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 -61:sc= 0.257 USER MOD Single : A 486 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.15) USER MOD Single : A 495 SER OG : rot 180:sc= 0 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=-0.33) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 150:sc= 0.0241 (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=-0.0025) USER MOD Single : A 533 THR OG1 : rot -24:sc= 0.733 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.260 14.487 7.277 1.00 0.00 N ATOM 118 CA TRP A 482 9.739 15.700 7.914 1.00 0.00 C ATOM 119 C TRP A 482 8.875 15.363 9.138 1.00 0.00 C ATOM 120 O TRP A 482 8.309 14.269 9.243 1.00 0.00 O ATOM 121 CB TRP A 482 8.948 16.536 6.899 1.00 0.00 C ATOM 122 CG TRP A 482 9.738 17.009 5.712 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.010 16.269 4.617 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.375 18.303 5.473 1.00 0.00 C ATOM 125 NE1 TRP A 482 10.767 16.998 3.723 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.022 18.265 4.200 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.481 19.504 6.202 1.00 0.00 C ATOM 128 CZ2 TRP A 482 11.730 19.358 3.679 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.171 20.618 5.684 1.00 0.00 C ATOM 130 CH2 TRP A 482 11.798 20.546 4.427 1.00 0.00 C ATOM 0 HA TRP A 482 10.587 16.289 8.265 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.105 15.945 6.543 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.534 17.405 7.411 1.00 0.00 H new ATOM 0 HD1 TRP A 482 9.682 15.252 4.462 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.096 16.644 2.824 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.024 19.572 7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.216 19.288 2.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.219 21.533 6.256 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.330 21.401 4.038 1.00 0.00 H new ATOM 141 N VAL A 483 8.739 16.332 10.043 1.00 0.00 N ATOM 142 CA VAL A 483 7.887 16.279 11.238 1.00 0.00 C ATOM 143 C VAL A 483 7.154 17.607 11.420 1.00 0.00 C ATOM 144 O VAL A 483 7.694 18.680 11.129 1.00 0.00 O ATOM 145 CB VAL A 483 8.673 15.913 12.517 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.091 14.439 12.512 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.910 16.789 12.756 1.00 0.00 C ATOM 0 H VAL A 483 9.241 17.216 9.962 1.00 0.00 H new ATOM 0 HA VAL A 483 7.161 15.482 11.079 1.00 0.00 H new ATOM 0 HB VAL A 483 7.980 16.100 13.337 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.642 14.214 13.425 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.203 13.809 12.459 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.726 14.244 11.648 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.409 16.472 13.672 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.596 16.687 11.915 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.605 17.831 12.851 1.00 0.00 H new ATOM 157 N LEU A 484 5.910 17.534 11.897 1.00 0.00 N ATOM 158 CA LEU A 484 5.094 18.707 12.223 1.00 0.00 C ATOM 159 C LEU A 484 5.054 18.885 13.745 1.00 0.00 C ATOM 160 O LEU A 484 5.061 17.911 14.502 1.00 0.00 O ATOM 161 CB LEU A 484 3.684 18.545 11.616 1.00 0.00 C ATOM 162 CG LEU A 484 2.824 19.829 11.625 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.331 20.884 10.637 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.384 19.489 11.247 1.00 0.00 C ATOM 0 H LEU A 484 5.434 16.648 12.070 1.00 0.00 H new ATOM 0 HA LEU A 484 5.531 19.608 11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.784 18.199 10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.155 17.766 12.165 1.00 0.00 H new ATOM 0 HG LEU A 484 2.886 20.238 12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.691 21.765 10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.352 21.164 10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.311 20.475 9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.782 20.397 11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.364 19.049 10.250 1.00 0.00 H new ATOM 0 HD23 LEU A 484 0.977 18.778 11.966 1.00 0.00 H new ATOM 176 N CYS A 485 5.006 20.129 14.203 1.00 0.00 N ATOM 177 CA CYS A 485 4.946 20.460 15.621 1.00 0.00 C ATOM 178 C CYS A 485 3.483 20.453 16.111 1.00 0.00 C ATOM 179 O CYS A 485 2.686 21.296 15.697 1.00 0.00 O ATOM 180 CB CYS A 485 5.604 21.834 15.770 1.00 0.00 C ATOM 181 SG CYS A 485 6.190 22.077 17.462 1.00 0.00 S ATOM 0 H CYS A 485 5.008 20.947 13.593 1.00 0.00 H new ATOM 0 HA CYS A 485 5.471 19.728 16.235 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.438 21.921 15.074 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.890 22.616 15.511 1.00 0.00 H new ATOM 0 HG CYS A 485 5.181 22.033 18.281 1.00 0.00 H new ATOM 187 N ASN A 486 3.101 19.506 16.974 1.00 0.00 N ATOM 188 CA ASN A 486 1.743 19.433 17.537 1.00 0.00 C ATOM 189 C ASN A 486 1.500 20.498 18.633 1.00 0.00 C ATOM 190 O ASN A 486 0.361 20.915 18.852 1.00 0.00 O ATOM 191 CB ASN A 486 1.509 18.010 18.081 1.00 0.00 C ATOM 192 CG ASN A 486 0.046 17.591 18.164 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.880 18.289 17.768 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.213 16.395 18.647 1.00 0.00 N ATOM 0 H ASN A 486 3.722 18.767 17.304 1.00 0.00 H new ATOM 0 HA ASN A 486 1.026 19.649 16.745 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.040 17.301 17.446 1.00 0.00 H new ATOM 0 HB3 ASN A 486 1.950 17.939 19.075 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -1.175 16.059 18.688 1.00 0.00 H new ATOM 0 HD22 ASN A 486 0.548 15.804 18.980 1.00 0.00 H new ATOM 201 N TYR A 487 2.573 20.958 19.295 1.00 0.00 N ATOM 202 CA TYR A 487 2.544 21.913 20.413 1.00 0.00 C ATOM 203 C TYR A 487 3.804 22.796 20.416 1.00 0.00 C ATOM 204 O TYR A 487 4.923 22.282 20.368 1.00 0.00 O ATOM 205 CB TYR A 487 2.471 21.145 21.746 1.00 0.00 C ATOM 206 CG TYR A 487 1.296 20.192 21.877 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.032 20.675 22.265 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.466 18.825 21.577 1.00 0.00 C ATOM 209 CE1 TYR A 487 -1.065 19.795 22.345 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.371 17.944 21.649 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.899 18.427 22.035 1.00 0.00 C ATOM 212 OH TYR A 487 -1.965 17.584 22.107 1.00 0.00 O ATOM 0 H TYR A 487 3.520 20.664 19.057 1.00 0.00 H new ATOM 0 HA TYR A 487 1.667 22.549 20.294 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.394 20.579 21.872 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.426 21.867 22.561 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -0.097 21.721 22.501 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.439 18.453 21.291 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -2.034 20.167 22.644 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.502 16.899 21.409 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.683 16.678 21.862 1.00 0.00 H new ATOM 222 N ASP A 488 3.633 24.120 20.497 1.00 0.00 N ATOM 223 CA ASP A 488 4.731 25.094 20.613 1.00 0.00 C ATOM 224 C ASP A 488 5.653 24.844 21.830 1.00 0.00 C ATOM 225 O ASP A 488 5.224 24.310 22.861 1.00 0.00 O ATOM 226 CB ASP A 488 4.156 26.518 20.644 1.00 0.00 C ATOM 227 CG ASP A 488 3.349 26.826 21.921 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.220 26.298 22.076 1.00 0.00 O ATOM 229 OD2 ASP A 488 3.814 27.640 22.754 1.00 0.00 O ATOM 0 H ASP A 488 2.711 24.556 20.484 1.00 0.00 H new ATOM 0 HA ASP A 488 5.364 24.969 19.734 1.00 0.00 H new ATOM 0 HB2 ASP A 488 4.974 27.234 20.559 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.515 26.662 19.775 1.00 0.00 H new ATOM 234 N PHE A 489 6.925 25.246 21.718 1.00 0.00 N ATOM 235 CA PHE A 489 7.970 24.979 22.714 1.00 0.00 C ATOM 236 C PHE A 489 9.072 26.042 22.648 1.00 0.00 C ATOM 237 O PHE A 489 9.550 26.392 21.566 1.00 0.00 O ATOM 238 CB PHE A 489 8.544 23.578 22.449 1.00 0.00 C ATOM 239 CG PHE A 489 9.662 23.125 23.368 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.358 22.578 24.629 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.005 23.193 22.944 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.389 22.124 25.472 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.034 22.724 23.780 1.00 0.00 C ATOM 244 CZ PHE A 489 11.727 22.196 25.048 1.00 0.00 C ATOM 0 H PHE A 489 7.264 25.777 20.916 1.00 0.00 H new ATOM 0 HA PHE A 489 7.543 25.019 23.716 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.730 22.856 22.519 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.911 23.547 21.423 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.329 22.507 24.951 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.244 23.606 21.975 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.152 21.720 26.445 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.061 22.769 23.449 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.519 21.847 25.694 1.00 0.00 H new ATOM 254 N GLN A 490 9.498 26.541 23.811 1.00 0.00 N ATOM 255 CA GLN A 490 10.442 27.652 23.956 1.00 0.00 C ATOM 256 C GLN A 490 11.651 27.192 24.784 1.00 0.00 C ATOM 257 O GLN A 490 11.532 26.871 25.971 1.00 0.00 O ATOM 258 CB GLN A 490 9.729 28.871 24.577 1.00 0.00 C ATOM 259 CG GLN A 490 9.132 29.835 23.534 1.00 0.00 C ATOM 260 CD GLN A 490 8.078 29.190 22.634 1.00 0.00 C ATOM 261 OE1 GLN A 490 7.133 28.556 23.085 1.00 0.00 O ATOM 262 NE2 GLN A 490 8.203 29.306 21.327 1.00 0.00 N ATOM 0 H GLN A 490 9.185 26.170 24.708 1.00 0.00 H new ATOM 0 HA GLN A 490 10.812 27.962 22.979 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.932 28.520 25.233 1.00 0.00 H new ATOM 0 HB3 GLN A 490 10.437 29.417 25.200 1.00 0.00 H new ATOM 0 HG2 GLN A 490 8.685 30.684 24.051 1.00 0.00 H new ATOM 0 HG3 GLN A 490 9.937 30.228 22.912 1.00 0.00 H new ATOM 0 HE21 GLN A 490 8.984 29.831 20.934 1.00 0.00 H new ATOM 0 HE22 GLN A 490 7.518 28.871 20.709 1.00 0.00 H new ATOM 271 N ALA A 491 12.813 27.147 24.125 1.00 0.00 N ATOM 272 CA ALA A 491 14.043 26.538 24.631 1.00 0.00 C ATOM 273 C ALA A 491 15.125 27.608 24.884 1.00 0.00 C ATOM 274 O ALA A 491 15.371 27.975 26.036 1.00 0.00 O ATOM 275 CB ALA A 491 14.461 25.445 23.632 1.00 0.00 C ATOM 0 H ALA A 491 12.925 27.547 23.194 1.00 0.00 H new ATOM 0 HA ALA A 491 13.888 26.071 25.603 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.378 24.967 23.978 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.670 24.699 23.556 1.00 0.00 H new ATOM 0 HB3 ALA A 491 14.632 25.893 22.653 1.00 0.00 H new ATOM 330 N SER A 495 21.951 24.393 23.198 1.00 0.00 N ATOM 331 CA SER A 495 21.915 23.500 22.016 1.00 0.00 C ATOM 332 C SER A 495 20.475 23.092 21.633 1.00 0.00 C ATOM 333 O SER A 495 20.233 22.201 20.816 1.00 0.00 O ATOM 334 CB SER A 495 22.814 22.281 22.282 1.00 0.00 C ATOM 335 OG SER A 495 23.307 21.726 21.074 1.00 0.00 O ATOM 0 HA SER A 495 22.301 24.042 21.153 1.00 0.00 H new ATOM 0 HB2 SER A 495 23.650 22.576 22.916 1.00 0.00 H new ATOM 0 HB3 SER A 495 22.251 21.524 22.828 1.00 0.00 H new ATOM 0 HG SER A 495 23.876 20.954 21.277 1.00 0.00 H new ATOM 341 N GLU A 496 19.492 23.774 22.227 1.00 0.00 N ATOM 342 CA GLU A 496 18.056 23.631 21.965 1.00 0.00 C ATOM 343 C GLU A 496 17.555 24.821 21.127 1.00 0.00 C ATOM 344 O GLU A 496 18.194 25.879 21.093 1.00 0.00 O ATOM 345 CB GLU A 496 17.290 23.590 23.298 1.00 0.00 C ATOM 346 CG GLU A 496 17.710 22.453 24.230 1.00 0.00 C ATOM 347 CD GLU A 496 16.934 22.466 25.560 1.00 0.00 C ATOM 348 OE1 GLU A 496 15.689 22.302 25.556 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.582 22.631 26.624 1.00 0.00 O ATOM 0 H GLU A 496 19.685 24.477 22.940 1.00 0.00 H new ATOM 0 HA GLU A 496 17.885 22.705 21.415 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.432 24.539 23.815 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.224 23.498 23.089 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.550 21.498 23.729 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.778 22.531 24.435 1.00 0.00 H new ATOM 356 N LEU A 497 16.396 24.675 20.477 1.00 0.00 N ATOM 357 CA LEU A 497 15.834 25.700 19.590 1.00 0.00 C ATOM 358 C LEU A 497 14.298 25.748 19.684 1.00 0.00 C ATOM 359 O LEU A 497 13.631 24.711 19.684 1.00 0.00 O ATOM 360 CB LEU A 497 16.352 25.417 18.166 1.00 0.00 C ATOM 361 CG LEU A 497 16.064 26.571 17.187 1.00 0.00 C ATOM 362 CD1 LEU A 497 17.297 26.895 16.348 1.00 0.00 C ATOM 363 CD2 LEU A 497 14.904 26.222 16.260 1.00 0.00 C ATOM 0 H LEU A 497 15.818 23.838 20.551 1.00 0.00 H new ATOM 0 HA LEU A 497 16.160 26.695 19.892 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.427 25.238 18.204 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.890 24.504 17.791 1.00 0.00 H new ATOM 0 HG LEU A 497 15.797 27.444 17.782 1.00 0.00 H new ATOM 0 HD11 LEU A 497 17.068 27.713 15.665 1.00 0.00 H new ATOM 0 HD12 LEU A 497 18.116 27.189 17.004 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.589 26.015 15.775 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.720 27.053 15.579 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.153 25.330 15.686 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.009 26.034 16.853 1.00 0.00 H new ATOM 375 N SER A 498 13.743 26.958 19.804 1.00 0.00 N ATOM 376 CA SER A 498 12.297 27.197 19.934 1.00 0.00 C ATOM 377 C SER A 498 11.522 26.920 18.636 1.00 0.00 C ATOM 378 O SER A 498 11.987 27.219 17.532 1.00 0.00 O ATOM 379 CB SER A 498 12.034 28.637 20.404 1.00 0.00 C ATOM 380 OG SER A 498 12.707 29.591 19.598 1.00 0.00 O ATOM 0 H SER A 498 14.294 27.816 19.814 1.00 0.00 H new ATOM 0 HA SER A 498 11.932 26.491 20.680 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.962 28.835 20.382 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.357 28.745 21.439 1.00 0.00 H new ATOM 0 HG SER A 498 12.513 30.493 19.928 1.00 0.00 H new ATOM 386 N VAL A 499 10.308 26.377 18.771 1.00 0.00 N ATOM 387 CA VAL A 499 9.449 25.929 17.656 1.00 0.00 C ATOM 388 C VAL A 499 7.979 26.318 17.876 1.00 0.00 C ATOM 389 O VAL A 499 7.549 26.592 19.003 1.00 0.00 O ATOM 390 CB VAL A 499 9.591 24.407 17.402 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.994 24.035 16.906 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.291 23.549 18.638 1.00 0.00 C ATOM 0 H VAL A 499 9.878 26.230 19.684 1.00 0.00 H new ATOM 0 HA VAL A 499 9.794 26.448 16.762 1.00 0.00 H new ATOM 0 HB VAL A 499 8.846 24.193 16.635 1.00 0.00 H new ATOM 0 HG11 VAL A 499 11.048 22.959 16.741 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.199 24.556 15.971 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.733 24.325 17.653 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.410 22.495 18.387 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.982 23.811 19.439 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.268 23.730 18.967 1.00 0.00 H new ATOM 402 N LYS A 500 7.200 26.345 16.788 1.00 0.00 N ATOM 403 CA LYS A 500 5.795 26.800 16.747 1.00 0.00 C ATOM 404 C LYS A 500 4.888 25.702 16.192 1.00 0.00 C ATOM 405 O LYS A 500 5.308 24.900 15.366 1.00 0.00 O ATOM 406 CB LYS A 500 5.663 28.044 15.842 1.00 0.00 C ATOM 407 CG LYS A 500 6.548 29.259 16.170 1.00 0.00 C ATOM 408 CD LYS A 500 5.931 30.270 17.147 1.00 0.00 C ATOM 409 CE LYS A 500 5.934 29.774 18.597 1.00 0.00 C ATOM 410 NZ LYS A 500 5.405 30.816 19.519 1.00 0.00 N ATOM 0 H LYS A 500 7.538 26.040 15.875 1.00 0.00 H new ATOM 0 HA LYS A 500 5.494 27.044 17.766 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.877 27.739 14.818 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.623 28.369 15.867 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.489 28.901 16.588 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.788 29.775 15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 500 6.483 31.208 17.088 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.906 30.483 16.843 1.00 0.00 H new ATOM 0 HE2 LYS A 500 5.329 28.871 18.677 1.00 0.00 H new ATOM 0 HE3 LYS A 500 6.949 29.505 18.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 5.418 30.455 20.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 5.998 31.668 19.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 4.429 31.054 19.251 1.00 0.00 H new ATOM 424 N GLN A 501 3.611 25.736 16.566 1.00 0.00 N ATOM 425 CA GLN A 501 2.592 24.739 16.178 1.00 0.00 C ATOM 426 C GLN A 501 2.268 24.710 14.660 1.00 0.00 C ATOM 427 O GLN A 501 1.599 23.795 14.175 1.00 0.00 O ATOM 428 CB GLN A 501 1.346 24.986 17.048 1.00 0.00 C ATOM 429 CG GLN A 501 0.310 23.852 16.980 1.00 0.00 C ATOM 430 CD GLN A 501 -0.822 23.998 17.999 1.00 0.00 C ATOM 431 OE1 GLN A 501 -0.646 24.439 19.130 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.041 23.650 17.636 1.00 0.00 N ATOM 0 H GLN A 501 3.237 26.474 17.163 1.00 0.00 H new ATOM 0 HA GLN A 501 2.993 23.742 16.361 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.658 25.120 18.084 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.874 25.917 16.735 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.116 23.820 15.977 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.814 22.900 17.143 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.209 23.281 16.700 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -2.816 23.750 18.291 1.00 0.00 H new ATOM 441 N ARG A 502 2.762 25.692 13.890 1.00 0.00 N ATOM 442 CA ARG A 502 2.545 25.834 12.434 1.00 0.00 C ATOM 443 C ARG A 502 3.864 25.895 11.646 1.00 0.00 C ATOM 444 O ARG A 502 3.918 26.431 10.538 1.00 0.00 O ATOM 445 CB ARG A 502 1.639 27.051 12.158 1.00 0.00 C ATOM 446 CG ARG A 502 0.331 27.039 12.973 1.00 0.00 C ATOM 447 CD ARG A 502 -0.683 28.074 12.469 1.00 0.00 C ATOM 448 NE ARG A 502 -0.145 29.451 12.494 1.00 0.00 N ATOM 449 CZ ARG A 502 -0.624 30.493 11.837 1.00 0.00 C ATOM 450 NH1 ARG A 502 -1.715 30.426 11.123 1.00 0.00 N ATOM 451 NH2 ARG A 502 -0.009 31.641 11.883 1.00 0.00 N ATOM 0 H ARG A 502 3.344 26.437 14.273 1.00 0.00 H new ATOM 0 HA ARG A 502 2.036 24.939 12.076 1.00 0.00 H new ATOM 0 HB2 ARG A 502 2.191 27.964 12.384 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.396 27.080 11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.114 26.045 12.925 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.557 27.237 14.021 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -0.980 27.822 11.451 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -1.582 28.027 13.084 1.00 0.00 H new ATOM 0 HE ARG A 502 0.677 29.613 13.076 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.229 29.547 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -2.053 31.252 10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 502 0.847 31.739 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -0.384 32.441 11.374 1.00 0.00 H new ATOM 465 N ASP A 503 4.934 25.353 12.230 1.00 0.00 N ATOM 466 CA ASP A 503 6.306 25.401 11.720 1.00 0.00 C ATOM 467 C ASP A 503 6.806 23.984 11.384 1.00 0.00 C ATOM 468 O ASP A 503 7.032 23.155 12.269 1.00 0.00 O ATOM 469 CB ASP A 503 7.177 26.122 12.759 1.00 0.00 C ATOM 470 CG ASP A 503 8.648 26.260 12.351 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.928 26.353 11.136 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.510 26.343 13.259 1.00 0.00 O ATOM 0 H ASP A 503 4.865 24.845 13.112 1.00 0.00 H new ATOM 0 HA ASP A 503 6.358 25.961 10.786 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.765 27.115 12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.122 25.580 13.703 1.00 0.00 H new ATOM 477 N VAL A 504 6.909 23.691 10.083 1.00 0.00 N ATOM 478 CA VAL A 504 7.412 22.424 9.520 1.00 0.00 C ATOM 479 C VAL A 504 8.935 22.281 9.696 1.00 0.00 C ATOM 480 O VAL A 504 9.687 23.233 9.471 1.00 0.00 O ATOM 481 CB VAL A 504 6.986 22.302 8.039 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.367 23.497 7.151 1.00 0.00 C ATOM 483 CG2 VAL A 504 7.553 21.043 7.382 1.00 0.00 C ATOM 0 H VAL A 504 6.634 24.355 9.360 1.00 0.00 H new ATOM 0 HA VAL A 504 6.965 21.599 10.075 1.00 0.00 H new ATOM 0 HB VAL A 504 5.898 22.262 8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.025 23.316 6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.896 24.401 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.450 23.622 7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.229 20.998 6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.642 21.071 7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 504 7.193 20.162 7.913 1.00 0.00 H new ATOM 493 N LEU A 505 9.395 21.082 10.074 1.00 0.00 N ATOM 494 CA LEU A 505 10.789 20.781 10.434 1.00 0.00 C ATOM 495 C LEU A 505 11.250 19.467 9.774 1.00 0.00 C ATOM 496 O LEU A 505 10.437 18.579 9.512 1.00 0.00 O ATOM 497 CB LEU A 505 10.901 20.667 11.972 1.00 0.00 C ATOM 498 CG LEU A 505 10.341 21.849 12.792 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.257 21.500 14.277 1.00 0.00 C ATOM 500 CD2 LEU A 505 11.195 23.107 12.649 1.00 0.00 C ATOM 0 H LEU A 505 8.787 20.266 10.140 1.00 0.00 H new ATOM 0 HA LEU A 505 11.431 21.585 10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.385 19.759 12.285 1.00 0.00 H new ATOM 0 HB3 LEU A 505 11.953 20.541 12.229 1.00 0.00 H new ATOM 0 HG LEU A 505 9.346 22.045 12.393 1.00 0.00 H new ATOM 0 HD11 LEU A 505 9.859 22.352 14.829 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.600 20.641 14.412 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.252 21.258 14.651 1.00 0.00 H new ATOM 0 HD21 LEU A 505 10.761 23.911 13.244 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.207 22.902 12.999 1.00 0.00 H new ATOM 0 HD23 LEU A 505 11.228 23.408 11.602 1.00 0.00 H new ATOM 512 N GLU A 506 12.554 19.306 9.539 1.00 0.00 N ATOM 513 CA GLU A 506 13.130 18.127 8.860 1.00 0.00 C ATOM 514 C GLU A 506 14.135 17.415 9.775 1.00 0.00 C ATOM 515 O GLU A 506 15.065 18.044 10.287 1.00 0.00 O ATOM 516 CB GLU A 506 13.743 18.570 7.520 1.00 0.00 C ATOM 517 CG GLU A 506 14.014 17.429 6.524 1.00 0.00 C ATOM 518 CD GLU A 506 15.460 16.888 6.531 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.428 17.680 6.641 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.632 15.661 6.334 1.00 0.00 O ATOM 0 H GLU A 506 13.254 19.995 9.815 1.00 0.00 H new ATOM 0 HA GLU A 506 12.351 17.397 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.073 19.291 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 506 14.680 19.089 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 506 13.333 16.606 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 506 13.778 17.780 5.519 1.00 0.00 H new ATOM 527 N VAL A 507 13.911 16.121 10.040 1.00 0.00 N ATOM 528 CA VAL A 507 14.694 15.333 11.009 1.00 0.00 C ATOM 529 C VAL A 507 16.050 14.933 10.428 1.00 0.00 C ATOM 530 O VAL A 507 16.137 14.352 9.345 1.00 0.00 O ATOM 531 CB VAL A 507 13.937 14.069 11.465 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.707 13.297 12.546 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.570 14.424 12.058 1.00 0.00 C ATOM 0 H VAL A 507 13.174 15.584 9.584 1.00 0.00 H new ATOM 0 HA VAL A 507 14.852 15.973 11.877 1.00 0.00 H new ATOM 0 HB VAL A 507 13.825 13.454 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 507 14.138 12.414 12.838 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.676 12.990 12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.854 13.938 13.415 1.00 0.00 H new ATOM 0 HG21 VAL A 507 12.061 13.512 12.370 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.706 15.077 12.920 1.00 0.00 H new ATOM 0 HG23 VAL A 507 11.969 14.936 11.306 1.00 0.00 H new ATOM 543 N LEU A 508 17.107 15.201 11.196 1.00 0.00 N ATOM 544 CA LEU A 508 18.502 14.928 10.844 1.00 0.00 C ATOM 545 C LEU A 508 19.096 13.770 11.662 1.00 0.00 C ATOM 546 O LEU A 508 19.946 13.032 11.159 1.00 0.00 O ATOM 547 CB LEU A 508 19.316 16.202 11.110 1.00 0.00 C ATOM 548 CG LEU A 508 18.933 17.408 10.236 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.590 18.650 10.833 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.405 17.239 8.792 1.00 0.00 C ATOM 0 H LEU A 508 17.012 15.631 12.116 1.00 0.00 H new ATOM 0 HA LEU A 508 18.542 14.636 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.199 16.479 12.158 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.372 15.980 10.955 1.00 0.00 H new ATOM 0 HG LEU A 508 17.847 17.497 10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.334 19.522 10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.233 18.796 11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.672 18.520 10.842 1.00 0.00 H new ATOM 0 HD21 LEU A 508 19.114 18.113 8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.490 17.136 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.948 16.348 8.362 1.00 0.00 H new ATOM 562 N ASP A 509 18.646 13.601 12.910 1.00 0.00 N ATOM 563 CA ASP A 509 19.082 12.536 13.817 1.00 0.00 C ATOM 564 C ASP A 509 17.960 12.169 14.809 1.00 0.00 C ATOM 565 O ASP A 509 17.254 13.045 15.319 1.00 0.00 O ATOM 566 CB ASP A 509 20.350 12.993 14.562 1.00 0.00 C ATOM 567 CG ASP A 509 21.100 11.808 15.193 1.00 0.00 C ATOM 568 OD1 ASP A 509 20.630 11.260 16.219 1.00 0.00 O ATOM 569 OD2 ASP A 509 22.166 11.417 14.657 1.00 0.00 O ATOM 0 H ASP A 509 17.950 14.218 13.327 1.00 0.00 H new ATOM 0 HA ASP A 509 19.312 11.641 13.238 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.011 13.514 13.869 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.077 13.706 15.340 1.00 0.00 H new ATOM 574 N ASP A 510 17.807 10.872 15.082 1.00 0.00 N ATOM 575 CA ASP A 510 16.731 10.285 15.899 1.00 0.00 C ATOM 576 C ASP A 510 17.243 9.176 16.856 1.00 0.00 C ATOM 577 O ASP A 510 16.476 8.328 17.323 1.00 0.00 O ATOM 578 CB ASP A 510 15.597 9.815 14.966 1.00 0.00 C ATOM 579 CG ASP A 510 16.066 8.848 13.861 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.404 7.679 14.162 1.00 0.00 O ATOM 581 OD2 ASP A 510 16.084 9.248 12.670 1.00 0.00 O ATOM 0 H ASP A 510 18.454 10.168 14.727 1.00 0.00 H new ATOM 0 HA ASP A 510 16.332 11.048 16.567 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.827 9.326 15.562 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.135 10.687 14.502 1.00 0.00 H new ATOM 586 N SER A 511 18.551 9.174 17.159 1.00 0.00 N ATOM 587 CA SER A 511 19.239 8.151 17.973 1.00 0.00 C ATOM 588 C SER A 511 18.745 8.035 19.430 1.00 0.00 C ATOM 589 O SER A 511 18.919 6.982 20.054 1.00 0.00 O ATOM 590 CB SER A 511 20.747 8.448 17.967 1.00 0.00 C ATOM 591 OG SER A 511 21.508 7.369 18.493 1.00 0.00 O ATOM 0 H SER A 511 19.182 9.907 16.835 1.00 0.00 H new ATOM 0 HA SER A 511 19.008 7.191 17.512 1.00 0.00 H new ATOM 0 HB2 SER A 511 21.071 8.656 16.947 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.941 9.347 18.552 1.00 0.00 H new ATOM 0 HG SER A 511 22.460 7.598 18.470 1.00 0.00 H new ATOM 597 N ARG A 512 18.148 9.099 19.987 1.00 0.00 N ATOM 598 CA ARG A 512 17.641 9.216 21.372 1.00 0.00 C ATOM 599 C ARG A 512 16.299 9.972 21.393 1.00 0.00 C ATOM 600 O ARG A 512 15.830 10.399 20.339 1.00 0.00 O ATOM 601 CB ARG A 512 18.689 9.943 22.241 1.00 0.00 C ATOM 602 CG ARG A 512 20.081 9.287 22.239 1.00 0.00 C ATOM 603 CD ARG A 512 20.997 9.960 23.268 1.00 0.00 C ATOM 604 NE ARG A 512 22.398 9.516 23.120 1.00 0.00 N ATOM 605 CZ ARG A 512 23.410 9.829 23.914 1.00 0.00 C ATOM 606 NH1 ARG A 512 23.251 10.540 24.996 1.00 0.00 N ATOM 607 NH2 ARG A 512 24.617 9.429 23.629 1.00 0.00 N ATOM 0 H ARG A 512 17.995 9.955 19.455 1.00 0.00 H new ATOM 0 HA ARG A 512 17.471 8.219 21.778 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.784 10.971 21.890 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.324 9.989 23.267 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.989 8.225 22.466 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.523 9.363 21.246 1.00 0.00 H new ATOM 0 HD2 ARG A 512 20.943 11.042 23.151 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.646 9.730 24.274 1.00 0.00 H new ATOM 0 HE ARG A 512 22.606 8.908 22.328 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.323 10.875 25.255 1.00 0.00 H new ATOM 0 HH12 ARG A 512 24.055 10.761 25.583 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.785 8.872 22.791 1.00 0.00 H new ATOM 0 HH22 ARG A 512 25.394 9.673 24.244 1.00 0.00 H new ATOM 621 N LYS A 513 15.691 10.190 22.570 1.00 0.00 N ATOM 622 CA LYS A 513 14.458 11.004 22.736 1.00 0.00 C ATOM 623 C LYS A 513 14.578 12.421 22.150 1.00 0.00 C ATOM 624 O LYS A 513 13.631 12.931 21.549 1.00 0.00 O ATOM 625 CB LYS A 513 14.064 11.045 24.230 1.00 0.00 C ATOM 626 CG LYS A 513 12.971 12.087 24.538 1.00 0.00 C ATOM 627 CD LYS A 513 12.430 11.981 25.967 1.00 0.00 C ATOM 628 CE LYS A 513 11.456 13.142 26.213 1.00 0.00 C ATOM 629 NZ LYS A 513 10.803 13.043 27.545 1.00 0.00 N ATOM 0 H LYS A 513 16.039 9.805 23.448 1.00 0.00 H new ATOM 0 HA LYS A 513 13.668 10.519 22.162 1.00 0.00 H new ATOM 0 HB2 LYS A 513 13.714 10.059 24.535 1.00 0.00 H new ATOM 0 HB3 LYS A 513 14.948 11.267 24.827 1.00 0.00 H new ATOM 0 HG2 LYS A 513 13.375 13.087 24.382 1.00 0.00 H new ATOM 0 HG3 LYS A 513 12.149 11.962 23.834 1.00 0.00 H new ATOM 0 HD2 LYS A 513 11.923 11.026 26.109 1.00 0.00 H new ATOM 0 HD3 LYS A 513 13.250 12.017 26.685 1.00 0.00 H new ATOM 0 HE2 LYS A 513 11.993 14.088 26.141 1.00 0.00 H new ATOM 0 HE3 LYS A 513 10.694 13.148 25.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 10.153 13.845 27.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 10.270 12.152 27.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 11.529 13.063 28.290 1.00 0.00 H new ATOM 643 N TRP A 514 15.733 13.058 22.333 1.00 0.00 N ATOM 644 CA TRP A 514 16.027 14.388 21.801 1.00 0.00 C ATOM 645 C TRP A 514 16.416 14.299 20.319 1.00 0.00 C ATOM 646 O TRP A 514 17.593 14.164 19.973 1.00 0.00 O ATOM 647 CB TRP A 514 17.094 15.069 22.662 1.00 0.00 C ATOM 648 CG TRP A 514 16.623 15.410 24.045 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.713 14.617 25.138 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.942 16.623 24.489 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.124 15.248 26.219 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.622 16.485 25.874 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.565 17.829 23.860 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.946 17.483 26.590 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.901 18.845 24.573 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.582 18.672 25.932 1.00 0.00 C ATOM 0 H TRP A 514 16.505 12.657 22.865 1.00 0.00 H new ATOM 0 HA TRP A 514 15.134 15.011 21.848 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.963 14.414 22.734 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.423 15.981 22.164 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.174 13.641 25.163 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.068 14.848 27.155 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.790 17.975 22.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.708 17.341 27.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.634 19.764 24.073 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.059 19.450 26.469 1.00 0.00 H new ATOM 667 N TRP A 515 15.411 14.328 19.443 1.00 0.00 N ATOM 668 CA TRP A 515 15.603 14.388 17.992 1.00 0.00 C ATOM 669 C TRP A 515 16.249 15.721 17.598 1.00 0.00 C ATOM 670 O TRP A 515 15.967 16.769 18.193 1.00 0.00 O ATOM 671 CB TRP A 515 14.260 14.180 17.265 1.00 0.00 C ATOM 672 CG TRP A 515 13.713 12.777 17.258 1.00 0.00 C ATOM 673 CD1 TRP A 515 14.030 11.803 18.141 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.774 12.150 16.324 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.388 10.628 17.819 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.604 10.780 16.699 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.051 12.591 15.194 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.790 9.891 15.981 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.228 11.707 14.466 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.102 10.360 14.850 1.00 0.00 C ATOM 0 H TRP A 515 14.430 14.310 19.723 1.00 0.00 H new ATOM 0 HA TRP A 515 16.275 13.585 17.689 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.518 14.834 17.724 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.377 14.506 16.232 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.695 11.929 18.983 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.482 9.758 18.343 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.130 13.622 14.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.694 8.862 16.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.688 12.069 13.603 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.479 9.689 14.278 1.00 0.00 H new ATOM 691 N LYS A 516 17.104 15.686 16.572 1.00 0.00 N ATOM 692 CA LYS A 516 17.718 16.877 15.974 1.00 0.00 C ATOM 693 C LYS A 516 16.989 17.210 14.679 1.00 0.00 C ATOM 694 O LYS A 516 16.825 16.343 13.817 1.00 0.00 O ATOM 695 CB LYS A 516 19.215 16.639 15.722 1.00 0.00 C ATOM 696 CG LYS A 516 19.951 17.980 15.557 1.00 0.00 C ATOM 697 CD LYS A 516 21.425 17.808 15.169 1.00 0.00 C ATOM 698 CE LYS A 516 21.575 17.337 13.717 1.00 0.00 C ATOM 699 NZ LYS A 516 23.001 17.310 13.297 1.00 0.00 N ATOM 0 H LYS A 516 17.394 14.816 16.126 1.00 0.00 H new ATOM 0 HA LYS A 516 17.631 17.721 16.659 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.646 16.080 16.553 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.348 16.032 14.827 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.447 18.574 14.795 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.889 18.540 16.490 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.950 18.754 15.301 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.896 17.087 15.837 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.144 16.341 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.013 18.000 13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.139 16.566 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 23.261 18.231 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.602 17.114 14.123 1.00 0.00 H new ATOM 713 N VAL A 517 16.575 18.464 14.536 1.00 0.00 N ATOM 714 CA VAL A 517 15.791 18.937 13.385 1.00 0.00 C ATOM 715 C VAL A 517 16.312 20.275 12.858 1.00 0.00 C ATOM 716 O VAL A 517 17.020 21.002 13.563 1.00 0.00 O ATOM 717 CB VAL A 517 14.289 19.039 13.723 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.700 17.729 14.263 1.00 0.00 C ATOM 719 CG2 VAL A 517 13.970 20.145 14.737 1.00 0.00 C ATOM 0 H VAL A 517 16.773 19.194 15.220 1.00 0.00 H new ATOM 0 HA VAL A 517 15.911 18.194 12.597 1.00 0.00 H new ATOM 0 HB VAL A 517 13.828 19.279 12.765 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.641 17.869 14.481 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.816 16.943 13.517 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.224 17.444 15.175 1.00 0.00 H new ATOM 0 HG21 VAL A 517 12.897 20.163 14.931 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.503 19.950 15.667 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.282 21.109 14.335 1.00 0.00 H new ATOM 729 N ARG A 518 15.922 20.609 11.623 1.00 0.00 N ATOM 730 CA ARG A 518 16.274 21.859 10.937 1.00 0.00 C ATOM 731 C ARG A 518 15.031 22.706 10.668 1.00 0.00 C ATOM 732 O ARG A 518 14.126 22.306 9.934 1.00 0.00 O ATOM 733 CB ARG A 518 17.063 21.519 9.667 1.00 0.00 C ATOM 734 CG ARG A 518 17.470 22.741 8.828 1.00 0.00 C ATOM 735 CD ARG A 518 18.859 22.561 8.205 1.00 0.00 C ATOM 736 NE ARG A 518 18.959 21.337 7.384 1.00 0.00 N ATOM 737 CZ ARG A 518 20.023 20.922 6.718 1.00 0.00 C ATOM 738 NH1 ARG A 518 21.151 21.577 6.732 1.00 0.00 N ATOM 739 NH2 ARG A 518 19.971 19.828 6.014 1.00 0.00 N ATOM 0 H ARG A 518 15.334 19.999 11.055 1.00 0.00 H new ATOM 0 HA ARG A 518 16.912 22.473 11.573 1.00 0.00 H new ATOM 0 HB2 ARG A 518 17.962 20.970 9.948 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.463 20.852 9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 518 16.735 22.903 8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 518 17.465 23.632 9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.091 23.428 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.607 22.525 8.997 1.00 0.00 H new ATOM 0 HE ARG A 518 18.124 20.754 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 518 21.233 22.440 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 518 21.951 21.226 6.206 1.00 0.00 H new ATOM 0 HH21 ARG A 518 19.107 19.287 5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 518 20.794 19.512 5.502 1.00 0.00 H new ATOM 753 N ASP A 519 15.001 23.869 11.308 1.00 0.00 N ATOM 754 CA ASP A 519 14.027 24.946 11.109 1.00 0.00 C ATOM 755 C ASP A 519 14.210 25.681 9.757 1.00 0.00 C ATOM 756 O ASP A 519 15.295 25.632 9.162 1.00 0.00 O ATOM 757 CB ASP A 519 14.167 25.922 12.288 1.00 0.00 C ATOM 758 CG ASP A 519 15.616 26.397 12.439 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.010 27.361 11.741 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.347 25.763 13.234 1.00 0.00 O ATOM 0 H ASP A 519 15.693 24.103 12.020 1.00 0.00 H new ATOM 0 HA ASP A 519 13.026 24.517 11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.513 26.781 12.134 1.00 0.00 H new ATOM 0 HB3 ASP A 519 13.842 25.436 13.208 1.00 0.00 H new ATOM 765 N PRO A 520 13.178 26.393 9.258 1.00 0.00 N ATOM 766 CA PRO A 520 13.232 27.101 7.974 1.00 0.00 C ATOM 767 C PRO A 520 14.092 28.380 7.979 1.00 0.00 C ATOM 768 O PRO A 520 14.380 28.917 6.905 1.00 0.00 O ATOM 769 CB PRO A 520 11.773 27.418 7.633 1.00 0.00 C ATOM 770 CG PRO A 520 11.116 27.555 9.000 1.00 0.00 C ATOM 771 CD PRO A 520 11.834 26.481 9.814 1.00 0.00 C ATOM 0 HA PRO A 520 13.721 26.472 7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 520 11.686 28.336 7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.315 26.623 7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.259 28.550 9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.041 27.380 8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 520 11.865 26.747 10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.317 25.524 9.741 1.00 0.00 H new ATOM 779 N ALA A 521 14.527 28.872 9.147 1.00 0.00 N ATOM 780 CA ALA A 521 15.481 29.985 9.243 1.00 0.00 C ATOM 781 C ALA A 521 16.915 29.565 8.852 1.00 0.00 C ATOM 782 O ALA A 521 17.750 30.423 8.547 1.00 0.00 O ATOM 783 CB ALA A 521 15.450 30.572 10.662 1.00 0.00 C ATOM 0 H ALA A 521 14.227 28.509 10.052 1.00 0.00 H new ATOM 0 HA ALA A 521 15.175 30.749 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.159 31.397 10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.447 30.936 10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 521 15.723 29.800 11.381 1.00 0.00 H new ATOM 789 N GLY A 522 17.199 28.255 8.842 1.00 0.00 N ATOM 790 CA GLY A 522 18.470 27.670 8.411 1.00 0.00 C ATOM 791 C GLY A 522 19.372 27.214 9.565 1.00 0.00 C ATOM 792 O GLY A 522 20.565 26.979 9.345 1.00 0.00 O ATOM 0 H GLY A 522 16.525 27.552 9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.264 26.816 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.009 28.402 7.810 1.00 0.00 H new ATOM 796 N GLN A 523 18.832 27.111 10.783 1.00 0.00 N ATOM 797 CA GLN A 523 19.559 26.692 11.987 1.00 0.00 C ATOM 798 C GLN A 523 19.257 25.212 12.333 1.00 0.00 C ATOM 799 O GLN A 523 18.591 24.502 11.574 1.00 0.00 O ATOM 800 CB GLN A 523 19.245 27.654 13.157 1.00 0.00 C ATOM 801 CG GLN A 523 19.216 29.147 12.776 1.00 0.00 C ATOM 802 CD GLN A 523 19.243 30.056 14.005 1.00 0.00 C ATOM 803 OE1 GLN A 523 18.297 30.145 14.779 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.324 30.776 14.238 1.00 0.00 N ATOM 0 H GLN A 523 17.851 27.322 10.965 1.00 0.00 H new ATOM 0 HA GLN A 523 20.631 26.749 11.796 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.279 27.383 13.582 1.00 0.00 H new ATOM 0 HB3 GLN A 523 19.990 27.507 13.939 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.071 29.375 12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.319 29.354 12.192 1.00 0.00 H new ATOM 0 HE21 GLN A 523 21.122 30.716 13.606 1.00 0.00 H new ATOM 0 HE22 GLN A 523 20.361 31.392 15.050 1.00 0.00 H new ATOM 813 N GLU A 524 19.776 24.723 13.464 1.00 0.00 N ATOM 814 CA GLU A 524 19.493 23.380 14.002 1.00 0.00 C ATOM 815 C GLU A 524 19.422 23.414 15.541 1.00 0.00 C ATOM 816 O GLU A 524 20.075 24.241 16.190 1.00 0.00 O ATOM 817 CB GLU A 524 20.590 22.379 13.587 1.00 0.00 C ATOM 818 CG GLU A 524 20.629 22.010 12.096 1.00 0.00 C ATOM 819 CD GLU A 524 21.853 21.137 11.739 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.324 20.327 12.576 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.367 21.262 10.599 1.00 0.00 O ATOM 0 H GLU A 524 20.419 25.259 14.047 1.00 0.00 H new ATOM 0 HA GLU A 524 18.534 23.062 13.594 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.559 22.795 13.864 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.458 21.464 14.165 1.00 0.00 H new ATOM 0 HG2 GLU A 524 19.716 21.476 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 524 20.649 22.922 11.499 1.00 0.00 H new ATOM 828 N GLY A 525 18.679 22.478 16.137 1.00 0.00 N ATOM 829 CA GLY A 525 18.653 22.262 17.587 1.00 0.00 C ATOM 830 C GLY A 525 17.941 20.973 18.005 1.00 0.00 C ATOM 831 O GLY A 525 17.216 20.356 17.218 1.00 0.00 O ATOM 0 H GLY A 525 18.072 21.841 15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.677 22.238 17.960 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.160 23.110 18.063 1.00 0.00 H new ATOM 835 N TYR A 526 18.155 20.572 19.259 1.00 0.00 N ATOM 836 CA TYR A 526 17.509 19.411 19.875 1.00 0.00 C ATOM 837 C TYR A 526 16.128 19.754 20.459 1.00 0.00 C ATOM 838 O TYR A 526 15.950 20.807 21.080 1.00 0.00 O ATOM 839 CB TYR A 526 18.432 18.850 20.966 1.00 0.00 C ATOM 840 CG TYR A 526 19.695 18.207 20.421 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.603 17.003 19.695 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.954 18.808 20.622 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.761 16.399 19.171 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.115 18.213 20.092 1.00 0.00 C ATOM 845 CZ TYR A 526 22.020 17.007 19.362 1.00 0.00 C ATOM 846 OH TYR A 526 23.136 16.428 18.841 1.00 0.00 O ATOM 0 H TYR A 526 18.796 21.055 19.888 1.00 0.00 H new ATOM 0 HA TYR A 526 17.342 18.661 19.102 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.709 19.656 21.646 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.883 18.113 21.552 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.639 16.541 19.540 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.028 19.727 21.184 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.686 15.471 18.623 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.078 18.678 20.243 1.00 0.00 H new ATOM 0 HH TYR A 526 23.920 16.973 19.061 1.00 0.00 H new ATOM 856 N VAL A 527 15.168 18.835 20.298 1.00 0.00 N ATOM 857 CA VAL A 527 13.777 18.924 20.792 1.00 0.00 C ATOM 858 C VAL A 527 13.207 17.520 21.082 1.00 0.00 C ATOM 859 O VAL A 527 13.637 16.548 20.454 1.00 0.00 O ATOM 860 CB VAL A 527 12.841 19.640 19.785 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.931 21.166 19.893 1.00 0.00 C ATOM 862 CG2 VAL A 527 13.082 19.237 18.324 1.00 0.00 C ATOM 0 H VAL A 527 15.343 17.964 19.796 1.00 0.00 H new ATOM 0 HA VAL A 527 13.815 19.510 21.710 1.00 0.00 H new ATOM 0 HB VAL A 527 11.842 19.309 20.068 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.257 21.622 19.168 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.647 21.477 20.898 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.953 21.485 19.690 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.391 19.778 17.678 1.00 0.00 H new ATOM 0 HG22 VAL A 527 14.107 19.481 18.044 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.920 18.165 18.211 1.00 0.00 H new ATOM 872 N PRO A 528 12.240 17.369 22.012 1.00 0.00 N ATOM 873 CA PRO A 528 11.642 16.069 22.318 1.00 0.00 C ATOM 874 C PRO A 528 10.727 15.582 21.180 1.00 0.00 C ATOM 875 O PRO A 528 9.888 16.334 20.680 1.00 0.00 O ATOM 876 CB PRO A 528 10.866 16.284 23.624 1.00 0.00 C ATOM 877 CG PRO A 528 10.520 17.776 23.626 1.00 0.00 C ATOM 878 CD PRO A 528 11.675 18.417 22.856 1.00 0.00 C ATOM 0 HA PRO A 528 12.398 15.291 22.424 1.00 0.00 H new ATOM 0 HB2 PRO A 528 9.967 15.668 23.657 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.468 16.015 24.492 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.562 17.966 23.142 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.448 18.169 24.640 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.322 19.254 22.253 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.426 18.812 23.540 1.00 0.00 H new ATOM 886 N TYR A 529 10.824 14.301 20.804 1.00 0.00 N ATOM 887 CA TYR A 529 9.935 13.703 19.790 1.00 0.00 C ATOM 888 C TYR A 529 8.440 13.695 20.186 1.00 0.00 C ATOM 889 O TYR A 529 7.580 13.576 19.315 1.00 0.00 O ATOM 890 CB TYR A 529 10.404 12.287 19.413 1.00 0.00 C ATOM 891 CG TYR A 529 9.983 11.182 20.369 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.784 10.871 21.480 1.00 0.00 C ATOM 893 CD2 TYR A 529 8.787 10.465 20.149 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.402 9.856 22.377 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.395 9.450 21.044 1.00 0.00 C ATOM 896 CZ TYR A 529 9.204 9.141 22.162 1.00 0.00 C ATOM 897 OH TYR A 529 8.837 8.161 23.031 1.00 0.00 O ATOM 0 H TYR A 529 11.512 13.652 21.187 1.00 0.00 H new ATOM 0 HA TYR A 529 10.009 14.353 18.918 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.023 12.049 18.420 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.492 12.290 19.345 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.701 11.416 21.647 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.171 10.695 19.292 1.00 0.00 H new ATOM 0 HE1 TYR A 529 11.025 9.624 23.229 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.476 8.908 20.876 1.00 0.00 H new ATOM 0 HH TYR A 529 7.988 7.768 22.741 1.00 0.00 H new ATOM 907 N ASN A 530 8.120 13.829 21.482 1.00 0.00 N ATOM 908 CA ASN A 530 6.751 13.803 22.012 1.00 0.00 C ATOM 909 C ASN A 530 5.853 14.953 21.503 1.00 0.00 C ATOM 910 O ASN A 530 4.687 14.714 21.175 1.00 0.00 O ATOM 911 CB ASN A 530 6.842 13.804 23.550 1.00 0.00 C ATOM 912 CG ASN A 530 5.473 13.837 24.215 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.952 14.888 24.564 1.00 0.00 O ATOM 914 ND2 ASN A 530 4.843 12.698 24.407 1.00 0.00 N ATOM 0 H ASN A 530 8.825 13.962 22.207 1.00 0.00 H new ATOM 0 HA ASN A 530 6.264 12.899 21.647 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.381 12.916 23.879 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.422 14.668 23.876 1.00 0.00 H new ATOM 0 HD21 ASN A 530 3.922 12.692 24.846 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.275 11.821 24.117 1.00 0.00 H new ATOM 921 N ILE A 531 6.376 16.188 21.425 1.00 0.00 N ATOM 922 CA ILE A 531 5.625 17.347 20.889 1.00 0.00 C ATOM 923 C ILE A 531 5.601 17.376 19.354 1.00 0.00 C ATOM 924 O ILE A 531 4.734 18.013 18.758 1.00 0.00 O ATOM 925 CB ILE A 531 6.154 18.695 21.428 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.581 19.011 20.924 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.040 18.726 22.962 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.124 20.363 21.384 1.00 0.00 C ATOM 0 H ILE A 531 7.323 16.415 21.728 1.00 0.00 H new ATOM 0 HA ILE A 531 4.603 17.213 21.243 1.00 0.00 H new ATOM 0 HB ILE A 531 5.529 19.495 21.030 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.256 18.226 21.265 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.584 18.983 19.834 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.415 19.679 23.336 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.996 18.608 23.252 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.629 17.913 23.387 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.129 20.506 20.987 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.474 21.159 21.021 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.157 20.390 22.473 1.00 0.00 H new ATOM 940 N LEU A 532 6.559 16.705 18.714 1.00 0.00 N ATOM 941 CA LEU A 532 6.604 16.499 17.269 1.00 0.00 C ATOM 942 C LEU A 532 5.641 15.370 16.843 1.00 0.00 C ATOM 943 O LEU A 532 5.164 14.578 17.659 1.00 0.00 O ATOM 944 CB LEU A 532 8.063 16.209 16.855 1.00 0.00 C ATOM 945 CG LEU A 532 9.068 17.330 17.195 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.478 16.886 16.807 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.746 18.638 16.466 1.00 0.00 C ATOM 0 H LEU A 532 7.347 16.278 19.202 1.00 0.00 H new ATOM 0 HA LEU A 532 6.268 17.399 16.754 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.388 15.289 17.342 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.092 16.028 15.780 1.00 0.00 H new ATOM 0 HG LEU A 532 8.999 17.514 18.267 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.188 17.678 17.047 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.740 15.984 17.359 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.513 16.680 15.737 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.481 19.396 16.737 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.777 18.472 15.389 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.751 18.978 16.752 1.00 0.00 H new ATOM 959 N THR A 533 5.361 15.291 15.542 1.00 0.00 N ATOM 960 CA THR A 533 4.485 14.280 14.915 1.00 0.00 C ATOM 961 C THR A 533 5.041 13.863 13.551 1.00 0.00 C ATOM 962 O THR A 533 5.708 14.679 12.912 1.00 0.00 O ATOM 963 CB THR A 533 3.038 14.795 14.745 1.00 0.00 C ATOM 964 OG1 THR A 533 2.980 16.117 14.257 1.00 0.00 O ATOM 965 CG2 THR A 533 2.239 14.733 16.044 1.00 0.00 C ATOM 0 H THR A 533 5.748 15.949 14.865 1.00 0.00 H new ATOM 0 HA THR A 533 4.462 13.418 15.582 1.00 0.00 H new ATOM 0 HB THR A 533 2.594 14.123 14.011 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.811 16.585 14.481 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.230 15.106 15.869 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.189 13.701 16.391 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.727 15.347 16.801 1.00 0.00 H new ATOM 973 N PRO A 534 4.760 12.638 13.062 1.00 0.00 N ATOM 974 CA PRO A 534 5.418 12.029 11.891 1.00 0.00 C ATOM 975 C PRO A 534 5.061 12.650 10.519 1.00 0.00 C ATOM 976 O PRO A 534 5.325 12.037 9.481 1.00 0.00 O ATOM 977 CB PRO A 534 5.050 10.536 11.973 1.00 0.00 C ATOM 978 CG PRO A 534 3.702 10.538 12.682 1.00 0.00 C ATOM 979 CD PRO A 534 3.883 11.656 13.700 1.00 0.00 C ATOM 0 HA PRO A 534 6.492 12.211 11.937 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.982 10.085 10.983 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.796 9.969 12.531 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.880 10.740 11.995 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.490 9.581 13.160 1.00 0.00 H new ATOM 0 HD2 PRO A 534 2.925 12.102 13.966 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.325 11.278 14.622 1.00 0.00 H new ATOM 987 N TYR A 535 4.453 13.844 10.499 1.00 0.00 N ATOM 988 CA TYR A 535 3.905 14.538 9.325 1.00 0.00 C ATOM 989 C TYR A 535 3.091 13.598 8.401 1.00 0.00 C ATOM 990 O TYR A 535 3.521 13.283 7.281 1.00 0.00 O ATOM 991 CB TYR A 535 5.001 15.357 8.614 1.00 0.00 C ATOM 992 CG TYR A 535 4.505 16.632 7.944 1.00 0.00 C ATOM 993 CD1 TYR A 535 3.407 16.615 7.057 1.00 0.00 C ATOM 994 CD2 TYR A 535 5.129 17.860 8.244 1.00 0.00 C ATOM 995 CE1 TYR A 535 2.927 17.810 6.488 1.00 0.00 C ATOM 996 CE2 TYR A 535 4.640 19.057 7.693 1.00 0.00 C ATOM 997 CZ TYR A 535 3.539 19.039 6.812 1.00 0.00 C ATOM 998 OH TYR A 535 3.075 20.206 6.288 1.00 0.00 O ATOM 0 H TYR A 535 4.323 14.384 11.354 1.00 0.00 H new ATOM 0 HA TYR A 535 3.166 15.263 9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.769 15.619 9.341 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.476 14.728 7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 535 2.931 15.677 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.987 17.881 8.900 1.00 0.00 H new ATOM 0 HE1 TYR A 535 2.091 17.786 5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 535 5.110 19.996 7.946 1.00 0.00 H new ATOM 0 HH TYR A 535 3.616 20.952 6.621 1.00 0.00 H new