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 -96:sc= 0.0228 USER MOD Single : A 486 ASN : amide:sc=-0.00185 K(o=-0.0018,f=-0.85) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 495 SER OG : rot -45:sc= 0.344 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=-0.42) 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+ 176:sc= 0.0209 (180deg=0.0186) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.19) 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 30:sc= 1.23 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.500 14.447 7.649 1.00 0.00 N ATOM 118 CA TRP A 482 9.964 15.690 8.212 1.00 0.00 C ATOM 119 C TRP A 482 8.935 15.390 9.312 1.00 0.00 C ATOM 120 O TRP A 482 8.289 14.336 9.308 1.00 0.00 O ATOM 121 CB TRP A 482 9.295 16.532 7.110 1.00 0.00 C ATOM 122 CG TRP A 482 10.159 17.050 5.997 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.672 16.311 4.987 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.572 18.429 5.722 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.346 17.127 4.101 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.306 18.443 4.497 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.395 19.672 6.372 1.00 0.00 C ATOM 128 CZ2 TRP A 482 11.825 19.621 3.939 1.00 0.00 C ATOM 129 CZ3 TRP A 482 10.914 20.861 5.824 1.00 0.00 C ATOM 130 CH2 TRP A 482 11.626 20.839 4.609 1.00 0.00 C ATOM 0 HA TRP A 482 10.795 16.248 8.643 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.502 15.931 6.665 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.817 17.387 7.587 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.569 15.240 4.888 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.815 16.795 3.258 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.852 19.710 7.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.370 19.591 3.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 10.765 21.798 6.340 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.018 21.756 4.194 1.00 0.00 H new ATOM 141 N VAL A 483 8.754 16.339 10.230 1.00 0.00 N ATOM 142 CA VAL A 483 7.861 16.232 11.395 1.00 0.00 C ATOM 143 C VAL A 483 7.086 17.534 11.605 1.00 0.00 C ATOM 144 O VAL A 483 7.669 18.601 11.821 1.00 0.00 O ATOM 145 CB VAL A 483 8.626 15.824 12.675 1.00 0.00 C ATOM 146 CG1 VAL A 483 8.962 14.328 12.650 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.933 16.595 12.922 1.00 0.00 C ATOM 0 H VAL A 483 9.239 17.235 10.186 1.00 0.00 H new ATOM 0 HA VAL A 483 7.145 15.437 11.186 1.00 0.00 H new ATOM 0 HB VAL A 483 7.943 16.074 13.487 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.500 14.061 13.559 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.040 13.749 12.590 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.585 14.109 11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.397 16.239 13.842 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.614 16.434 12.086 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.716 17.659 13.013 1.00 0.00 H new ATOM 157 N LEU A 484 5.756 17.452 11.507 1.00 0.00 N ATOM 158 CA LEU A 484 4.846 18.542 11.857 1.00 0.00 C ATOM 159 C LEU A 484 4.760 18.630 13.387 1.00 0.00 C ATOM 160 O LEU A 484 4.480 17.631 14.056 1.00 0.00 O ATOM 161 CB LEU A 484 3.468 18.276 11.215 1.00 0.00 C ATOM 162 CG LEU A 484 2.440 19.415 11.396 1.00 0.00 C ATOM 163 CD1 LEU A 484 2.877 20.728 10.743 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.109 19.007 10.763 1.00 0.00 C ATOM 0 H LEU A 484 5.276 16.614 11.178 1.00 0.00 H new ATOM 0 HA LEU A 484 5.209 19.497 11.478 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.608 18.097 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.055 17.361 11.640 1.00 0.00 H new ATOM 0 HG LEU A 484 2.350 19.579 12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.112 21.487 10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 484 3.817 21.059 11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.014 20.574 9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.384 19.811 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.255 18.816 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 484 0.738 18.103 11.247 1.00 0.00 H new ATOM 176 N CYS A 485 5.016 19.804 13.960 1.00 0.00 N ATOM 177 CA CYS A 485 4.872 20.015 15.401 1.00 0.00 C ATOM 178 C CYS A 485 3.397 19.881 15.855 1.00 0.00 C ATOM 179 O CYS A 485 2.480 20.151 15.076 1.00 0.00 O ATOM 180 CB CYS A 485 5.424 21.407 15.715 1.00 0.00 C ATOM 181 SG CYS A 485 5.855 21.536 17.469 1.00 0.00 S ATOM 0 H CYS A 485 5.326 20.629 13.446 1.00 0.00 H new ATOM 0 HA CYS A 485 5.426 19.252 15.948 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.304 21.602 15.103 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.683 22.165 15.460 1.00 0.00 H new ATOM 0 HG CYS A 485 4.872 22.087 18.118 1.00 0.00 H new ATOM 187 N ASN A 486 3.156 19.522 17.122 1.00 0.00 N ATOM 188 CA ASN A 486 1.808 19.399 17.697 1.00 0.00 C ATOM 189 C ASN A 486 1.516 20.453 18.789 1.00 0.00 C ATOM 190 O ASN A 486 0.356 20.814 18.995 1.00 0.00 O ATOM 191 CB ASN A 486 1.626 17.962 18.233 1.00 0.00 C ATOM 192 CG ASN A 486 0.182 17.473 18.258 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.760 18.127 17.828 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.040 16.267 18.736 1.00 0.00 N ATOM 0 H ASN A 486 3.900 19.306 17.786 1.00 0.00 H new ATOM 0 HA ASN A 486 1.082 19.595 16.908 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.216 17.282 17.619 1.00 0.00 H new ATOM 0 HB3 ASN A 486 2.031 17.911 19.244 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.987 15.888 18.745 1.00 0.00 H new ATOM 0 HD22 ASN A 486 0.735 15.711 19.097 1.00 0.00 H new ATOM 201 N TYR A 487 2.556 20.982 19.451 1.00 0.00 N ATOM 202 CA TYR A 487 2.457 21.959 20.548 1.00 0.00 C ATOM 203 C TYR A 487 3.701 22.861 20.596 1.00 0.00 C ATOM 204 O TYR A 487 4.823 22.383 20.419 1.00 0.00 O ATOM 205 CB TYR A 487 2.325 21.219 21.894 1.00 0.00 C ATOM 206 CG TYR A 487 1.167 20.241 21.978 1.00 0.00 C ATOM 207 CD1 TYR A 487 -0.131 20.707 22.267 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.379 18.874 21.704 1.00 0.00 C ATOM 209 CE1 TYR A 487 -1.220 19.812 22.270 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.294 17.977 21.708 1.00 0.00 C ATOM 211 CZ TYR A 487 -1.009 18.444 21.985 1.00 0.00 C ATOM 212 OH TYR A 487 -2.057 17.576 21.967 1.00 0.00 O ATOM 0 H TYR A 487 3.521 20.734 19.231 1.00 0.00 H new ATOM 0 HA TYR A 487 1.578 22.578 20.371 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.252 20.679 22.087 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.215 21.957 22.688 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -0.292 21.752 22.487 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.375 18.515 21.491 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -2.214 20.171 22.490 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.459 16.930 21.499 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.733 16.676 21.753 1.00 0.00 H new ATOM 222 N ASP A 488 3.524 24.162 20.850 1.00 0.00 N ATOM 223 CA ASP A 488 4.639 25.114 20.979 1.00 0.00 C ATOM 224 C ASP A 488 5.603 24.780 22.141 1.00 0.00 C ATOM 225 O ASP A 488 5.216 24.171 23.145 1.00 0.00 O ATOM 226 CB ASP A 488 4.109 26.550 21.100 1.00 0.00 C ATOM 227 CG ASP A 488 3.526 26.864 22.489 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.339 26.542 22.738 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.242 27.471 23.322 1.00 0.00 O ATOM 0 H ASP A 488 2.605 24.587 20.972 1.00 0.00 H new ATOM 0 HA ASP A 488 5.228 25.025 20.066 1.00 0.00 H new ATOM 0 HB2 ASP A 488 4.918 27.249 20.886 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.340 26.712 20.345 1.00 0.00 H new ATOM 234 N PHE A 489 6.862 25.209 22.004 1.00 0.00 N ATOM 235 CA PHE A 489 7.950 24.940 22.946 1.00 0.00 C ATOM 236 C PHE A 489 9.070 25.945 22.695 1.00 0.00 C ATOM 237 O PHE A 489 9.810 25.833 21.717 1.00 0.00 O ATOM 238 CB PHE A 489 8.447 23.499 22.756 1.00 0.00 C ATOM 239 CG PHE A 489 9.577 23.034 23.659 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.306 22.629 24.981 1.00 0.00 C ATOM 241 CD2 PHE A 489 10.890 22.937 23.160 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.343 22.143 25.799 1.00 0.00 C ATOM 243 CE2 PHE A 489 11.923 22.438 23.974 1.00 0.00 C ATOM 244 CZ PHE A 489 11.653 22.050 25.296 1.00 0.00 C ATOM 0 H PHE A 489 7.160 25.772 21.207 1.00 0.00 H new ATOM 0 HA PHE A 489 7.603 25.045 23.974 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.601 22.827 22.899 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.772 23.386 21.722 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.300 22.692 25.368 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.105 23.247 22.148 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.132 21.841 26.814 1.00 0.00 H new ATOM 0 HE2 PHE A 489 12.926 22.353 23.581 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.449 21.681 25.925 1.00 0.00 H new ATOM 254 N GLN A 490 9.165 26.966 23.545 1.00 0.00 N ATOM 255 CA GLN A 490 10.298 27.891 23.550 1.00 0.00 C ATOM 256 C GLN A 490 11.530 27.210 24.171 1.00 0.00 C ATOM 257 O GLN A 490 11.455 26.660 25.273 1.00 0.00 O ATOM 258 CB GLN A 490 9.911 29.159 24.320 1.00 0.00 C ATOM 259 CG GLN A 490 9.047 30.102 23.465 1.00 0.00 C ATOM 260 CD GLN A 490 8.656 31.383 24.207 1.00 0.00 C ATOM 261 OE1 GLN A 490 9.419 31.964 24.971 1.00 0.00 O ATOM 262 NE2 GLN A 490 7.453 31.883 24.012 1.00 0.00 N ATOM 0 H GLN A 490 8.458 27.176 24.250 1.00 0.00 H new ATOM 0 HA GLN A 490 10.554 28.172 22.528 1.00 0.00 H new ATOM 0 HB2 GLN A 490 9.366 28.884 25.223 1.00 0.00 H new ATOM 0 HB3 GLN A 490 10.813 29.681 24.639 1.00 0.00 H new ATOM 0 HG2 GLN A 490 9.592 30.365 22.558 1.00 0.00 H new ATOM 0 HG3 GLN A 490 8.144 29.578 23.154 1.00 0.00 H new ATOM 0 HE21 GLN A 490 6.803 31.415 23.380 1.00 0.00 H new ATOM 0 HE22 GLN A 490 7.172 32.738 24.492 1.00 0.00 H new ATOM 271 N ALA A 491 12.664 27.253 23.462 1.00 0.00 N ATOM 272 CA ALA A 491 13.907 26.590 23.854 1.00 0.00 C ATOM 273 C ALA A 491 15.131 27.384 23.373 1.00 0.00 C ATOM 274 O ALA A 491 15.295 27.626 22.175 1.00 0.00 O ATOM 275 CB ALA A 491 13.925 25.182 23.273 1.00 0.00 C ATOM 0 H ALA A 491 12.742 27.761 22.581 1.00 0.00 H new ATOM 0 HA ALA A 491 13.954 26.538 24.942 1.00 0.00 H new ATOM 0 HB1 ALA A 491 14.849 24.681 23.561 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.073 24.620 23.655 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.865 25.236 22.186 1.00 0.00 H new ATOM 330 N SER A 495 22.239 24.679 22.965 1.00 0.00 N ATOM 331 CA SER A 495 22.026 23.941 21.700 1.00 0.00 C ATOM 332 C SER A 495 20.557 23.535 21.436 1.00 0.00 C ATOM 333 O SER A 495 20.283 22.581 20.703 1.00 0.00 O ATOM 334 CB SER A 495 23.005 22.756 21.608 1.00 0.00 C ATOM 335 OG SER A 495 23.072 22.251 20.284 1.00 0.00 O ATOM 0 HA SER A 495 22.247 24.634 20.888 1.00 0.00 H new ATOM 0 HB2 SER A 495 23.997 23.074 21.930 1.00 0.00 H new ATOM 0 HB3 SER A 495 22.688 21.964 22.287 1.00 0.00 H new ATOM 0 HG SER A 495 22.166 22.168 19.919 1.00 0.00 H new ATOM 341 N GLU A 496 19.597 24.260 22.017 1.00 0.00 N ATOM 342 CA GLU A 496 18.154 24.067 21.811 1.00 0.00 C ATOM 343 C GLU A 496 17.579 25.158 20.884 1.00 0.00 C ATOM 344 O GLU A 496 18.209 26.201 20.677 1.00 0.00 O ATOM 345 CB GLU A 496 17.428 24.098 23.163 1.00 0.00 C ATOM 346 CG GLU A 496 17.921 23.045 24.168 1.00 0.00 C ATOM 347 CD GLU A 496 17.169 23.072 25.518 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.326 23.968 25.759 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.471 22.212 26.383 1.00 0.00 O ATOM 0 H GLU A 496 19.806 25.021 22.663 1.00 0.00 H new ATOM 0 HA GLU A 496 18.001 23.098 21.337 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.547 25.088 23.604 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.361 23.950 22.993 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.816 22.055 23.724 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.984 23.201 24.352 1.00 0.00 H new ATOM 356 N LEU A 497 16.373 24.937 20.341 1.00 0.00 N ATOM 357 CA LEU A 497 15.685 25.911 19.481 1.00 0.00 C ATOM 358 C LEU A 497 14.154 25.844 19.624 1.00 0.00 C ATOM 359 O LEU A 497 13.567 24.759 19.648 1.00 0.00 O ATOM 360 CB LEU A 497 16.110 25.656 18.023 1.00 0.00 C ATOM 361 CG LEU A 497 15.621 26.738 17.037 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.768 27.642 16.582 1.00 0.00 C ATOM 363 CD2 LEU A 497 14.961 26.091 15.824 1.00 0.00 C ATOM 0 H LEU A 497 15.846 24.076 20.486 1.00 0.00 H new ATOM 0 HA LEU A 497 15.974 26.915 19.791 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.197 25.598 17.975 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.725 24.687 17.706 1.00 0.00 H new ATOM 0 HG LEU A 497 14.890 27.354 17.561 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.387 28.392 15.889 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.206 28.138 17.448 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.529 27.041 16.084 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.621 26.867 15.138 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.681 25.448 15.318 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.108 25.495 16.149 1.00 0.00 H new ATOM 375 N SER A 498 13.511 27.012 19.700 1.00 0.00 N ATOM 376 CA SER A 498 12.054 27.156 19.778 1.00 0.00 C ATOM 377 C SER A 498 11.310 26.610 18.547 1.00 0.00 C ATOM 378 O SER A 498 11.785 26.740 17.415 1.00 0.00 O ATOM 379 CB SER A 498 11.680 28.631 20.000 1.00 0.00 C ATOM 380 OG SER A 498 12.248 29.487 19.018 1.00 0.00 O ATOM 0 H SER A 498 14.001 27.907 19.709 1.00 0.00 H new ATOM 0 HA SER A 498 11.735 26.551 20.626 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.595 28.734 19.985 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.016 28.943 20.989 1.00 0.00 H new ATOM 0 HG SER A 498 11.982 30.413 19.198 1.00 0.00 H new ATOM 386 N VAL A 499 10.100 26.081 18.762 1.00 0.00 N ATOM 387 CA VAL A 499 9.189 25.576 17.711 1.00 0.00 C ATOM 388 C VAL A 499 7.730 25.994 17.958 1.00 0.00 C ATOM 389 O VAL A 499 7.350 26.358 19.076 1.00 0.00 O ATOM 390 CB VAL A 499 9.290 24.039 17.546 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.671 23.603 17.043 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.973 23.265 18.832 1.00 0.00 C ATOM 0 H VAL A 499 9.709 25.987 19.699 1.00 0.00 H new ATOM 0 HA VAL A 499 9.516 26.038 16.779 1.00 0.00 H new ATOM 0 HB VAL A 499 8.532 23.794 16.802 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.696 22.518 16.942 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.867 24.062 16.074 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.434 23.919 17.755 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.063 22.195 18.644 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.674 23.556 19.614 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.956 23.493 19.153 1.00 0.00 H new ATOM 402 N LYS A 500 6.904 25.925 16.905 1.00 0.00 N ATOM 403 CA LYS A 500 5.488 26.350 16.875 1.00 0.00 C ATOM 404 C LYS A 500 4.612 25.220 16.328 1.00 0.00 C ATOM 405 O LYS A 500 5.032 24.484 15.442 1.00 0.00 O ATOM 406 CB LYS A 500 5.328 27.584 15.956 1.00 0.00 C ATOM 407 CG LYS A 500 6.169 28.822 16.318 1.00 0.00 C ATOM 408 CD LYS A 500 5.430 29.928 17.085 1.00 0.00 C ATOM 409 CE LYS A 500 5.019 29.528 18.510 1.00 0.00 C ATOM 410 NZ LYS A 500 3.537 29.472 18.673 1.00 0.00 N ATOM 0 H LYS A 500 7.214 25.555 16.007 1.00 0.00 H new ATOM 0 HA LYS A 500 5.180 26.599 17.891 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.579 27.286 14.938 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.277 27.874 15.953 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.021 28.498 16.916 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.569 29.248 15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 500 6.068 30.810 17.135 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.538 30.211 16.526 1.00 0.00 H new ATOM 0 HE2 LYS A 500 5.446 28.555 18.750 1.00 0.00 H new ATOM 0 HE3 LYS A 500 5.434 30.243 19.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 3.305 29.198 19.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 3.130 30.407 18.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 3.141 28.771 18.014 1.00 0.00 H new ATOM 424 N GLN A 501 3.357 25.157 16.778 1.00 0.00 N ATOM 425 CA GLN A 501 2.358 24.131 16.409 1.00 0.00 C ATOM 426 C GLN A 501 2.028 24.062 14.900 1.00 0.00 C ATOM 427 O GLN A 501 1.502 23.056 14.420 1.00 0.00 O ATOM 428 CB GLN A 501 1.102 24.370 17.272 1.00 0.00 C ATOM 429 CG GLN A 501 -0.080 23.431 16.963 1.00 0.00 C ATOM 430 CD GLN A 501 -1.228 23.512 17.972 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.234 24.286 18.924 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.273 22.728 17.785 1.00 0.00 N ATOM 0 H GLN A 501 2.986 25.843 17.436 1.00 0.00 H new ATOM 0 HA GLN A 501 2.788 23.150 16.613 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.373 24.258 18.322 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.775 25.401 17.135 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.466 23.666 15.971 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.286 22.405 16.928 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.288 22.077 17.000 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.065 22.773 18.426 1.00 0.00 H new ATOM 441 N ARG A 502 2.372 25.107 14.136 1.00 0.00 N ATOM 442 CA ARG A 502 2.113 25.232 12.689 1.00 0.00 C ATOM 443 C ARG A 502 3.391 25.297 11.841 1.00 0.00 C ATOM 444 O ARG A 502 3.351 25.691 10.675 1.00 0.00 O ATOM 445 CB ARG A 502 1.144 26.405 12.448 1.00 0.00 C ATOM 446 CG ARG A 502 1.720 27.772 12.857 1.00 0.00 C ATOM 447 CD ARG A 502 0.703 28.880 12.562 1.00 0.00 C ATOM 448 NE ARG A 502 1.267 30.223 12.807 1.00 0.00 N ATOM 449 CZ ARG A 502 0.621 31.373 12.706 1.00 0.00 C ATOM 450 NH1 ARG A 502 -0.649 31.434 12.411 1.00 0.00 N ATOM 451 NH2 ARG A 502 1.246 32.500 12.899 1.00 0.00 N ATOM 0 H ARG A 502 2.856 25.919 14.519 1.00 0.00 H new ATOM 0 HA ARG A 502 1.631 24.318 12.343 1.00 0.00 H new ATOM 0 HB2 ARG A 502 0.877 26.434 11.392 1.00 0.00 H new ATOM 0 HB3 ARG A 502 0.224 26.226 13.005 1.00 0.00 H new ATOM 0 HG2 ARG A 502 1.968 27.768 13.918 1.00 0.00 H new ATOM 0 HG3 ARG A 502 2.646 27.963 12.314 1.00 0.00 H new ATOM 0 HD2 ARG A 502 0.377 28.807 11.525 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -0.180 28.738 13.185 1.00 0.00 H new ATOM 0 HE ARG A 502 2.249 30.268 13.080 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -1.177 30.576 12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -1.114 32.339 12.342 1.00 0.00 H new ATOM 0 HH21 ARG A 502 2.240 32.499 13.130 1.00 0.00 H new ATOM 0 HH22 ARG A 502 0.742 33.383 12.819 1.00 0.00 H new ATOM 465 N ASP A 503 4.518 24.897 12.424 1.00 0.00 N ATOM 466 CA ASP A 503 5.824 24.797 11.768 1.00 0.00 C ATOM 467 C ASP A 503 6.206 23.315 11.571 1.00 0.00 C ATOM 468 O ASP A 503 5.894 22.456 12.405 1.00 0.00 O ATOM 469 CB ASP A 503 6.843 25.580 12.614 1.00 0.00 C ATOM 470 CG ASP A 503 8.189 25.845 11.916 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.256 25.810 10.665 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.169 26.158 12.634 1.00 0.00 O ATOM 0 H ASP A 503 4.550 24.622 13.406 1.00 0.00 H new ATOM 0 HA ASP A 503 5.803 25.236 10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.402 26.536 12.897 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.029 25.029 13.536 1.00 0.00 H new ATOM 477 N VAL A 504 6.867 23.008 10.452 1.00 0.00 N ATOM 478 CA VAL A 504 7.245 21.649 10.031 1.00 0.00 C ATOM 479 C VAL A 504 8.736 21.615 9.699 1.00 0.00 C ATOM 480 O VAL A 504 9.222 22.391 8.871 1.00 0.00 O ATOM 481 CB VAL A 504 6.348 21.142 8.878 1.00 0.00 C ATOM 482 CG1 VAL A 504 6.370 21.994 7.601 1.00 0.00 C ATOM 483 CG2 VAL A 504 6.673 19.695 8.493 1.00 0.00 C ATOM 0 H VAL A 504 7.166 23.722 9.788 1.00 0.00 H new ATOM 0 HA VAL A 504 7.076 20.953 10.853 1.00 0.00 H new ATOM 0 HB VAL A 504 5.345 21.219 9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.708 21.551 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.032 23.004 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 504 7.385 22.032 7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.020 19.379 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.712 19.629 8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.519 19.046 9.355 1.00 0.00 H new ATOM 493 N LEU A 505 9.471 20.741 10.392 1.00 0.00 N ATOM 494 CA LEU A 505 10.936 20.728 10.405 1.00 0.00 C ATOM 495 C LEU A 505 11.490 19.400 9.869 1.00 0.00 C ATOM 496 O LEU A 505 10.792 18.385 9.851 1.00 0.00 O ATOM 497 CB LEU A 505 11.471 20.996 11.831 1.00 0.00 C ATOM 498 CG LEU A 505 11.159 22.344 12.517 1.00 0.00 C ATOM 499 CD1 LEU A 505 11.221 23.527 11.556 1.00 0.00 C ATOM 500 CD2 LEU A 505 9.822 22.368 13.261 1.00 0.00 C ATOM 0 H LEU A 505 9.057 20.010 10.970 1.00 0.00 H new ATOM 0 HA LEU A 505 11.279 21.526 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 505 11.091 20.205 12.477 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.555 20.888 11.799 1.00 0.00 H new ATOM 0 HG LEU A 505 11.953 22.447 13.257 1.00 0.00 H new ATOM 0 HD11 LEU A 505 10.993 24.446 12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 505 12.221 23.596 11.128 1.00 0.00 H new ATOM 0 HD13 LEU A 505 10.493 23.385 10.757 1.00 0.00 H new ATOM 0 HD21 LEU A 505 9.676 23.348 13.715 1.00 0.00 H new ATOM 0 HD22 LEU A 505 9.012 22.169 12.560 1.00 0.00 H new ATOM 0 HD23 LEU A 505 9.825 21.604 14.039 1.00 0.00 H new ATOM 512 N GLU A 506 12.755 19.407 9.442 1.00 0.00 N ATOM 513 CA GLU A 506 13.457 18.196 8.994 1.00 0.00 C ATOM 514 C GLU A 506 14.022 17.411 10.186 1.00 0.00 C ATOM 515 O GLU A 506 14.112 17.939 11.294 1.00 0.00 O ATOM 516 CB GLU A 506 14.595 18.549 8.021 1.00 0.00 C ATOM 517 CG GLU A 506 14.122 19.321 6.786 1.00 0.00 C ATOM 518 CD GLU A 506 15.297 19.644 5.845 1.00 0.00 C ATOM 519 OE1 GLU A 506 15.812 18.720 5.166 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.717 20.826 5.769 1.00 0.00 O ATOM 0 H GLU A 506 13.324 20.252 9.396 1.00 0.00 H new ATOM 0 HA GLU A 506 12.730 17.571 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 506 15.342 19.143 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.087 17.631 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 506 13.376 18.734 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 506 13.637 20.246 7.097 1.00 0.00 H new ATOM 527 N VAL A 507 14.469 16.174 9.956 1.00 0.00 N ATOM 528 CA VAL A 507 15.077 15.314 10.987 1.00 0.00 C ATOM 529 C VAL A 507 16.531 15.008 10.615 1.00 0.00 C ATOM 530 O VAL A 507 16.816 14.543 9.507 1.00 0.00 O ATOM 531 CB VAL A 507 14.265 14.017 11.182 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.865 13.139 12.290 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.807 14.316 11.559 1.00 0.00 C ATOM 0 H VAL A 507 14.420 15.731 9.038 1.00 0.00 H new ATOM 0 HA VAL A 507 15.065 15.847 11.938 1.00 0.00 H new ATOM 0 HB VAL A 507 14.302 13.491 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 507 14.268 12.234 12.400 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.888 12.869 12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.866 13.690 13.230 1.00 0.00 H new ATOM 0 HG21 VAL A 507 12.265 13.379 11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.781 14.882 12.490 1.00 0.00 H new ATOM 0 HG23 VAL A 507 12.339 14.900 10.766 1.00 0.00 H new ATOM 543 N LEU A 508 17.448 15.271 11.551 1.00 0.00 N ATOM 544 CA LEU A 508 18.902 15.133 11.383 1.00 0.00 C ATOM 545 C LEU A 508 19.484 14.028 12.280 1.00 0.00 C ATOM 546 O LEU A 508 20.369 13.285 11.849 1.00 0.00 O ATOM 547 CB LEU A 508 19.578 16.470 11.732 1.00 0.00 C ATOM 548 CG LEU A 508 19.129 17.688 10.906 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.735 18.939 11.541 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.577 17.589 9.448 1.00 0.00 C ATOM 0 H LEU A 508 17.191 15.598 12.482 1.00 0.00 H new ATOM 0 HA LEU A 508 19.094 14.859 10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.395 16.683 12.785 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.655 16.352 11.613 1.00 0.00 H new ATOM 0 HG LEU A 508 18.040 17.730 10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.432 19.819 10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.384 19.032 12.569 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.822 18.860 11.534 1.00 0.00 H new ATOM 0 HD21 LEU A 508 19.238 18.470 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.665 17.531 9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 508 19.148 16.695 8.995 1.00 0.00 H new ATOM 562 N ASP A 509 18.952 13.887 13.497 1.00 0.00 N ATOM 563 CA ASP A 509 19.245 12.793 14.428 1.00 0.00 C ATOM 564 C ASP A 509 17.974 12.391 15.192 1.00 0.00 C ATOM 565 O ASP A 509 17.229 13.244 15.684 1.00 0.00 O ATOM 566 CB ASP A 509 20.330 13.190 15.442 1.00 0.00 C ATOM 567 CG ASP A 509 21.735 13.279 14.829 1.00 0.00 C ATOM 568 OD1 ASP A 509 22.306 12.217 14.475 1.00 0.00 O ATOM 569 OD2 ASP A 509 22.304 14.396 14.754 1.00 0.00 O ATOM 0 H ASP A 509 18.281 14.556 13.875 1.00 0.00 H new ATOM 0 HA ASP A 509 19.609 11.952 13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 509 20.071 14.154 15.881 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.341 12.463 16.254 1.00 0.00 H new ATOM 574 N ASP A 510 17.767 11.081 15.315 1.00 0.00 N ATOM 575 CA ASP A 510 16.607 10.432 15.946 1.00 0.00 C ATOM 576 C ASP A 510 17.015 9.264 16.878 1.00 0.00 C ATOM 577 O ASP A 510 16.173 8.481 17.326 1.00 0.00 O ATOM 578 CB ASP A 510 15.631 9.974 14.845 1.00 0.00 C ATOM 579 CG ASP A 510 16.124 8.752 14.043 1.00 0.00 C ATOM 580 OD1 ASP A 510 17.233 8.798 13.455 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.390 7.736 13.971 1.00 0.00 O ATOM 0 H ASP A 510 18.439 10.401 14.959 1.00 0.00 H new ATOM 0 HA ASP A 510 16.110 11.157 16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.671 9.734 15.301 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.459 10.802 14.158 1.00 0.00 H new ATOM 586 N SER A 511 18.318 9.131 17.162 1.00 0.00 N ATOM 587 CA SER A 511 18.920 8.077 17.999 1.00 0.00 C ATOM 588 C SER A 511 18.589 8.185 19.499 1.00 0.00 C ATOM 589 O SER A 511 18.654 7.182 20.218 1.00 0.00 O ATOM 590 CB SER A 511 20.443 8.095 17.812 1.00 0.00 C ATOM 591 OG SER A 511 20.979 9.378 18.108 1.00 0.00 O ATOM 0 H SER A 511 19.014 9.783 16.800 1.00 0.00 H new ATOM 0 HA SER A 511 18.484 7.136 17.663 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.901 7.348 18.460 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.690 7.822 16.786 1.00 0.00 H new ATOM 0 HG SER A 511 21.951 9.363 17.983 1.00 0.00 H new ATOM 597 N ARG A 512 18.209 9.381 19.972 1.00 0.00 N ATOM 598 CA ARG A 512 17.854 9.712 21.366 1.00 0.00 C ATOM 599 C ARG A 512 16.479 10.387 21.467 1.00 0.00 C ATOM 600 O ARG A 512 15.879 10.738 20.454 1.00 0.00 O ATOM 601 CB ARG A 512 18.958 10.630 21.933 1.00 0.00 C ATOM 602 CG ARG A 512 20.334 9.961 22.081 1.00 0.00 C ATOM 603 CD ARG A 512 20.352 8.934 23.221 1.00 0.00 C ATOM 604 NE ARG A 512 21.728 8.519 23.567 1.00 0.00 N ATOM 605 CZ ARG A 512 22.092 7.816 24.627 1.00 0.00 C ATOM 606 NH1 ARG A 512 21.228 7.351 25.488 1.00 0.00 N ATOM 607 NH2 ARG A 512 23.351 7.564 24.852 1.00 0.00 N ATOM 0 H ARG A 512 18.136 10.193 19.359 1.00 0.00 H new ATOM 0 HA ARG A 512 17.786 8.792 21.947 1.00 0.00 H new ATOM 0 HB2 ARG A 512 19.059 11.499 21.283 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.641 10.998 22.909 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.601 9.469 21.145 1.00 0.00 H new ATOM 0 HG3 ARG A 512 21.090 10.724 22.268 1.00 0.00 H new ATOM 0 HD2 ARG A 512 19.869 9.360 24.101 1.00 0.00 H new ATOM 0 HD3 ARG A 512 19.771 8.059 22.930 1.00 0.00 H new ATOM 0 HE ARG A 512 22.469 8.802 22.926 1.00 0.00 H new ATOM 0 HH11 ARG A 512 20.232 7.526 25.356 1.00 0.00 H new ATOM 0 HH12 ARG A 512 21.549 6.813 26.293 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.063 7.910 24.209 1.00 0.00 H new ATOM 0 HH22 ARG A 512 23.624 7.021 25.671 1.00 0.00 H new ATOM 621 N LYS A 513 15.991 10.594 22.698 1.00 0.00 N ATOM 622 CA LYS A 513 14.712 11.276 23.018 1.00 0.00 C ATOM 623 C LYS A 513 14.664 12.729 22.518 1.00 0.00 C ATOM 624 O LYS A 513 13.611 13.221 22.109 1.00 0.00 O ATOM 625 CB LYS A 513 14.493 11.265 24.545 1.00 0.00 C ATOM 626 CG LYS A 513 14.488 9.876 25.209 1.00 0.00 C ATOM 627 CD LYS A 513 13.238 9.045 24.892 1.00 0.00 C ATOM 628 CE LYS A 513 13.356 7.685 25.591 1.00 0.00 C ATOM 629 NZ LYS A 513 12.094 6.903 25.512 1.00 0.00 N ATOM 0 H LYS A 513 16.487 10.283 23.533 1.00 0.00 H new ATOM 0 HA LYS A 513 13.923 10.728 22.503 1.00 0.00 H new ATOM 0 HB2 LYS A 513 15.274 11.867 25.010 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.543 11.754 24.761 1.00 0.00 H new ATOM 0 HG2 LYS A 513 15.371 9.325 24.885 1.00 0.00 H new ATOM 0 HG3 LYS A 513 14.567 9.999 26.289 1.00 0.00 H new ATOM 0 HD2 LYS A 513 12.343 9.567 25.230 1.00 0.00 H new ATOM 0 HD3 LYS A 513 13.139 8.908 23.815 1.00 0.00 H new ATOM 0 HE2 LYS A 513 14.165 7.113 25.136 1.00 0.00 H new ATOM 0 HE3 LYS A 513 13.622 7.838 26.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 12.219 5.992 25.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 11.326 7.436 25.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 11.852 6.734 24.515 1.00 0.00 H new ATOM 643 N TRP A 514 15.812 13.406 22.543 1.00 0.00 N ATOM 644 CA TRP A 514 16.001 14.762 22.024 1.00 0.00 C ATOM 645 C TRP A 514 16.402 14.702 20.546 1.00 0.00 C ATOM 646 O TRP A 514 17.579 14.535 20.214 1.00 0.00 O ATOM 647 CB TRP A 514 17.037 15.503 22.877 1.00 0.00 C ATOM 648 CG TRP A 514 16.563 15.848 24.255 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.604 15.037 25.337 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.943 17.090 24.712 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.040 15.682 26.423 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.611 16.951 26.092 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.629 18.321 24.095 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.986 17.975 26.821 1.00 0.00 C ATOM 655 CZ3 TRP A 514 15.012 19.360 24.818 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.686 19.188 26.176 1.00 0.00 C ATOM 0 H TRP A 514 16.666 13.012 22.939 1.00 0.00 H new ATOM 0 HA TRP A 514 15.066 15.319 22.086 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.933 14.887 22.956 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.325 16.420 22.364 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.015 14.038 25.351 1.00 0.00 H new ATOM 0 HE1 TRP A 514 15.952 15.271 27.352 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.866 18.468 23.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.739 17.833 27.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.787 20.295 24.327 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.206 19.987 26.722 1.00 0.00 H new ATOM 667 N TRP A 515 15.414 14.790 19.654 1.00 0.00 N ATOM 668 CA TRP A 515 15.650 14.812 18.208 1.00 0.00 C ATOM 669 C TRP A 515 16.300 16.134 17.796 1.00 0.00 C ATOM 670 O TRP A 515 15.952 17.202 18.313 1.00 0.00 O ATOM 671 CB TRP A 515 14.341 14.578 17.432 1.00 0.00 C ATOM 672 CG TRP A 515 13.817 13.169 17.432 1.00 0.00 C ATOM 673 CD1 TRP A 515 14.075 12.232 18.370 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.964 12.502 16.446 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.463 11.042 18.047 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.742 11.156 16.879 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.355 12.890 15.232 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.949 10.253 16.157 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.570 11.984 14.490 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.362 10.670 14.951 1.00 0.00 C ATOM 0 H TRP A 515 14.429 14.848 19.912 1.00 0.00 H new ATOM 0 HA TRP A 515 16.333 14.000 17.959 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.573 15.230 17.849 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.495 14.887 16.398 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.678 12.394 19.251 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.534 10.188 18.600 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.493 13.897 14.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.791 9.249 16.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 11.124 12.301 13.559 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.753 9.985 14.379 1.00 0.00 H new ATOM 691 N LYS A 516 17.229 16.056 16.840 1.00 0.00 N ATOM 692 CA LYS A 516 17.851 17.225 16.212 1.00 0.00 C ATOM 693 C LYS A 516 17.115 17.535 14.913 1.00 0.00 C ATOM 694 O LYS A 516 16.979 16.662 14.050 1.00 0.00 O ATOM 695 CB LYS A 516 19.346 16.960 15.989 1.00 0.00 C ATOM 696 CG LYS A 516 20.108 18.235 15.609 1.00 0.00 C ATOM 697 CD LYS A 516 21.621 17.982 15.555 1.00 0.00 C ATOM 698 CE LYS A 516 22.330 19.182 14.922 1.00 0.00 C ATOM 699 NZ LYS A 516 23.810 19.041 14.959 1.00 0.00 N ATOM 0 H LYS A 516 17.575 15.168 16.476 1.00 0.00 H new ATOM 0 HA LYS A 516 17.775 18.098 16.860 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.778 16.537 16.896 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.468 16.217 15.201 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.762 18.593 14.640 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.893 19.020 16.334 1.00 0.00 H new ATOM 0 HD2 LYS A 516 22.006 17.811 16.560 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.827 17.081 14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 516 22.003 19.292 13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 516 22.040 20.092 15.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 24.248 19.842 14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 24.133 19.030 15.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 24.086 18.152 14.495 1.00 0.00 H new ATOM 713 N VAL A 517 16.653 18.775 14.777 1.00 0.00 N ATOM 714 CA VAL A 517 15.865 19.252 13.630 1.00 0.00 C ATOM 715 C VAL A 517 16.518 20.482 12.997 1.00 0.00 C ATOM 716 O VAL A 517 17.277 21.202 13.654 1.00 0.00 O ATOM 717 CB VAL A 517 14.397 19.532 14.027 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.711 18.304 14.644 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.216 20.716 14.985 1.00 0.00 C ATOM 0 H VAL A 517 16.817 19.499 15.476 1.00 0.00 H new ATOM 0 HA VAL A 517 15.849 18.459 12.883 1.00 0.00 H new ATOM 0 HB VAL A 517 13.923 19.789 13.080 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.683 18.554 14.905 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.714 17.486 13.924 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.249 17.999 15.542 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.157 20.842 15.211 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.764 20.525 15.908 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.598 21.624 14.518 1.00 0.00 H new ATOM 729 N ARG A 518 16.206 20.730 11.719 1.00 0.00 N ATOM 730 CA ARG A 518 16.673 21.902 10.962 1.00 0.00 C ATOM 731 C ARG A 518 15.489 22.829 10.685 1.00 0.00 C ATOM 732 O ARG A 518 14.520 22.437 10.030 1.00 0.00 O ATOM 733 CB ARG A 518 17.333 21.461 9.642 1.00 0.00 C ATOM 734 CG ARG A 518 18.273 22.556 9.109 1.00 0.00 C ATOM 735 CD ARG A 518 18.724 22.305 7.665 1.00 0.00 C ATOM 736 NE ARG A 518 19.562 21.095 7.527 1.00 0.00 N ATOM 737 CZ ARG A 518 19.892 20.505 6.389 1.00 0.00 C ATOM 738 NH1 ARG A 518 19.490 20.954 5.231 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.647 19.442 6.385 1.00 0.00 N ATOM 0 H ARG A 518 15.610 20.110 11.170 1.00 0.00 H new ATOM 0 HA ARG A 518 17.418 22.437 11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 518 17.894 20.540 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.564 21.243 8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.767 23.520 9.164 1.00 0.00 H new ATOM 0 HG3 ARG A 518 19.151 22.619 9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 518 17.846 22.207 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.282 23.170 7.308 1.00 0.00 H new ATOM 0 HE ARG A 518 19.918 20.677 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 518 18.902 21.786 5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 518 19.764 20.473 4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 518 20.990 19.057 7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 518 20.895 18.996 5.502 1.00 0.00 H new ATOM 753 N ASP A 519 15.559 24.045 11.205 1.00 0.00 N ATOM 754 CA ASP A 519 14.633 25.140 10.895 1.00 0.00 C ATOM 755 C ASP A 519 14.902 25.777 9.512 1.00 0.00 C ATOM 756 O ASP A 519 16.025 25.701 8.995 1.00 0.00 O ATOM 757 CB ASP A 519 14.710 26.190 12.010 1.00 0.00 C ATOM 758 CG ASP A 519 16.150 26.653 12.235 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.606 27.571 11.512 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.810 26.066 13.119 1.00 0.00 O ATOM 0 H ASP A 519 16.281 24.312 11.875 1.00 0.00 H new ATOM 0 HA ASP A 519 13.625 24.727 10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 519 14.086 27.046 11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.311 25.773 12.934 1.00 0.00 H new ATOM 765 N PRO A 520 13.897 26.439 8.900 1.00 0.00 N ATOM 766 CA PRO A 520 14.031 27.060 7.577 1.00 0.00 C ATOM 767 C PRO A 520 14.934 28.309 7.535 1.00 0.00 C ATOM 768 O PRO A 520 15.292 28.757 6.442 1.00 0.00 O ATOM 769 CB PRO A 520 12.600 27.379 7.136 1.00 0.00 C ATOM 770 CG PRO A 520 11.841 27.552 8.450 1.00 0.00 C ATOM 771 CD PRO A 520 12.514 26.525 9.355 1.00 0.00 C ATOM 0 HA PRO A 520 14.539 26.373 6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.561 28.284 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 520 12.179 26.574 6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.936 28.564 8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.776 27.354 8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.465 26.833 10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 520 12.018 25.557 9.284 1.00 0.00 H new ATOM 779 N ALA A 521 15.332 28.870 8.686 1.00 0.00 N ATOM 780 CA ALA A 521 16.326 29.950 8.754 1.00 0.00 C ATOM 781 C ALA A 521 17.766 29.449 8.506 1.00 0.00 C ATOM 782 O ALA A 521 18.650 30.246 8.177 1.00 0.00 O ATOM 783 CB ALA A 521 16.225 30.663 10.110 1.00 0.00 C ATOM 0 H ALA A 521 14.973 28.587 9.598 1.00 0.00 H new ATOM 0 HA ALA A 521 16.101 30.654 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.964 31.463 10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.226 31.084 10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.413 29.949 10.912 1.00 0.00 H new ATOM 789 N GLY A 522 18.004 28.139 8.650 1.00 0.00 N ATOM 790 CA GLY A 522 19.293 27.485 8.402 1.00 0.00 C ATOM 791 C GLY A 522 20.093 27.177 9.673 1.00 0.00 C ATOM 792 O GLY A 522 21.278 26.839 9.581 1.00 0.00 O ATOM 0 H GLY A 522 17.281 27.486 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 522 19.118 26.555 7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.893 28.123 7.753 1.00 0.00 H new ATOM 796 N GLN A 523 19.475 27.305 10.852 1.00 0.00 N ATOM 797 CA GLN A 523 20.058 26.921 12.140 1.00 0.00 C ATOM 798 C GLN A 523 19.700 25.449 12.464 1.00 0.00 C ATOM 799 O GLN A 523 19.153 24.717 11.629 1.00 0.00 O ATOM 800 CB GLN A 523 19.616 27.907 13.248 1.00 0.00 C ATOM 801 CG GLN A 523 19.649 29.393 12.841 1.00 0.00 C ATOM 802 CD GLN A 523 19.432 30.341 14.023 1.00 0.00 C ATOM 803 OE1 GLN A 523 19.984 30.187 15.108 1.00 0.00 O ATOM 804 NE2 GLN A 523 18.629 31.376 13.866 1.00 0.00 N ATOM 0 H GLN A 523 18.533 27.688 10.938 1.00 0.00 H new ATOM 0 HA GLN A 523 21.145 26.982 12.085 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.603 27.652 13.559 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.260 27.768 14.116 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.609 29.615 12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.881 29.576 12.090 1.00 0.00 H new ATOM 0 HE21 GLN A 523 18.159 31.526 12.973 1.00 0.00 H new ATOM 0 HE22 GLN A 523 18.479 32.026 14.637 1.00 0.00 H new ATOM 813 N GLU A 524 20.038 24.988 13.672 1.00 0.00 N ATOM 814 CA GLU A 524 19.682 23.657 14.190 1.00 0.00 C ATOM 815 C GLU A 524 19.401 23.737 15.702 1.00 0.00 C ATOM 816 O GLU A 524 19.904 24.633 16.392 1.00 0.00 O ATOM 817 CB GLU A 524 20.834 22.656 13.960 1.00 0.00 C ATOM 818 CG GLU A 524 21.300 22.477 12.505 1.00 0.00 C ATOM 819 CD GLU A 524 22.552 21.580 12.381 1.00 0.00 C ATOM 820 OE1 GLU A 524 23.471 21.657 13.234 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.652 20.807 11.397 1.00 0.00 O ATOM 0 H GLU A 524 20.580 25.541 14.336 1.00 0.00 H new ATOM 0 HA GLU A 524 18.793 23.317 13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.689 22.975 14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.524 21.683 14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.489 22.043 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.516 23.455 12.075 1.00 0.00 H new ATOM 828 N GLY A 525 18.657 22.770 16.247 1.00 0.00 N ATOM 829 CA GLY A 525 18.491 22.625 17.696 1.00 0.00 C ATOM 830 C GLY A 525 17.866 21.301 18.130 1.00 0.00 C ATOM 831 O GLY A 525 17.166 20.637 17.358 1.00 0.00 O ATOM 0 H GLY A 525 18.156 22.070 15.700 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.466 22.726 18.173 1.00 0.00 H new ATOM 0 HA3 GLY A 525 17.870 23.443 18.062 1.00 0.00 H new ATOM 835 N TYR A 526 18.120 20.929 19.386 1.00 0.00 N ATOM 836 CA TYR A 526 17.490 19.789 20.054 1.00 0.00 C ATOM 837 C TYR A 526 16.115 20.158 20.637 1.00 0.00 C ATOM 838 O TYR A 526 15.948 21.227 21.234 1.00 0.00 O ATOM 839 CB TYR A 526 18.420 19.278 21.163 1.00 0.00 C ATOM 840 CG TYR A 526 19.699 18.643 20.647 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.635 17.440 19.917 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.947 19.250 20.889 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.812 16.847 19.420 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.126 18.667 20.386 1.00 0.00 C ATOM 845 CZ TYR A 526 22.062 17.465 19.648 1.00 0.00 C ATOM 846 OH TYR A 526 23.204 16.908 19.162 1.00 0.00 O ATOM 0 H TYR A 526 18.785 21.424 19.981 1.00 0.00 H new ATOM 0 HA TYR A 526 17.327 19.004 19.316 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.677 20.109 21.820 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.882 18.548 21.768 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.679 16.970 19.738 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.000 20.164 21.461 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.759 15.922 18.866 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.080 19.140 20.565 1.00 0.00 H new ATOM 0 HH TYR A 526 23.971 17.465 19.411 1.00 0.00 H new ATOM 856 N VAL A 527 15.150 19.240 20.510 1.00 0.00 N ATOM 857 CA VAL A 527 13.782 19.328 21.065 1.00 0.00 C ATOM 858 C VAL A 527 13.248 17.933 21.443 1.00 0.00 C ATOM 859 O VAL A 527 13.653 16.943 20.824 1.00 0.00 O ATOM 860 CB VAL A 527 12.788 19.981 20.074 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.846 21.509 20.120 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.971 19.524 18.620 1.00 0.00 C ATOM 0 H VAL A 527 15.302 18.373 19.995 1.00 0.00 H new ATOM 0 HA VAL A 527 13.855 19.955 21.954 1.00 0.00 H new ATOM 0 HB VAL A 527 11.810 19.639 20.413 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.131 21.922 19.408 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.597 21.852 21.124 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.851 21.843 19.861 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.239 20.025 17.986 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.976 19.777 18.283 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.828 18.445 18.557 1.00 0.00 H new ATOM 872 N PRO A 528 12.337 17.813 22.429 1.00 0.00 N ATOM 873 CA PRO A 528 11.756 16.525 22.812 1.00 0.00 C ATOM 874 C PRO A 528 10.824 15.989 21.713 1.00 0.00 C ATOM 875 O PRO A 528 9.908 16.682 21.267 1.00 0.00 O ATOM 876 CB PRO A 528 11.010 16.783 24.127 1.00 0.00 C ATOM 877 CG PRO A 528 10.683 18.277 24.099 1.00 0.00 C ATOM 878 CD PRO A 528 11.795 18.889 23.251 1.00 0.00 C ATOM 0 HA PRO A 528 12.519 15.758 22.943 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.104 16.180 24.194 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.627 16.528 24.989 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.702 18.462 23.662 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.669 18.700 25.103 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.407 19.694 22.627 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.571 19.321 23.883 1.00 0.00 H new ATOM 886 N TYR A 529 11.016 14.731 21.299 1.00 0.00 N ATOM 887 CA TYR A 529 10.192 14.088 20.261 1.00 0.00 C ATOM 888 C TYR A 529 8.690 13.985 20.610 1.00 0.00 C ATOM 889 O TYR A 529 7.863 13.852 19.709 1.00 0.00 O ATOM 890 CB TYR A 529 10.761 12.700 19.914 1.00 0.00 C ATOM 891 CG TYR A 529 10.298 11.565 20.815 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.668 11.534 22.175 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.457 10.559 20.298 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.189 10.515 23.021 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.984 9.532 21.138 1.00 0.00 C ATOM 896 CZ TYR A 529 9.344 9.511 22.502 1.00 0.00 C ATOM 897 OH TYR A 529 8.865 8.528 23.313 1.00 0.00 O ATOM 0 H TYR A 529 11.748 14.127 21.673 1.00 0.00 H new ATOM 0 HA TYR A 529 10.245 14.743 19.392 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.489 12.460 18.886 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.849 12.752 19.952 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.323 12.296 22.571 1.00 0.00 H new ATOM 0 HD2 TYR A 529 9.175 10.576 19.256 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.468 10.502 24.064 1.00 0.00 H new ATOM 0 HE2 TYR A 529 8.345 8.759 20.737 1.00 0.00 H new ATOM 0 HH TYR A 529 8.298 7.921 22.792 1.00 0.00 H new ATOM 907 N ASN A 530 8.322 14.062 21.897 1.00 0.00 N ATOM 908 CA ASN A 530 6.944 13.915 22.385 1.00 0.00 C ATOM 909 C ASN A 530 5.965 14.986 21.852 1.00 0.00 C ATOM 910 O ASN A 530 4.802 14.673 21.580 1.00 0.00 O ATOM 911 CB ASN A 530 6.990 13.915 23.924 1.00 0.00 C ATOM 912 CG ASN A 530 5.611 13.767 24.547 1.00 0.00 C ATOM 913 OD1 ASN A 530 5.008 14.724 25.017 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.063 12.571 24.571 1.00 0.00 N ATOM 0 H ASN A 530 8.992 14.233 22.647 1.00 0.00 H new ATOM 0 HA ASN A 530 6.547 12.975 22.002 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.629 13.100 24.265 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.444 14.843 24.271 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.138 12.442 24.980 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.563 11.773 24.180 1.00 0.00 H new ATOM 921 N ILE A 531 6.423 16.236 21.686 1.00 0.00 N ATOM 922 CA ILE A 531 5.612 17.338 21.124 1.00 0.00 C ATOM 923 C ILE A 531 5.627 17.385 19.590 1.00 0.00 C ATOM 924 O ILE A 531 4.828 18.101 18.983 1.00 0.00 O ATOM 925 CB ILE A 531 6.067 18.707 21.663 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.549 18.998 21.333 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.805 18.784 23.180 1.00 0.00 C ATOM 928 CD1 ILE A 531 7.843 20.492 21.291 1.00 0.00 C ATOM 0 H ILE A 531 7.371 16.517 21.938 1.00 0.00 H new ATOM 0 HA ILE A 531 4.592 17.129 21.446 1.00 0.00 H new ATOM 0 HB ILE A 531 5.482 19.479 21.164 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.186 18.524 22.080 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.800 18.552 20.371 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.129 19.754 23.556 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.740 18.657 23.372 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.361 17.995 23.686 1.00 0.00 H new ATOM 0 HD11 ILE A 531 8.896 20.649 21.056 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.226 20.963 20.526 1.00 0.00 H new ATOM 0 HD13 ILE A 531 7.618 20.935 22.261 1.00 0.00 H new ATOM 940 N LEU A 532 6.546 16.654 18.959 1.00 0.00 N ATOM 941 CA LEU A 532 6.597 16.471 17.513 1.00 0.00 C ATOM 942 C LEU A 532 5.651 15.328 17.107 1.00 0.00 C ATOM 943 O LEU A 532 5.329 14.439 17.900 1.00 0.00 O ATOM 944 CB LEU A 532 8.048 16.185 17.068 1.00 0.00 C ATOM 945 CG LEU A 532 9.106 17.192 17.566 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.479 16.820 17.007 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.793 18.634 17.156 1.00 0.00 C ATOM 0 H LEU A 532 7.291 16.163 19.452 1.00 0.00 H new ATOM 0 HA LEU A 532 6.268 17.383 17.014 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.327 15.190 17.415 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.078 16.162 15.979 1.00 0.00 H new ATOM 0 HG LEU A 532 9.096 17.140 18.655 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.222 17.534 17.362 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.749 15.819 17.342 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.446 16.841 15.918 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.571 19.297 17.534 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.754 18.703 16.069 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.830 18.930 17.573 1.00 0.00 H new ATOM 959 N THR A 533 5.232 15.329 15.844 1.00 0.00 N ATOM 960 CA THR A 533 4.395 14.278 15.247 1.00 0.00 C ATOM 961 C THR A 533 4.835 14.006 13.804 1.00 0.00 C ATOM 962 O THR A 533 5.458 14.871 13.181 1.00 0.00 O ATOM 963 CB THR A 533 2.888 14.637 15.293 1.00 0.00 C ATOM 964 OG1 THR A 533 2.615 16.020 15.175 1.00 0.00 O ATOM 965 CG2 THR A 533 2.247 14.189 16.608 1.00 0.00 C ATOM 0 H THR A 533 5.467 16.074 15.188 1.00 0.00 H new ATOM 0 HA THR A 533 4.531 13.374 15.841 1.00 0.00 H new ATOM 0 HB THR A 533 2.472 14.114 14.432 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.310 16.445 14.630 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.190 14.456 16.607 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.348 13.109 16.713 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.745 14.683 17.442 1.00 0.00 H new ATOM 973 N PRO A 534 4.521 12.826 13.237 1.00 0.00 N ATOM 974 CA PRO A 534 4.743 12.576 11.815 1.00 0.00 C ATOM 975 C PRO A 534 3.911 13.539 10.954 1.00 0.00 C ATOM 976 O PRO A 534 2.923 14.120 11.418 1.00 0.00 O ATOM 977 CB PRO A 534 4.357 11.107 11.595 1.00 0.00 C ATOM 978 CG PRO A 534 3.343 10.829 12.703 1.00 0.00 C ATOM 979 CD PRO A 534 3.853 11.688 13.859 1.00 0.00 C ATOM 0 HA PRO A 534 5.778 12.750 11.520 1.00 0.00 H new ATOM 0 HB2 PRO A 534 3.924 10.951 10.607 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.223 10.450 11.671 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.333 11.111 12.406 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.314 9.772 12.968 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.031 12.016 14.496 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.541 11.127 14.491 1.00 0.00 H new ATOM 987 N TYR A 535 4.279 13.667 9.678 1.00 0.00 N ATOM 988 CA TYR A 535 3.528 14.443 8.685 1.00 0.00 C ATOM 989 C TYR A 535 3.029 13.523 7.551 1.00 0.00 C ATOM 990 O TYR A 535 3.641 13.464 6.477 1.00 0.00 O ATOM 991 CB TYR A 535 4.341 15.663 8.217 1.00 0.00 C ATOM 992 CG TYR A 535 3.592 16.609 7.287 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.248 16.967 7.542 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.241 17.128 6.148 1.00 0.00 C ATOM 995 CE1 TYR A 535 1.549 17.793 6.642 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.551 17.974 5.256 1.00 0.00 C ATOM 997 CZ TYR A 535 2.197 18.299 5.496 1.00 0.00 C ATOM 998 OH TYR A 535 1.514 19.097 4.631 1.00 0.00 O ATOM 0 H TYR A 535 5.118 13.229 9.298 1.00 0.00 H new ATOM 0 HA TYR A 535 2.629 14.860 9.139 1.00 0.00 H new ATOM 0 HB2 TYR A 535 4.669 16.222 9.094 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.239 15.311 7.709 1.00 0.00 H new ATOM 0 HD1 TYR A 535 1.755 16.605 8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.274 16.876 5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 535 0.514 18.040 6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.057 18.374 4.390 1.00 0.00 H new ATOM 0 HH TYR A 535 2.104 19.362 3.895 1.00 0.00 H new