22.312 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.889 18.563 21.312 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.630 19.206 22.386 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.888 17.575 21.384 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.378 17.897 21.918 1.00 0.00 C ATOM 212 OH TYR A 487 -1.359 16.955 21.981 1.00 0.00 O ATOM 0 H TYR A 487 3.650 20.662 18.897 1.00 0.00 H new ATOM 0 HA TYR A 487 1.747 22.359 20.339 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.689 20.464 21.720 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.628 21.619 22.501 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.178 21.190 22.670 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.857 18.316 20.901 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.596 19.453 22.802 1.00 0.00 H new ATOM 0 HE2 TYR A 487 1.089 16.574 21.032 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.024 16.109 21.618 1.00 0.00 H new ATOM 222 N ASP A 488 3.701 23.975 20.787 1.00 0.00 N ATOM 223 CA ASP A 488 4.802 24.942 20.917 1.00 0.00 C ATOM 224 C ASP A 488 5.770 24.593 22.068 1.00 0.00 C ATOM 225 O ASP A 488 5.405 23.900 23.024 1.00 0.00 O ATOM 226 CB ASP A 488 4.244 26.364 21.080 1.00 0.00 C ATOM 227 CG ASP A 488 3.659 26.630 22.476 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.498 26.231 22.738 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.349 27.269 23.307 1.00 0.00 O ATOM 0 H ASP A 488 2.800 24.334 21.102 1.00 0.00 H new ATOM 0 HA ASP A 488 5.386 24.891 19.998 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.039 27.084 20.883 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.470 26.531 20.331 1.00 0.00 H new ATOM 234 N PHE A 489 7.006 25.096 21.981 1.00 0.00 N ATOM 235 CA PHE A 489 8.077 24.875 22.958 1.00 0.00 C ATOM 236 C PHE A 489 9.161 25.932 22.735 1.00 0.00 C ATOM 237 O PHE A 489 9.932 25.860 21.774 1.00 0.00 O ATOM 238 CB PHE A 489 8.634 23.448 22.810 1.00 0.00 C ATOM 239 CG PHE A 489 9.765 23.067 23.750 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.491 22.747 25.095 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.087 22.982 23.273 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.533 22.355 25.956 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.126 22.576 24.130 1.00 0.00 C ATOM 244 CZ PHE A 489 11.851 22.272 25.474 1.00 0.00 C ATOM 0 H PHE A 489 7.298 25.688 21.203 1.00 0.00 H new ATOM 0 HA PHE A 489 7.696 24.971 23.975 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.815 22.744 22.957 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.983 23.321 21.785 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.478 22.803 25.466 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.304 23.230 22.244 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.320 22.118 26.988 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.136 22.498 23.755 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.651 21.975 26.136 1.00 0.00 H new ATOM 254 N GLN A 490 9.187 26.958 23.586 1.00 0.00 N ATOM 255 CA GLN A 490 10.277 27.936 23.619 1.00 0.00 C ATOM 256 C GLN A 490 11.555 27.287 24.179 1.00 0.00 C ATOM 257 O GLN A 490 11.548 26.726 25.278 1.00 0.00 O ATOM 258 CB GLN A 490 9.865 29.144 24.470 1.00 0.00 C ATOM 259 CG GLN A 490 8.958 30.122 23.708 1.00 0.00 C ATOM 260 CD GLN A 490 8.757 31.430 24.478 1.00 0.00 C ATOM 261 OE1 GLN A 490 9.694 32.168 24.767 1.00 0.00 O ATOM 262 NE2 GLN A 490 7.539 31.784 24.838 1.00 0.00 N ATOM 0 H GLN A 490 8.453 27.135 24.272 1.00 0.00 H new ATOM 0 HA GLN A 490 10.483 28.278 22.605 1.00 0.00 H new ATOM 0 HB2 GLN A 490 9.347 28.795 25.363 1.00 0.00 H new ATOM 0 HB3 GLN A 490 10.759 29.670 24.805 1.00 0.00 H new ATOM 0 HG2 GLN A 490 9.395 30.338 22.733 1.00 0.00 H new ATOM 0 HG3 GLN A 490 7.990 29.654 23.527 1.00 0.00 H new ATOM 0 HE21 GLN A 490 6.745 31.186 24.608 1.00 0.00 H new ATOM 0 HE22 GLN A 490 7.391 32.656 25.346 1.00 0.00 H new ATOM 271 N ALA A 491 12.655 27.380 23.423 1.00 0.00 N ATOM 272 CA ALA A 491 13.949 26.787 23.764 1.00 0.00 C ATOM 273 C ALA A 491 15.104 27.595 23.149 1.00 0.00 C ATOM 274 O ALA A 491 15.161 27.789 21.934 1.00 0.00 O ATOM 275 CB ALA A 491 13.980 25.349 23.273 1.00 0.00 C ATOM 0 H ALA A 491 12.668 27.883 22.536 1.00 0.00 H new ATOM 0 HA ALA A 491 14.077 26.805 24.846 1.00 0.00 H new ATOM 0 HB1 ALA A 491 14.941 24.900 23.523 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.180 24.784 23.751 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.841 25.331 22.192 1.00 0.00 H new ATOM 330 N SER A 495 22.015 24.484 23.846 1.00 0.00 N ATOM 331 CA SER A 495 21.971 24.158 22.398 1.00 0.00 C ATOM 332 C SER A 495 20.589 23.719 21.856 1.00 0.00 C ATOM 333 O SER A 495 20.489 23.071 20.809 1.00 0.00 O ATOM 334 CB SER A 495 23.091 23.177 22.013 1.00 0.00 C ATOM 335 OG SER A 495 24.362 23.682 22.404 1.00 0.00 O ATOM 0 HA SER A 495 22.153 25.106 21.892 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.916 22.213 22.490 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.078 23.007 20.936 1.00 0.00 H new ATOM 0 HG SER A 495 24.262 24.231 23.209 1.00 0.00 H new ATOM 341 N GLU A 496 19.505 24.068 22.550 1.00 0.00 N ATOM 342 CA GLU A 496 18.110 23.870 22.117 1.00 0.00 C ATOM 343 C GLU A 496 17.631 24.952 21.114 1.00 0.00 C ATOM 344 O GLU A 496 18.308 25.965 20.898 1.00 0.00 O ATOM 345 CB GLU A 496 17.205 23.853 23.362 1.00 0.00 C ATOM 346 CG GLU A 496 17.499 22.673 24.306 1.00 0.00 C ATOM 347 CD GLU A 496 16.863 22.811 25.707 1.00 0.00 C ATOM 348 OE1 GLU A 496 15.779 23.427 25.857 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.435 22.265 26.684 1.00 0.00 O ATOM 0 H GLU A 496 19.571 24.514 23.465 1.00 0.00 H new ATOM 0 HA GLU A 496 18.052 22.918 21.588 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.331 24.788 23.908 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.163 23.807 23.046 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.138 21.754 23.844 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.579 22.571 24.417 1.00 0.00 H new ATOM 356 N LEU A 497 16.449 24.753 20.511 1.00 0.00 N ATOM 357 CA LEU A 497 15.836 25.652 19.516 1.00 0.00 C ATOM 358 C LEU A 497 14.300 25.678 19.643 1.00 0.00 C ATOM 359 O LEU A 497 13.659 24.630 19.754 1.00 0.00 O ATOM 360 CB LEU A 497 16.248 25.134 18.119 1.00 0.00 C ATOM 361 CG LEU A 497 15.648 25.886 16.914 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.497 27.102 16.545 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.542 24.957 15.705 1.00 0.00 C ATOM 0 H LEU A 497 15.873 23.935 20.708 1.00 0.00 H new ATOM 0 HA LEU A 497 16.182 26.673 19.677 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.335 25.176 18.044 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.964 24.084 18.045 1.00 0.00 H new ATOM 0 HG LEU A 497 14.653 26.227 17.199 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.050 27.613 15.692 1.00 0.00 H new ATOM 0 HD12 LEU A 497 16.543 27.785 17.393 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.505 26.777 16.286 1.00 0.00 H new ATOM 0 HD21 LEU A 497 15.117 25.503 14.863 1.00 0.00 H new ATOM 0 HD22 LEU A 497 16.534 24.593 15.438 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.900 24.112 15.951 1.00 0.00 H new ATOM 375 N SER A 498 13.708 26.878 19.609 1.00 0.00 N ATOM 376 CA SER A 498 12.254 27.071 19.731 1.00 0.00 C ATOM 377 C SER A 498 11.468 26.541 18.523 1.00 0.00 C ATOM 378 O SER A 498 11.947 26.577 17.383 1.00 0.00 O ATOM 379 CB SER A 498 11.899 28.545 19.984 1.00 0.00 C ATOM 380 OG SER A 498 12.207 29.389 18.886 1.00 0.00 O ATOM 0 H SER A 498 14.226 27.749 19.495 1.00 0.00 H new ATOM 0 HA SER A 498 11.953 26.479 20.596 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.835 28.623 20.207 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.436 28.895 20.866 1.00 0.00 H new ATOM 0 HG SER A 498 11.959 30.312 19.103 1.00 0.00 H new ATOM 386 N VAL A 499 10.232 26.087 18.765 1.00 0.00 N ATOM 387 CA VAL A 499 9.310 25.571 17.733 1.00 0.00 C ATOM 388 C VAL A 499 7.857 26.000 17.987 1.00 0.00 C ATOM 389 O VAL A 499 7.492 26.391 19.101 1.00 0.00 O ATOM 390 CB VAL A 499 9.404 24.033 17.591 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.816 23.552 17.233 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.957 23.276 18.846 1.00 0.00 C ATOM 0 H VAL A 499 9.832 26.066 19.703 1.00 0.00 H new ATOM 0 HA VAL A 499 9.628 26.017 16.791 1.00 0.00 H new ATOM 0 HB VAL A 499 8.719 23.808 16.774 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.819 22.465 17.147 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.120 23.992 16.283 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.513 23.856 18.014 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.049 22.203 18.676 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.585 23.565 19.688 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.918 23.520 19.068 1.00 0.00 H new ATOM 402 N LYS A 500 7.018 25.900 16.948 1.00 0.00 N ATOM 403 CA LYS A 500 5.596 26.302 16.933 1.00 0.00 C ATOM 404 C LYS A 500 4.726 25.165 16.396 1.00 0.00 C ATOM 405 O LYS A 500 5.177 24.360 15.586 1.00 0.00 O ATOM 406 CB LYS A 500 5.398 27.532 16.020 1.00 0.00 C ATOM 407 CG LYS A 500 6.255 28.778 16.299 1.00 0.00 C ATOM 408 CD LYS A 500 5.739 29.725 17.393 1.00 0.00 C ATOM 409 CE LYS A 500 5.902 29.174 18.813 1.00 0.00 C ATOM 410 NZ LYS A 500 5.561 30.205 19.831 1.00 0.00 N ATOM 0 H LYS A 500 7.321 25.520 16.051 1.00 0.00 H new ATOM 0 HA LYS A 500 5.305 26.543 17.956 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.585 27.220 14.993 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.350 27.827 16.078 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.257 28.450 16.575 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.349 29.344 15.372 1.00 0.00 H new ATOM 0 HD2 LYS A 500 6.269 30.675 17.318 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.684 29.933 17.213 1.00 0.00 H new ATOM 0 HE2 LYS A 500 5.260 28.303 18.944 1.00 0.00 H new ATOM 0 HE3 LYS A 500 6.929 28.839 18.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 5.680 29.805 20.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 6.190 31.025 19.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 4.574 30.506 19.703 1.00 0.00 H new ATOM 424 N GLN A 501 3.445 25.164 16.762 1.00 0.00 N ATOM 425 CA GLN A 501 2.449 24.160 16.335 1.00 0.00 C ATOM 426 C GLN A 501 2.194 24.127 14.809 1.00 0.00 C ATOM 427 O GLN A 501 1.625 23.163 14.296 1.00 0.00 O ATOM 428 CB GLN A 501 1.161 24.406 17.147 1.00 0.00 C ATOM 429 CG GLN A 501 0.010 23.428 16.839 1.00 0.00 C ATOM 430 CD GLN A 501 -1.188 23.551 17.784 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.113 24.051 18.901 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.358 23.117 17.360 1.00 0.00 N ATOM 0 H GLN A 501 3.053 25.875 17.379 1.00 0.00 H new ATOM 0 HA GLN A 501 2.845 23.166 16.542 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.399 24.343 18.209 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.817 25.423 16.958 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.329 23.594 15.817 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.392 22.408 16.886 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.441 22.698 16.434 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.180 23.200 17.958 1.00 0.00 H new ATOM 441 N ARG A 502 2.636 25.154 14.066 1.00 0.00 N ATOM 442 CA ARG A 502 2.444 25.280 12.607 1.00 0.00 C ATOM 443 C ARG A 502 3.765 25.340 11.827 1.00 0.00 C ATOM 444 O ARG A 502 3.770 25.729 10.656 1.00 0.00 O ATOM 445 CB ARG A 502 1.503 26.465 12.304 1.00 0.00 C ATOM 446 CG ARG A 502 0.193 26.398 13.114 1.00 0.00 C ATOM 447 CD ARG A 502 -0.885 27.356 12.585 1.00 0.00 C ATOM 448 NE ARG A 502 -1.459 26.893 11.304 1.00 0.00 N ATOM 449 CZ ARG A 502 -2.379 25.956 11.131 1.00 0.00 C ATOM 450 NH1 ARG A 502 -2.925 25.315 12.128 1.00 0.00 N ATOM 451 NH2 ARG A 502 -2.771 25.636 9.931 1.00 0.00 N ATOM 0 H ARG A 502 3.148 25.939 14.469 1.00 0.00 H new ATOM 0 HA ARG A 502 1.964 24.369 12.249 1.00 0.00 H new ATOM 0 HB2 ARG A 502 2.017 27.400 12.527 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.269 26.476 11.240 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.191 25.378 13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.404 26.636 14.157 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -1.680 27.451 13.325 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -0.454 28.348 12.451 1.00 0.00 H new ATOM 0 HE ARG A 502 -1.108 27.345 10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.646 25.529 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -3.630 24.600 11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -2.369 26.107 9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -3.480 24.914 9.802 1.00 0.00 H new ATOM 465 N ASP A 503 4.874 24.921 12.446 1.00 0.00 N ATOM 466 CA ASP A 503 6.206 24.894 11.818 1.00 0.00 C ATOM 467 C ASP A 503 6.627 23.443 11.515 1.00 0.00 C ATOM 468 O ASP A 503 6.783 22.618 12.421 1.00 0.00 O ATOM 469 CB ASP A 503 7.241 25.613 12.707 1.00 0.00 C ATOM 470 CG ASP A 503 7.240 27.150 12.571 1.00 0.00 C ATOM 471 OD1 ASP A 503 6.212 27.763 12.192 1.00 0.00 O ATOM 472 OD2 ASP A 503 8.298 27.767 12.850 1.00 0.00 O ATOM 0 H ASP A 503 4.875 24.586 13.409 1.00 0.00 H new ATOM 0 HA ASP A 503 6.159 25.431 10.871 1.00 0.00 H new ATOM 0 HB2 ASP A 503 7.051 25.352 13.748 1.00 0.00 H new ATOM 0 HB3 ASP A 503 8.235 25.239 12.461 1.00 0.00 H new ATOM 477 N VAL A 504 6.794 23.124 10.226 1.00 0.00 N ATOM 478 CA VAL A 504 7.331 21.833 9.751 1.00 0.00 C ATOM 479 C VAL A 504 8.867 21.857 9.753 1.00 0.00 C ATOM 480 O VAL A 504 9.480 22.882 9.438 1.00 0.00 O ATOM 481 CB VAL A 504 6.746 21.488 8.364 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.279 22.361 7.219 1.00 0.00 C ATOM 483 CG2 VAL A 504 6.959 20.013 8.020 1.00 0.00 C ATOM 0 H VAL A 504 6.557 23.763 9.467 1.00 0.00 H new ATOM 0 HA VAL A 504 7.025 21.041 10.435 1.00 0.00 H new ATOM 0 HB VAL A 504 5.681 21.700 8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.817 22.052 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.038 23.406 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.360 22.245 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.536 19.804 7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.026 19.792 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.467 19.390 8.767 1.00 0.00 H new ATOM 493 N LEU A 505 9.496 20.740 10.136 1.00 0.00 N ATOM 494 CA LEU A 505 10.931 20.647 10.442 1.00 0.00 C ATOM 495 C LEU A 505 11.522 19.323 9.917 1.00 0.00 C ATOM 496 O LEU A 505 10.820 18.319 9.787 1.00 0.00 O ATOM 497 CB LEU A 505 11.121 20.762 11.973 1.00 0.00 C ATOM 498 CG LEU A 505 10.569 22.050 12.623 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.551 21.942 14.144 1.00 0.00 C ATOM 500 CD2 LEU A 505 11.396 23.283 12.260 1.00 0.00 C ATOM 0 H LEU A 505 9.009 19.851 10.245 1.00 0.00 H new ATOM 0 HA LEU A 505 11.461 21.460 9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.641 19.905 12.445 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.186 20.693 12.194 1.00 0.00 H new ATOM 0 HG LEU A 505 9.556 22.162 12.236 1.00 0.00 H new ATOM 0 HD11 LEU A 505 10.157 22.865 14.570 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.918 21.106 14.442 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.565 21.778 14.509 1.00 0.00 H new ATOM 0 HD21 LEU A 505 10.968 24.163 12.741 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.422 23.146 12.601 1.00 0.00 H new ATOM 0 HD23 LEU A 505 11.388 23.421 11.179 1.00 0.00 H new ATOM 512 N GLU A 506 12.825 19.301 9.634 1.00 0.00 N ATOM 513 CA GLU A 506 13.519 18.130 9.075 1.00 0.00 C ATOM 514 C GLU A 506 14.435 17.512 10.140 1.00 0.00 C ATOM 515 O GLU A 506 15.456 18.102 10.495 1.00 0.00 O ATOM 516 CB GLU A 506 14.316 18.548 7.828 1.00 0.00 C ATOM 517 CG GLU A 506 14.924 17.352 7.072 1.00 0.00 C ATOM 518 CD GLU A 506 16.446 17.480 6.847 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.936 18.580 6.491 1.00 0.00 O ATOM 520 OE2 GLU A 506 17.170 16.462 6.970 1.00 0.00 O ATOM 0 H GLU A 506 13.438 20.102 9.786 1.00 0.00 H new ATOM 0 HA GLU A 506 12.790 17.377 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.662 19.102 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.115 19.227 8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 506 14.722 16.438 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.428 17.252 6.106 1.00 0.00 H new ATOM 527 N VAL A 507 14.061 16.348 10.687 1.00 0.00 N ATOM 528 CA VAL A 507 14.910 15.606 11.636 1.00 0.00 C ATOM 529 C VAL A 507 16.170 15.058 10.957 1.00 0.00 C ATOM 530 O VAL A 507 16.107 14.504 9.855 1.00 0.00 O ATOM 531 CB VAL A 507 14.111 14.510 12.376 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.635 13.361 11.484 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.904 13.913 13.543 1.00 0.00 C ATOM 0 H VAL A 507 13.169 15.895 10.488 1.00 0.00 H new ATOM 0 HA VAL A 507 15.249 16.310 12.396 1.00 0.00 H new ATOM 0 HB VAL A 507 13.229 15.035 12.742 1.00 0.00 H new ATOM 0 HG11 VAL A 507 13.084 12.638 12.085 1.00 0.00 H new ATOM 0 HG12 VAL A 507 12.985 13.753 10.701 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.497 12.872 11.029 1.00 0.00 H new ATOM 0 HG21 VAL A 507 14.305 13.147 14.035 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.825 13.468 13.167 1.00 0.00 H new ATOM 0 HG23 VAL A 507 15.147 14.699 14.258 1.00 0.00 H new ATOM 543 N LEU A 508 17.317 15.195 11.634 1.00 0.00 N ATOM 544 CA LEU A 508 18.630 14.721 11.161 1.00 0.00 C ATOM 545 C LEU A 508 19.319 13.775 12.162 1.00 0.00 C ATOM 546 O LEU A 508 20.232 13.040 11.780 1.00 0.00 O ATOM 547 CB LEU A 508 19.580 15.882 10.778 1.00 0.00 C ATOM 548 CG LEU A 508 18.941 17.211 10.327 1.00 0.00 C ATOM 549 CD1 LEU A 508 18.800 18.151 11.524 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.824 17.925 9.303 1.00 0.00 C ATOM 0 H LEU A 508 17.362 15.648 12.547 1.00 0.00 H new ATOM 0 HA LEU A 508 18.417 14.150 10.257 1.00 0.00 H new ATOM 0 HB2 LEU A 508 20.218 16.091 11.637 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.230 15.533 9.976 1.00 0.00 H new ATOM 0 HG LEU A 508 17.971 16.974 9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 508 18.348 19.088 11.199 1.00 0.00 H new ATOM 0 HD12 LEU A 508 18.167 17.686 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 508 19.784 18.351 11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 508 19.350 18.859 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.796 18.138 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 508 19.956 17.287 8.429 1.00 0.00 H new ATOM 562 N ASP A 509 18.872 13.758 13.423 1.00 0.00 N ATOM 563 CA ASP A 509 19.309 12.809 14.451 1.00 0.00 C ATOM 564 C ASP A 509 18.148 12.491 15.413 1.00 0.00 C ATOM 565 O ASP A 509 17.437 13.389 15.869 1.00 0.00 O ATOM 566 CB ASP A 509 20.516 13.383 15.209 1.00 0.00 C ATOM 567 CG ASP A 509 21.255 12.293 16.002 1.00 0.00 C ATOM 568 OD1 ASP A 509 20.729 11.826 17.041 1.00 0.00 O ATOM 569 OD2 ASP A 509 22.366 11.890 15.582 1.00 0.00 O ATOM 0 H ASP A 509 18.178 14.422 13.765 1.00 0.00 H new ATOM 0 HA ASP A 509 19.613 11.877 13.975 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.203 13.849 14.502 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.181 14.165 15.890 1.00 0.00 H new ATOM 574 N ASP A 510 17.959 11.205 15.718 1.00 0.00 N ATOM 575 CA ASP A 510 16.862 10.667 16.541 1.00 0.00 C ATOM 576 C ASP A 510 17.349 9.566 17.519 1.00 0.00 C ATOM 577 O ASP A 510 16.571 8.729 17.988 1.00 0.00 O ATOM 578 CB ASP A 510 15.714 10.210 15.617 1.00 0.00 C ATOM 579 CG ASP A 510 16.161 9.244 14.506 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.481 8.067 14.800 1.00 0.00 O ATOM 581 OD2 ASP A 510 16.180 9.649 13.317 1.00 0.00 O ATOM 0 H ASP A 510 18.590 10.476 15.386 1.00 0.00 H new ATOM 0 HA ASP A 510 16.476 11.454 17.188 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.945 9.726 16.220 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.256 11.087 15.161 1.00 0.00 H new ATOM 586 N SER A 511 18.655 9.561 17.831 1.00 0.00 N ATOM 587 CA SER A 511 19.333 8.554 18.669 1.00 0.00 C ATOM 588 C SER A 511 18.806 8.469 20.116 1.00 0.00 C ATOM 589 O SER A 511 18.782 7.383 20.709 1.00 0.00 O ATOM 590 CB SER A 511 20.837 8.865 18.676 1.00 0.00 C ATOM 591 OG SER A 511 21.583 7.842 19.316 1.00 0.00 O ATOM 0 H SER A 511 19.292 10.283 17.495 1.00 0.00 H new ATOM 0 HA SER A 511 19.124 7.579 18.229 1.00 0.00 H new ATOM 0 HB2 SER A 511 21.188 8.984 17.651 1.00 0.00 H new ATOM 0 HB3 SER A 511 21.010 9.813 19.185 1.00 0.00 H new ATOM 0 HG SER A 511 22.535 8.073 19.300 1.00 0.00 H new ATOM 597 N ARG A 512 18.336 9.596 20.675 1.00 0.00 N ATOM 598 CA ARG A 512 17.759 9.739 22.032 1.00 0.00 C ATOM 599 C ARG A 512 16.430 10.507 21.986 1.00 0.00 C ATOM 600 O ARG A 512 16.032 10.981 20.923 1.00 0.00 O ATOM 601 CB ARG A 512 18.763 10.459 22.957 1.00 0.00 C ATOM 602 CG ARG A 512 20.110 9.736 23.156 1.00 0.00 C ATOM 603 CD ARG A 512 20.465 9.492 24.634 1.00 0.00 C ATOM 604 NE ARG A 512 20.374 10.707 25.475 1.00 0.00 N ATOM 605 CZ ARG A 512 21.229 11.711 25.554 1.00 0.00 C ATOM 606 NH1 ARG A 512 22.328 11.754 24.852 1.00 0.00 N ATOM 607 NH2 ARG A 512 20.990 12.710 26.356 1.00 0.00 N ATOM 0 H ARG A 512 18.346 10.482 20.170 1.00 0.00 H new ATOM 0 HA ARG A 512 17.559 8.744 22.429 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.959 11.452 22.551 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.297 10.600 23.932 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.080 8.779 22.635 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.901 10.326 22.693 1.00 0.00 H new ATOM 0 HD2 ARG A 512 19.798 8.730 25.038 1.00 0.00 H new ATOM 0 HD3 ARG A 512 21.478 9.094 24.695 1.00 0.00 H new ATOM 0 HE ARG A 512 19.547 10.778 26.068 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.554 10.993 24.212 1.00 0.00 H new ATOM 0 HH12 ARG A 512 22.961 12.549 24.944 1.00 0.00 H new ATOM 0 HH21 ARG A 512 20.142 12.717 26.923 1.00 0.00 H new ATOM 0 HH22 ARG A 512 21.651 13.485 26.416 1.00 0.00 H new ATOM 621 N LYS A 513 15.756 10.680 23.137 1.00 0.00 N ATOM 622 CA LYS A 513 14.499 11.457 23.257 1.00 0.00 C ATOM 623 C LYS A 513 14.585 12.901 22.724 1.00 0.00 C ATOM 624 O LYS A 513 13.586 13.439 22.246 1.00 0.00 O ATOM 625 CB LYS A 513 13.956 11.418 24.701 1.00 0.00 C ATOM 626 CG LYS A 513 14.856 12.120 25.739 1.00 0.00 C ATOM 627 CD LYS A 513 14.062 12.909 26.797 1.00 0.00 C ATOM 628 CE LYS A 513 13.894 12.192 28.141 1.00 0.00 C ATOM 629 NZ LYS A 513 15.183 12.091 28.882 1.00 0.00 N ATOM 0 H LYS A 513 16.068 10.282 24.023 1.00 0.00 H new ATOM 0 HA LYS A 513 13.787 10.957 22.600 1.00 0.00 H new ATOM 0 HB2 LYS A 513 12.971 11.884 24.718 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.822 10.378 24.998 1.00 0.00 H new ATOM 0 HG2 LYS A 513 15.473 11.373 26.239 1.00 0.00 H new ATOM 0 HG3 LYS A 513 15.534 12.799 25.222 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.562 13.862 26.970 1.00 0.00 H new ATOM 0 HD3 LYS A 513 13.074 13.135 26.396 1.00 0.00 H new ATOM 0 HE2 LYS A 513 13.166 12.728 28.750 1.00 0.00 H new ATOM 0 HE3 LYS A 513 13.493 11.193 27.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 15.008 11.708 29.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 15.830 11.459 28.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 15.612 13.035 28.963 1.00 0.00 H new ATOM 643 N TRP A 514 15.769 13.515 22.783 1.00 0.00 N ATOM 644 CA TRP A 514 16.069 14.817 22.185 1.00 0.00 C ATOM 645 C TRP A 514 16.408 14.641 20.699 1.00 0.00 C ATOM 646 O TRP A 514 17.565 14.418 20.328 1.00 0.00 O ATOM 647 CB TRP A 514 17.201 15.508 22.955 1.00 0.00 C ATOM 648 CG TRP A 514 16.846 15.935 24.348 1.00 0.00 C ATOM 649 CD1 TRP A 514 17.077 15.231 25.479 1.00 0.00 C ATOM 650 CD2 TRP A 514 16.190 17.169 24.775 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.585 15.927 26.570 1.00 0.00 N ATOM 652 CE2 TRP A 514 16.010 17.122 26.190 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.734 18.327 24.111 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.378 18.154 26.902 1.00 0.00 C ATOM 655 CZ3 TRP A 514 15.124 19.383 24.816 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.934 19.291 26.207 1.00 0.00 C ATOM 0 H TRP A 514 16.570 13.106 23.264 1.00 0.00 H new ATOM 0 HA TRP A 514 15.192 15.461 22.252 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.054 14.831 23.004 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.522 16.385 22.392 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.570 14.271 25.524 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.641 15.598 27.534 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.855 18.406 23.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 15.235 18.075 27.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.801 20.267 24.286 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.447 20.094 26.740 1.00 0.00 H new ATOM 667 N TRP A 515 15.388 14.704 19.843 1.00 0.00 N ATOM 668 CA TRP A 515 15.561 14.723 18.390 1.00 0.00 C ATOM 669 C TRP A 515 16.191 16.056 17.964 1.00 0.00 C ATOM 670 O TRP A 515 15.834 17.119 18.483 1.00 0.00 O ATOM 671 CB TRP A 515 14.212 14.478 17.686 1.00 0.00 C ATOM 672 CG TRP A 515 13.689 13.064 17.726 1.00 0.00 C ATOM 673 CD1 TRP A 515 14.013 12.132 18.650 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.793 12.378 16.791 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.394 10.934 18.367 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.643 11.022 17.218 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.110 12.749 15.609 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.886 10.079 16.506 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.364 11.804 14.876 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.252 10.474 15.318 1.00 0.00 C ATOM 0 H TRP A 515 14.413 14.744 20.140 1.00 0.00 H new ATOM 0 HA TRP A 515 16.234 13.919 18.092 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.466 15.132 18.137 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.310 14.778 16.643 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.666 12.303 19.493 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.481 10.092 18.935 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.161 13.771 15.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.793 9.065 16.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.872 12.105 13.963 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.680 9.759 14.745 1.00 0.00 H new ATOM 691 N LYS A 516 17.122 16.006 17.006 1.00 0.00 N ATOM 692 CA LYS A 516 17.713 17.198 16.385 1.00 0.00 C ATOM 693 C LYS A 516 17.042 17.447 15.044 1.00 0.00 C ATOM 694 O LYS A 516 16.963 16.540 14.211 1.00 0.00 O ATOM 695 CB LYS A 516 19.234 17.048 16.207 1.00 0.00 C ATOM 696 CG LYS A 516 19.895 18.439 16.216 1.00 0.00 C ATOM 697 CD LYS A 516 21.344 18.440 15.710 1.00 0.00 C ATOM 698 CE LYS A 516 21.390 18.315 14.179 1.00 0.00 C ATOM 699 NZ LYS A 516 22.777 18.454 13.654 1.00 0.00 N ATOM 0 H LYS A 516 17.490 15.130 16.636 1.00 0.00 H new ATOM 0 HA LYS A 516 17.548 18.051 17.043 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.645 16.434 17.008 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.452 16.537 15.269 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.304 19.116 15.599 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.874 18.834 17.232 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.841 19.360 16.019 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.892 17.614 16.163 1.00 0.00 H new ATOM 0 HE2 LYS A 516 20.984 17.348 13.881 1.00 0.00 H new ATOM 0 HE3 LYS A 516 20.754 19.079 13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 22.767 18.364 12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 23.156 19.386 13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.378 17.709 14.060 1.00 0.00 H new ATOM 713 N VAL A 517 16.596 18.679 14.818 1.00 0.00 N ATOM 714 CA VAL A 517 15.866 19.081 13.606 1.00 0.00 C ATOM 715 C VAL A 517 16.410 20.399 13.045 1.00 0.00 C ATOM 716 O VAL A 517 17.025 21.188 13.769 1.00 0.00 O ATOM 717 CB VAL A 517 14.343 19.165 13.865 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.757 17.907 14.525 1.00 0.00 C ATOM 719 CG2 VAL A 517 13.952 20.349 14.759 1.00 0.00 C ATOM 0 H VAL A 517 16.731 19.444 15.479 1.00 0.00 H new ATOM 0 HA VAL A 517 16.026 18.309 12.853 1.00 0.00 H new ATOM 0 HB VAL A 517 13.930 19.285 12.863 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.686 18.040 14.675 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.929 17.045 13.881 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.240 17.743 15.488 1.00 0.00 H new ATOM 0 HG21 VAL A 517 12.872 20.354 14.904 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.447 20.254 15.725 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.259 21.281 14.284 1.00 0.00 H new ATOM 729 N ARG A 518 16.169 20.638 11.752 1.00 0.00 N ATOM 730 CA ARG A 518 16.597 21.824 11.002 1.00 0.00 C ATOM 731 C ARG A 518 15.375 22.633 10.587 1.00 0.00 C ATOM 732 O ARG A 518 14.438 22.109 9.976 1.00 0.00 O ATOM 733 CB ARG A 518 17.468 21.394 9.807 1.00 0.00 C ATOM 734 CG ARG A 518 17.902 22.558 8.898 1.00 0.00 C ATOM 735 CD ARG A 518 19.129 22.205 8.042 1.00 0.00 C ATOM 736 NE ARG A 518 18.928 20.989 7.228 1.00 0.00 N ATOM 737 CZ ARG A 518 19.801 20.437 6.405 1.00 0.00 C ATOM 738 NH1 ARG A 518 20.975 20.957 6.168 1.00 0.00 N ATOM 739 NH2 ARG A 518 19.497 19.329 5.801 1.00 0.00 N ATOM 0 H ARG A 518 15.647 19.980 11.173 1.00 0.00 H new ATOM 0 HA ARG A 518 17.212 22.472 11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.358 20.888 10.182 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.916 20.667 9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.074 22.834 8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 518 18.129 23.430 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.361 23.043 7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.992 22.063 8.693 1.00 0.00 H new ATOM 0 HE ARG A 518 18.022 20.528 7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 518 21.250 21.825 6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 518 21.617 20.495 5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 518 18.590 18.892 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 518 20.165 18.896 5.164 1.00 0.00 H new ATOM 753 N ASP A 519 15.388 23.901 10.972 1.00 0.00 N ATOM 754 CA ASP A 519 14.364 24.886 10.617 1.00 0.00 C ATOM 755 C ASP A 519 14.539 25.437 9.179 1.00 0.00 C ATOM 756 O ASP A 519 15.607 25.277 8.570 1.00 0.00 O ATOM 757 CB ASP A 519 14.321 25.986 11.697 1.00 0.00 C ATOM 758 CG ASP A 519 15.574 26.868 11.823 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.218 27.181 10.794 1.00 0.00 O ATOM 760 OD2 ASP A 519 15.852 27.327 12.952 1.00 0.00 O ATOM 0 H ASP A 519 16.129 24.288 11.556 1.00 0.00 H new ATOM 0 HA ASP A 519 13.391 24.395 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.467 26.632 11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.139 25.512 12.661 1.00 0.00 H new ATOM 765 N PRO A 520 13.507 26.089 8.603 1.00 0.00 N ATOM 766 CA PRO A 520 13.602 26.703 7.275 1.00 0.00 C ATOM 767 C PRO A 520 14.463 27.979 7.212 1.00 0.00 C ATOM 768 O PRO A 520 14.766 28.452 6.112 1.00 0.00 O ATOM 769 CB PRO A 520 12.153 26.967 6.853 1.00 0.00 C ATOM 770 CG PRO A 520 11.402 27.115 8.174 1.00 0.00 C ATOM 771 CD PRO A 520 12.129 26.130 9.083 1.00 0.00 C ATOM 0 HA PRO A 520 14.124 26.031 6.594 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.073 27.868 6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.755 26.145 6.258 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.453 28.134 8.557 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.346 26.867 8.070 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.087 26.453 10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.669 25.143 9.037 1.00 0.00 H new ATOM 779 N ALA A 521 14.879 28.541 8.355 1.00 0.00 N ATOM 780 CA ALA A 521 15.802 29.682 8.409 1.00 0.00 C ATOM 781 C ALA A 521 17.261 29.288 8.105 1.00 0.00 C ATOM 782 O ALA A 521 18.032 30.113 7.604 1.00 0.00 O ATOM 783 CB ALA A 521 15.689 30.366 9.775 1.00 0.00 C ATOM 0 H ALA A 521 14.582 28.214 9.274 1.00 0.00 H new ATOM 0 HA ALA A 521 15.511 30.381 7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.374 31.213 9.816 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.668 30.718 9.922 1.00 0.00 H new ATOM 0 HB3 ALA A 521 15.945 29.655 10.560 1.00 0.00 H new ATOM 789 N GLY A 522 17.637 28.035 8.388 1.00 0.00 N ATOM 790 CA GLY A 522 18.976 27.482 8.164 1.00 0.00 C ATOM 791 C GLY A 522 19.773 27.239 9.453 1.00 0.00 C ATOM 792 O GLY A 522 21.008 27.234 9.409 1.00 0.00 O ATOM 0 H GLY A 522 16.994 27.355 8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.883 26.540 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.537 28.163 7.525 1.00 0.00 H new ATOM 796 N GLN A 523 19.091 27.062 10.589 1.00 0.00 N ATOM 797 CA GLN A 523 19.683 26.702 11.888 1.00 0.00 C ATOM 798 C GLN A 523 19.153 25.341 12.387 1.00 0.00 C ATOM 799 O GLN A 523 18.141 24.822 11.901 1.00 0.00 O ATOM 800 CB GLN A 523 19.406 27.797 12.939 1.00 0.00 C ATOM 801 CG GLN A 523 19.833 29.222 12.535 1.00 0.00 C ATOM 802 CD GLN A 523 20.852 29.831 13.507 1.00 0.00 C ATOM 803 OE1 GLN A 523 22.048 29.887 13.243 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.445 30.297 14.674 1.00 0.00 N ATOM 0 H GLN A 523 18.078 27.168 10.635 1.00 0.00 H new ATOM 0 HA GLN A 523 20.760 26.618 11.746 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.338 27.804 13.159 1.00 0.00 H new ATOM 0 HB3 GLN A 523 19.920 27.530 13.862 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.261 29.198 11.533 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.952 29.862 12.490 1.00 0.00 H new ATOM 0 HE21 GLN A 523 19.456 30.263 14.920 1.00 0.00 H new ATOM 0 HE22 GLN A 523 21.120 30.691 15.329 1.00 0.00 H new ATOM 813 N GLU A 524 19.815 24.770 13.398 1.00 0.00 N ATOM 814 CA GLU A 524 19.430 23.495 14.022 1.00 0.00 C ATOM 815 C GLU A 524 19.472 23.565 15.557 1.00 0.00 C ATOM 816 O GLU A 524 20.155 24.409 16.146 1.00 0.00 O ATOM 817 CB GLU A 524 20.340 22.338 13.559 1.00 0.00 C ATOM 818 CG GLU A 524 20.447 22.128 12.040 1.00 0.00 C ATOM 819 CD GLU A 524 21.653 22.866 11.425 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.813 22.504 11.743 1.00 0.00 O ATOM 821 OE2 GLU A 524 21.460 23.779 10.587 1.00 0.00 O ATOM 0 H GLU A 524 20.648 25.186 13.815 1.00 0.00 H new ATOM 0 HA GLU A 524 18.405 23.305 13.702 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.342 22.511 13.953 1.00 0.00 H new ATOM 0 HB3 GLU A 524 19.976 21.414 14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.531 21.062 11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 524 19.531 22.476 11.563 1.00 0.00 H new ATOM 828 N GLY A 525 18.776 22.632 16.210 1.00 0.00 N ATOM 829 CA GLY A 525 18.845 22.423 17.657 1.00 0.00 C ATOM 830 C GLY A 525 18.016 21.232 18.137 1.00 0.00 C ATOM 831 O GLY A 525 17.276 20.610 17.370 1.00 0.00 O ATOM 0 H GLY A 525 18.138 21.990 15.740 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.885 22.273 17.946 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.500 23.324 18.164 1.00 0.00 H new ATOM 835 N TYR A 526 18.169 20.911 19.421 1.00 0.00 N ATOM 836 CA TYR A 526 17.513 19.774 20.070 1.00 0.00 C ATOM 837 C TYR A 526 16.139 20.140 20.658 1.00 0.00 C ATOM 838 O TYR A 526 15.967 21.215 21.242 1.00 0.00 O ATOM 839 CB TYR A 526 18.449 19.236 21.160 1.00 0.00 C ATOM 840 CG TYR A 526 19.700 18.581 20.603 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.618 17.285 20.056 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.933 19.265 20.603 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.762 16.666 19.518 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.077 18.655 20.052 1.00 0.00 C ATOM 845 CZ TYR A 526 21.996 17.355 19.509 1.00 0.00 C ATOM 846 OH TYR A 526 23.103 16.772 18.974 1.00 0.00 O ATOM 0 H TYR A 526 18.765 21.445 20.054 1.00 0.00 H new ATOM 0 HA TYR A 526 17.322 19.007 19.319 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.738 20.055 21.819 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.908 18.512 21.770 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.672 16.764 20.050 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.000 20.257 21.025 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.697 15.667 19.113 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.019 19.184 20.045 1.00 0.00 H new ATOM 0 HH TYR A 526 23.864 17.385 19.049 1.00 0.00 H new ATOM 856 N VAL A 527 15.182 19.211 20.546 1.00 0.00 N ATOM 857 CA VAL A 527 13.814 19.277 21.108 1.00 0.00 C ATOM 858 C VAL A 527 13.301 17.867 21.459 1.00 0.00 C ATOM 859 O VAL A 527 13.730 16.895 20.831 1.00 0.00 O ATOM 860 CB VAL A 527 12.808 19.935 20.131 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.960 21.456 20.100 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.880 19.401 18.694 1.00 0.00 C ATOM 0 H VAL A 527 15.343 18.343 20.034 1.00 0.00 H new ATOM 0 HA VAL A 527 13.881 19.891 22.006 1.00 0.00 H new ATOM 0 HB VAL A 527 11.831 19.662 20.531 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.237 21.880 19.403 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.783 21.860 21.097 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.969 21.714 19.778 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.143 19.915 18.077 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.877 19.577 18.290 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.671 18.331 18.693 1.00 0.00 H new ATOM 872 N PRO A 528 12.386 17.705 22.435 1.00 0.00 N ATOM 873 CA PRO A 528 11.825 16.394 22.765 1.00 0.00 C ATOM 874 C PRO A 528 10.932 15.859 21.632 1.00 0.00 C ATOM 875 O PRO A 528 10.148 16.603 21.045 1.00 0.00 O ATOM 876 CB PRO A 528 11.040 16.606 24.066 1.00 0.00 C ATOM 877 CG PRO A 528 10.668 18.088 24.047 1.00 0.00 C ATOM 878 CD PRO A 528 11.826 18.742 23.294 1.00 0.00 C ATOM 0 HA PRO A 528 12.603 15.641 22.890 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.153 15.974 24.102 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.644 16.359 24.939 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.717 18.256 23.542 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.569 18.489 25.056 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.478 19.590 22.705 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.577 19.122 23.987 1.00 0.00 H new ATOM 886 N TYR A 529 10.987 14.553 21.350 1.00 0.00 N ATOM 887 CA TYR A 529 10.101 13.918 20.356 1.00 0.00 C ATOM 888 C TYR A 529 8.606 13.965 20.731 1.00 0.00 C ATOM 889 O TYR A 529 7.747 13.862 19.855 1.00 0.00 O ATOM 890 CB TYR A 529 10.545 12.475 20.078 1.00 0.00 C ATOM 891 CG TYR A 529 10.079 11.441 21.090 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.806 11.238 22.278 1.00 0.00 C ATOM 893 CD2 TYR A 529 8.915 10.684 20.847 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.389 10.273 23.212 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.486 9.722 21.783 1.00 0.00 C ATOM 896 CZ TYR A 529 9.229 9.509 22.967 1.00 0.00 C ATOM 897 OH TYR A 529 8.831 8.575 23.872 1.00 0.00 O ATOM 0 H TYR A 529 11.638 13.908 21.797 1.00 0.00 H new ATOM 0 HA TYR A 529 10.200 14.510 19.446 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.180 12.184 19.093 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.634 12.450 20.034 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.690 11.827 22.474 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.350 10.842 19.940 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.957 10.117 24.117 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.591 9.148 21.596 1.00 0.00 H new ATOM 0 HH TYR A 529 8.014 8.138 23.553 1.00 0.00 H new ATOM 907 N ASN A 530 8.284 14.147 22.019 1.00 0.00 N ATOM 908 CA ASN A 530 6.917 14.176 22.556 1.00 0.00 C ATOM 909 C ASN A 530 6.003 15.239 21.901 1.00 0.00 C ATOM 910 O ASN A 530 4.793 15.024 21.792 1.00 0.00 O ATOM 911 CB ASN A 530 7.031 14.374 24.080 1.00 0.00 C ATOM 912 CG ASN A 530 5.695 14.239 24.795 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.969 15.202 25.003 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.334 13.044 25.212 1.00 0.00 N ATOM 0 H ASN A 530 8.992 14.283 22.740 1.00 0.00 H new ATOM 0 HA ASN A 530 6.426 13.232 22.319 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.730 13.642 24.485 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.448 15.360 24.283 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.451 12.922 25.707 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.937 12.240 25.040 1.00 0.00 H new ATOM 921 N ILE A 531 6.577 16.356 21.427 1.00 0.00 N ATOM 922 CA ILE A 531 5.852 17.462 20.765 1.00 0.00 C ATOM 923 C ILE A 531 5.878 17.384 19.225 1.00 0.00 C ATOM 924 O ILE A 531 5.309 18.247 18.548 1.00 0.00 O ATOM 925 CB ILE A 531 6.359 18.835 21.264 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.830 19.087 20.860 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.150 18.950 22.786 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.351 20.473 21.231 1.00 0.00 C ATOM 0 H ILE A 531 7.581 16.523 21.493 1.00 0.00 H new ATOM 0 HA ILE A 531 4.806 17.350 21.051 1.00 0.00 H new ATOM 0 HB ILE A 531 5.773 19.616 20.779 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.460 18.335 21.335 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.928 18.950 19.783 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.509 19.920 23.130 1.00 0.00 H new ATOM 0 HG22 ILE A 531 5.089 18.854 23.016 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.704 18.158 23.290 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.389 20.568 20.913 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.748 21.233 20.734 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.288 20.608 22.311 1.00 0.00 H new ATOM 940 N LEU A 532 6.533 16.362 18.667 1.00 0.00 N ATOM 941 CA LEU A 532 6.662 16.113 17.228 1.00 0.00 C ATOM 942 C LEU A 532 5.701 14.999 16.777 1.00 0.00 C ATOM 943 O LEU A 532 5.311 14.123 17.555 1.00 0.00 O ATOM 944 CB LEU A 532 8.121 15.721 16.896 1.00 0.00 C ATOM 945 CG LEU A 532 9.202 16.742 17.303 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.590 16.221 16.926 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.998 18.089 16.611 1.00 0.00 C ATOM 0 H LEU A 532 7.008 15.656 19.229 1.00 0.00 H new ATOM 0 HA LEU A 532 6.401 17.026 16.692 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.342 14.772 17.385 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.196 15.551 15.822 1.00 0.00 H new ATOM 0 HG LEU A 532 9.121 16.878 18.381 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.345 16.951 17.219 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.777 15.279 17.441 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.638 16.061 15.849 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.780 18.781 16.924 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.044 17.954 15.530 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.024 18.495 16.884 1.00 0.00 H new ATOM 959 N THR A 533 5.363 15.011 15.488 1.00 0.00 N ATOM 960 CA THR A 533 4.558 13.982 14.807 1.00 0.00 C ATOM 961 C THR A 533 5.055 13.767 13.373 1.00 0.00 C ATOM 962 O THR A 533 5.697 14.665 12.820 1.00 0.00 O ATOM 963 CB THR A 533 3.053 14.345 14.784 1.00 0.00 C ATOM 964 OG1 THR A 533 2.795 15.722 14.609 1.00 0.00 O ATOM 965 CG2 THR A 533 2.352 13.923 16.075 1.00 0.00 C ATOM 0 H THR A 533 5.650 15.763 14.861 1.00 0.00 H new ATOM 0 HA THR A 533 4.676 13.059 15.375 1.00 0.00 H new ATOM 0 HB THR A 533 2.666 13.801 13.923 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.606 16.168 14.287 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.298 14.194 16.022 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.443 12.844 16.203 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.815 14.429 16.922 1.00 0.00 H new ATOM 973 N PRO A 534 4.772 12.611 12.739 1.00 0.00 N ATOM 974 CA PRO A 534 5.128 12.383 11.338 1.00 0.00 C ATOM 975 C PRO A 534 4.415 13.373 10.402 1.00 0.00 C ATOM 976 O PRO A 534 3.397 13.975 10.759 1.00 0.00 O ATOM 977 CB PRO A 534 4.736 10.927 11.049 1.00 0.00 C ATOM 978 CG PRO A 534 3.620 10.647 12.053 1.00 0.00 C ATOM 979 CD PRO A 534 4.053 11.459 13.273 1.00 0.00 C ATOM 0 HA PRO A 534 6.191 12.547 11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.392 10.801 10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.579 10.250 11.188 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.648 10.967 11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.539 9.584 12.282 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.191 11.773 13.862 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.691 10.869 13.931 1.00 0.00 H new ATOM 987 N TYR A 535 4.921 13.494 9.173 1.00 0.00 N ATOM 988 CA TYR A 535 4.349 14.341 8.121 1.00 0.00 C ATOM 989 C TYR A 535 3.984 13.498 6.880 1.00 0.00 C ATOM 990 O TYR A 535 4.711 13.502 5.879 1.00 0.00 O ATOM 991 CB TYR A 535 5.280 15.533 7.840 1.00 0.00 C ATOM 992 CG TYR A 535 4.683 16.593 6.927 1.00 0.00 C ATOM 993 CD1 TYR A 535 3.453 17.202 7.256 1.00 0.00 C ATOM 994 CD2 TYR A 535 5.358 16.978 5.752 1.00 0.00 C ATOM 995 CE1 TYR A 535 2.897 18.180 6.410 1.00 0.00 C ATOM 996 CE2 TYR A 535 4.810 17.964 4.907 1.00 0.00 C ATOM 997 CZ TYR A 535 3.574 18.566 5.234 1.00 0.00 C ATOM 998 OH TYR A 535 3.035 19.516 4.425 1.00 0.00 O ATOM 0 H TYR A 535 5.759 12.995 8.873 1.00 0.00 H new ATOM 0 HA TYR A 535 3.406 14.774 8.455 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.552 15.998 8.788 1.00 0.00 H new ATOM 0 HB3 TYR A 535 6.201 15.161 7.392 1.00 0.00 H new ATOM 0 HD1 TYR A 535 2.936 16.916 8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 535 6.300 16.515 5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 535 1.951 18.636 6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 535 5.334 18.259 4.010 1.00 0.00 H new ATOM 0 HH TYR A 535 3.627 19.667 3.658 1.00 0.00 H new