USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=9 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 12:sc= 0.0137 USER MOD Single : A 486 ASN : amide:sc=-0.00981 K(o=-0.0098,f=-0.9) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 495 SER OG : rot -26:sc= 0.076 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.019) 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 28:sc= 1.27 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.436 14.604 7.431 1.00 0.00 N ATOM 118 CA TRP A 482 9.884 15.792 8.083 1.00 0.00 C ATOM 119 C TRP A 482 8.834 15.398 9.123 1.00 0.00 C ATOM 120 O TRP A 482 8.151 14.378 8.989 1.00 0.00 O ATOM 121 CB TRP A 482 9.271 16.738 7.042 1.00 0.00 C ATOM 122 CG TRP A 482 10.202 17.285 6.001 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.599 16.619 4.895 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.823 18.608 5.913 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.418 17.426 4.133 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.588 18.664 4.708 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.809 19.777 6.706 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.297 19.806 4.312 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.516 20.934 6.321 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.261 20.950 5.127 1.00 0.00 C ATOM 0 HA TRP A 482 10.696 16.311 8.592 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.465 16.209 6.534 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.818 17.578 7.569 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.317 15.607 4.645 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.845 17.140 3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.245 19.784 7.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.864 19.807 3.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.486 21.814 6.946 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.803 21.838 4.838 1.00 0.00 H new ATOM 141 N VAL A 483 8.680 16.244 10.138 1.00 0.00 N ATOM 142 CA VAL A 483 7.693 16.091 11.216 1.00 0.00 C ATOM 143 C VAL A 483 6.911 17.387 11.394 1.00 0.00 C ATOM 144 O VAL A 483 7.461 18.490 11.298 1.00 0.00 O ATOM 145 CB VAL A 483 8.340 15.635 12.542 1.00 0.00 C ATOM 146 CG1 VAL A 483 8.766 14.166 12.456 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.553 16.473 12.971 1.00 0.00 C ATOM 0 H VAL A 483 9.253 17.082 10.241 1.00 0.00 H new ATOM 0 HA VAL A 483 7.001 15.301 10.926 1.00 0.00 H new ATOM 0 HB VAL A 483 7.568 15.775 13.298 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.220 13.863 13.400 1.00 0.00 H new ATOM 0 HG12 VAL A 483 7.893 13.545 12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.489 14.044 11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 483 9.948 16.087 13.911 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.324 16.416 12.203 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.249 17.511 13.104 1.00 0.00 H new ATOM 157 N LEU A 484 5.609 17.242 11.641 1.00 0.00 N ATOM 158 CA LEU A 484 4.685 18.341 11.895 1.00 0.00 C ATOM 159 C LEU A 484 4.530 18.476 13.415 1.00 0.00 C ATOM 160 O LEU A 484 4.137 17.526 14.096 1.00 0.00 O ATOM 161 CB LEU A 484 3.361 18.066 11.147 1.00 0.00 C ATOM 162 CG LEU A 484 2.494 19.334 10.979 1.00 0.00 C ATOM 163 CD1 LEU A 484 1.526 19.178 9.809 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.696 19.678 12.239 1.00 0.00 C ATOM 0 H LEU A 484 5.157 16.328 11.670 1.00 0.00 H new ATOM 0 HA LEU A 484 5.052 19.296 11.518 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.584 17.651 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 484 2.792 17.312 11.690 1.00 0.00 H new ATOM 0 HG LEU A 484 3.189 20.151 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 484 0.926 20.083 9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 484 2.089 19.014 8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 484 0.871 18.326 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.106 20.577 12.062 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.031 18.850 12.486 1.00 0.00 H new ATOM 0 HD23 LEU A 484 2.382 19.852 13.068 1.00 0.00 H new ATOM 176 N CYS A 485 4.915 19.627 13.961 1.00 0.00 N ATOM 177 CA CYS A 485 4.889 19.888 15.401 1.00 0.00 C ATOM 178 C CYS A 485 3.451 19.825 15.963 1.00 0.00 C ATOM 179 O CYS A 485 2.546 20.477 15.439 1.00 0.00 O ATOM 180 CB CYS A 485 5.517 21.265 15.616 1.00 0.00 C ATOM 181 SG CYS A 485 5.771 21.586 17.379 1.00 0.00 S ATOM 0 H CYS A 485 5.258 20.415 13.411 1.00 0.00 H new ATOM 0 HA CYS A 485 5.451 19.124 15.938 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.470 21.321 15.090 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.872 22.034 15.191 1.00 0.00 H new ATOM 0 HG CYS A 485 5.595 20.487 18.050 1.00 0.00 H new ATOM 187 N ASN A 486 3.228 19.061 17.037 1.00 0.00 N ATOM 188 CA ASN A 486 1.909 18.916 17.661 1.00 0.00 C ATOM 189 C ASN A 486 1.631 20.010 18.718 1.00 0.00 C ATOM 190 O ASN A 486 0.477 20.400 18.910 1.00 0.00 O ATOM 191 CB ASN A 486 1.797 17.504 18.272 1.00 0.00 C ATOM 192 CG ASN A 486 0.364 16.992 18.395 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.611 17.609 17.981 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.185 15.811 18.944 1.00 0.00 N ATOM 0 H ASN A 486 3.961 18.523 17.500 1.00 0.00 H new ATOM 0 HA ASN A 486 1.148 19.044 16.892 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.369 16.808 17.659 1.00 0.00 H new ATOM 0 HB3 ASN A 486 2.256 17.510 19.261 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.754 15.421 19.020 1.00 0.00 H new ATOM 0 HD22 ASN A 486 0.986 15.284 19.294 1.00 0.00 H new ATOM 201 N TYR A 487 2.681 20.529 19.374 1.00 0.00 N ATOM 202 CA TYR A 487 2.592 21.538 20.443 1.00 0.00 C ATOM 203 C TYR A 487 3.829 22.450 20.459 1.00 0.00 C ATOM 204 O TYR A 487 4.962 21.967 20.447 1.00 0.00 O ATOM 205 CB TYR A 487 2.477 20.848 21.815 1.00 0.00 C ATOM 206 CG TYR A 487 1.342 19.850 21.957 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.052 20.287 22.315 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.576 18.482 21.707 1.00 0.00 C ATOM 209 CE1 TYR A 487 -1.005 19.361 22.413 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.523 17.554 21.798 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.774 17.992 22.150 1.00 0.00 C ATOM 212 OH TYR A 487 -1.801 17.105 22.235 1.00 0.00 O ATOM 0 H TYR A 487 3.641 20.251 19.171 1.00 0.00 H new ATOM 0 HA TYR A 487 1.707 22.143 20.247 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.416 20.335 22.023 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.358 21.617 22.579 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -0.127 21.333 22.515 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.568 18.145 21.445 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.993 19.698 22.689 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.705 16.508 21.599 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.475 16.206 22.023 1.00 0.00 H new ATOM 222 N ASP A 488 3.627 23.771 20.519 1.00 0.00 N ATOM 223 CA ASP A 488 4.723 24.744 20.634 1.00 0.00 C ATOM 224 C ASP A 488 5.574 24.569 21.913 1.00 0.00 C ATOM 225 O ASP A 488 5.090 24.102 22.952 1.00 0.00 O ATOM 226 CB ASP A 488 4.173 26.175 20.540 1.00 0.00 C ATOM 227 CG ASP A 488 3.365 26.599 21.776 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.168 26.232 21.879 1.00 0.00 O ATOM 229 OD2 ASP A 488 3.913 27.337 22.632 1.00 0.00 O ATOM 0 H ASP A 488 2.701 24.197 20.489 1.00 0.00 H new ATOM 0 HA ASP A 488 5.396 24.554 19.798 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.003 26.867 20.403 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.541 26.256 19.656 1.00 0.00 H new ATOM 234 N PHE A 489 6.845 24.978 21.840 1.00 0.00 N ATOM 235 CA PHE A 489 7.821 24.892 22.936 1.00 0.00 C ATOM 236 C PHE A 489 8.892 25.982 22.787 1.00 0.00 C ATOM 237 O PHE A 489 9.450 26.168 21.702 1.00 0.00 O ATOM 238 CB PHE A 489 8.449 23.488 22.920 1.00 0.00 C ATOM 239 CG PHE A 489 9.556 23.220 23.924 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.235 22.849 25.245 1.00 0.00 C ATOM 241 CD2 PHE A 489 10.908 23.267 23.525 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.257 22.540 26.162 1.00 0.00 C ATOM 243 CE2 PHE A 489 11.925 22.927 24.435 1.00 0.00 C ATOM 244 CZ PHE A 489 11.603 22.580 25.757 1.00 0.00 C ATOM 0 H PHE A 489 7.236 25.390 20.993 1.00 0.00 H new ATOM 0 HA PHE A 489 7.325 25.054 23.893 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.656 22.759 23.087 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.845 23.305 21.921 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.201 22.802 25.555 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.163 23.565 22.519 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.007 22.272 27.178 1.00 0.00 H new ATOM 0 HE2 PHE A 489 12.957 22.933 24.116 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.387 22.344 26.461 1.00 0.00 H new ATOM 254 N GLN A 490 9.184 26.699 23.876 1.00 0.00 N ATOM 255 CA GLN A 490 10.177 27.779 23.908 1.00 0.00 C ATOM 256 C GLN A 490 11.523 27.259 24.444 1.00 0.00 C ATOM 257 O GLN A 490 11.598 26.681 25.532 1.00 0.00 O ATOM 258 CB GLN A 490 9.626 28.948 24.742 1.00 0.00 C ATOM 259 CG GLN A 490 10.543 30.184 24.681 1.00 0.00 C ATOM 260 CD GLN A 490 9.970 31.406 25.405 1.00 0.00 C ATOM 261 OE1 GLN A 490 8.766 31.601 25.537 1.00 0.00 O ATOM 262 NE2 GLN A 490 10.810 32.290 25.904 1.00 0.00 N ATOM 0 H GLN A 490 8.730 26.543 24.776 1.00 0.00 H new ATOM 0 HA GLN A 490 10.364 28.144 22.898 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.633 29.215 24.380 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.513 28.632 25.779 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.509 29.932 25.119 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.724 30.441 23.637 1.00 0.00 H new ATOM 0 HE21 GLN A 490 11.816 32.150 25.807 1.00 0.00 H new ATOM 0 HE22 GLN A 490 10.455 33.115 26.388 1.00 0.00 H new ATOM 271 N ALA A 491 12.585 27.482 23.668 1.00 0.00 N ATOM 272 CA ALA A 491 13.939 26.981 23.915 1.00 0.00 C ATOM 273 C ALA A 491 14.978 27.900 23.236 1.00 0.00 C ATOM 274 O ALA A 491 14.920 28.102 22.023 1.00 0.00 O ATOM 275 CB ALA A 491 14.024 25.546 23.376 1.00 0.00 C ATOM 0 H ALA A 491 12.523 28.039 22.816 1.00 0.00 H new ATOM 0 HA ALA A 491 14.157 26.978 24.983 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.025 25.151 23.549 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.294 24.921 23.889 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.814 25.546 22.306 1.00 0.00 H new ATOM 330 N SER A 495 22.242 24.731 23.385 1.00 0.00 N ATOM 331 CA SER A 495 22.020 23.689 22.361 1.00 0.00 C ATOM 332 C SER A 495 20.532 23.439 22.028 1.00 0.00 C ATOM 333 O SER A 495 20.192 22.466 21.351 1.00 0.00 O ATOM 334 CB SER A 495 22.715 22.393 22.808 1.00 0.00 C ATOM 335 OG SER A 495 22.222 21.947 24.065 1.00 0.00 O ATOM 0 HA SER A 495 22.457 24.052 21.431 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.559 21.617 22.058 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.790 22.559 22.875 1.00 0.00 H new ATOM 0 HG SER A 495 21.880 22.712 24.573 1.00 0.00 H new ATOM 341 N GLU A 496 19.622 24.319 22.465 1.00 0.00 N ATOM 342 CA GLU A 496 18.165 24.167 22.311 1.00 0.00 C ATOM 343 C GLU A 496 17.583 25.267 21.403 1.00 0.00 C ATOM 344 O GLU A 496 18.112 26.381 21.331 1.00 0.00 O ATOM 345 CB GLU A 496 17.484 24.204 23.691 1.00 0.00 C ATOM 346 CG GLU A 496 17.825 23.002 24.579 1.00 0.00 C ATOM 347 CD GLU A 496 17.252 23.149 26.004 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.035 23.412 26.164 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.021 22.992 26.985 1.00 0.00 O ATOM 0 H GLU A 496 19.883 25.179 22.948 1.00 0.00 H new ATOM 0 HA GLU A 496 17.971 23.203 21.840 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.776 25.119 24.206 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.404 24.247 23.552 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.432 22.093 24.123 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.908 22.889 24.634 1.00 0.00 H new ATOM 356 N LEU A 497 16.472 24.957 20.724 1.00 0.00 N ATOM 357 CA LEU A 497 15.804 25.845 19.765 1.00 0.00 C ATOM 358 C LEU A 497 14.269 25.708 19.847 1.00 0.00 C ATOM 359 O LEU A 497 13.742 24.597 19.947 1.00 0.00 O ATOM 360 CB LEU A 497 16.320 25.483 18.363 1.00 0.00 C ATOM 361 CG LEU A 497 15.894 26.509 17.297 1.00 0.00 C ATOM 362 CD1 LEU A 497 17.057 27.417 16.889 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.346 25.787 16.075 1.00 0.00 C ATOM 0 H LEU A 497 16.001 24.059 20.829 1.00 0.00 H new ATOM 0 HA LEU A 497 16.032 26.886 19.995 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.408 25.417 18.385 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.946 24.498 18.085 1.00 0.00 H new ATOM 0 HG LEU A 497 15.117 27.138 17.731 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.717 28.127 16.135 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.418 27.960 17.762 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.865 26.811 16.478 1.00 0.00 H new ATOM 0 HD21 LEU A 497 15.046 26.518 15.324 1.00 0.00 H new ATOM 0 HD22 LEU A 497 16.116 25.137 15.661 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.482 25.188 16.363 1.00 0.00 H new ATOM 375 N SER A 498 13.547 26.832 19.802 1.00 0.00 N ATOM 376 CA SER A 498 12.079 26.887 19.866 1.00 0.00 C ATOM 377 C SER A 498 11.386 26.272 18.639 1.00 0.00 C ATOM 378 O SER A 498 11.946 26.228 17.538 1.00 0.00 O ATOM 379 CB SER A 498 11.610 28.338 20.050 1.00 0.00 C ATOM 380 OG SER A 498 12.069 29.178 19.000 1.00 0.00 O ATOM 0 H SER A 498 13.976 27.754 19.718 1.00 0.00 H new ATOM 0 HA SER A 498 11.790 26.283 20.726 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.521 28.366 20.088 1.00 0.00 H new ATOM 0 HB3 SER A 498 11.972 28.719 21.005 1.00 0.00 H new ATOM 0 HG SER A 498 11.750 30.093 19.150 1.00 0.00 H new ATOM 386 N VAL A 499 10.132 25.837 18.824 1.00 0.00 N ATOM 387 CA VAL A 499 9.263 25.274 17.769 1.00 0.00 C ATOM 388 C VAL A 499 7.800 25.705 17.938 1.00 0.00 C ATOM 389 O VAL A 499 7.382 26.122 19.022 1.00 0.00 O ATOM 390 CB VAL A 499 9.348 23.733 17.698 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.769 23.242 17.397 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.866 23.025 18.969 1.00 0.00 C ATOM 0 H VAL A 499 9.677 25.866 19.736 1.00 0.00 H new ATOM 0 HA VAL A 499 9.638 25.680 16.829 1.00 0.00 H new ATOM 0 HB VAL A 499 8.676 23.474 16.880 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.777 22.153 17.357 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.097 23.642 16.438 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.445 23.581 18.182 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.957 21.946 18.841 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.475 23.343 19.816 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.823 23.282 19.155 1.00 0.00 H new ATOM 402 N LYS A 500 7.014 25.578 16.861 1.00 0.00 N ATOM 403 CA LYS A 500 5.606 26.011 16.758 1.00 0.00 C ATOM 404 C LYS A 500 4.775 24.969 16.017 1.00 0.00 C ATOM 405 O LYS A 500 5.272 24.326 15.099 1.00 0.00 O ATOM 406 CB LYS A 500 5.529 27.342 15.979 1.00 0.00 C ATOM 407 CG LYS A 500 6.245 28.523 16.645 1.00 0.00 C ATOM 408 CD LYS A 500 5.515 29.032 17.893 1.00 0.00 C ATOM 409 CE LYS A 500 6.297 30.193 18.518 1.00 0.00 C ATOM 410 NZ LYS A 500 5.586 30.757 19.697 1.00 0.00 N ATOM 0 H LYS A 500 7.353 25.153 15.998 1.00 0.00 H new ATOM 0 HA LYS A 500 5.213 26.137 17.767 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.955 27.191 14.987 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.480 27.604 15.839 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.256 28.222 16.919 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.338 29.337 15.927 1.00 0.00 H new ATOM 0 HD2 LYS A 500 4.510 29.360 17.628 1.00 0.00 H new ATOM 0 HD3 LYS A 500 5.407 28.224 18.616 1.00 0.00 H new ATOM 0 HE2 LYS A 500 7.286 29.847 18.819 1.00 0.00 H new ATOM 0 HE3 LYS A 500 6.446 30.975 17.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 6.142 31.540 20.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 4.653 31.109 19.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 5.466 30.016 20.417 1.00 0.00 H new ATOM 424 N GLN A 501 3.482 24.890 16.336 1.00 0.00 N ATOM 425 CA GLN A 501 2.517 23.920 15.777 1.00 0.00 C ATOM 426 C GLN A 501 2.355 23.996 14.237 1.00 0.00 C ATOM 427 O GLN A 501 1.852 23.068 13.601 1.00 0.00 O ATOM 428 CB GLN A 501 1.168 24.135 16.491 1.00 0.00 C ATOM 429 CG GLN A 501 0.165 22.982 16.318 1.00 0.00 C ATOM 430 CD GLN A 501 -1.204 23.342 16.892 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.429 23.359 18.096 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.173 23.665 16.056 1.00 0.00 N ATOM 0 H GLN A 501 3.055 25.520 17.015 1.00 0.00 H new ATOM 0 HA GLN A 501 2.905 22.917 15.957 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.354 24.282 17.555 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.715 25.053 16.117 1.00 0.00 H new ATOM 0 HG2 GLN A 501 0.065 22.741 15.260 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.546 22.089 16.814 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.003 23.656 15.050 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.092 23.923 16.416 1.00 0.00 H new ATOM 441 N ARG A 502 2.816 25.095 13.627 1.00 0.00 N ATOM 442 CA ARG A 502 2.735 25.393 12.186 1.00 0.00 C ATOM 443 C ARG A 502 4.108 25.532 11.509 1.00 0.00 C ATOM 444 O ARG A 502 4.193 25.964 10.359 1.00 0.00 O ATOM 445 CB ARG A 502 1.807 26.602 11.966 1.00 0.00 C ATOM 446 CG ARG A 502 2.274 27.879 12.693 1.00 0.00 C ATOM 447 CD ARG A 502 1.363 29.078 12.400 1.00 0.00 C ATOM 448 NE ARG A 502 1.543 29.586 11.024 1.00 0.00 N ATOM 449 CZ ARG A 502 0.799 30.495 10.419 1.00 0.00 C ATOM 450 NH1 ARG A 502 -0.239 31.040 10.990 1.00 0.00 N ATOM 451 NH2 ARG A 502 1.092 30.883 9.209 1.00 0.00 N ATOM 0 H ARG A 502 3.279 25.839 14.148 1.00 0.00 H new ATOM 0 HA ARG A 502 2.294 24.533 11.682 1.00 0.00 H new ATOM 0 HB2 ARG A 502 1.738 26.807 10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 502 0.804 26.346 12.307 1.00 0.00 H new ATOM 0 HG2 ARG A 502 2.297 27.696 13.767 1.00 0.00 H new ATOM 0 HG3 ARG A 502 3.293 28.116 12.389 1.00 0.00 H new ATOM 0 HD2 ARG A 502 0.323 28.787 12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 502 1.574 29.876 13.112 1.00 0.00 H new ATOM 0 HE ARG A 502 2.318 29.196 10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -0.502 30.768 11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -0.788 31.739 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 502 1.898 30.485 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 502 0.516 31.585 8.745 1.00 0.00 H new ATOM 465 N ASP A 503 5.168 25.116 12.203 1.00 0.00 N ATOM 466 CA ASP A 503 6.531 25.012 11.672 1.00 0.00 C ATOM 467 C ASP A 503 6.861 23.525 11.448 1.00 0.00 C ATOM 468 O ASP A 503 7.078 22.767 12.397 1.00 0.00 O ATOM 469 CB ASP A 503 7.545 25.687 12.617 1.00 0.00 C ATOM 470 CG ASP A 503 7.627 27.217 12.445 1.00 0.00 C ATOM 471 OD1 ASP A 503 6.581 27.900 12.325 1.00 0.00 O ATOM 472 OD2 ASP A 503 8.762 27.753 12.438 1.00 0.00 O ATOM 0 H ASP A 503 5.101 24.833 13.181 1.00 0.00 H new ATOM 0 HA ASP A 503 6.597 25.537 10.719 1.00 0.00 H new ATOM 0 HB2 ASP A 503 7.275 25.460 13.648 1.00 0.00 H new ATOM 0 HB3 ASP A 503 8.532 25.257 12.444 1.00 0.00 H new ATOM 477 N VAL A 504 6.859 23.099 10.180 1.00 0.00 N ATOM 478 CA VAL A 504 7.344 21.771 9.757 1.00 0.00 C ATOM 479 C VAL A 504 8.880 21.765 9.807 1.00 0.00 C ATOM 480 O VAL A 504 9.515 22.743 9.400 1.00 0.00 O ATOM 481 CB VAL A 504 6.850 21.420 8.335 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.064 19.933 8.032 1.00 0.00 C ATOM 483 CG2 VAL A 504 5.351 21.697 8.135 1.00 0.00 C ATOM 0 H VAL A 504 6.518 23.670 9.406 1.00 0.00 H new ATOM 0 HA VAL A 504 6.947 21.016 10.435 1.00 0.00 H new ATOM 0 HB VAL A 504 7.432 22.055 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.708 19.712 7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 504 8.126 19.697 8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 504 6.510 19.331 8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 504 5.064 21.431 7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 504 4.773 21.102 8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 504 5.151 22.755 8.303 1.00 0.00 H new ATOM 493 N LEU A 505 9.488 20.679 10.297 1.00 0.00 N ATOM 494 CA LEU A 505 10.928 20.603 10.607 1.00 0.00 C ATOM 495 C LEU A 505 11.555 19.318 10.044 1.00 0.00 C ATOM 496 O LEU A 505 10.893 18.280 9.981 1.00 0.00 O ATOM 497 CB LEU A 505 11.116 20.664 12.137 1.00 0.00 C ATOM 498 CG LEU A 505 10.567 21.936 12.811 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.509 21.759 14.324 1.00 0.00 C ATOM 500 CD2 LEU A 505 11.413 23.173 12.503 1.00 0.00 C ATOM 0 H LEU A 505 8.989 19.812 10.494 1.00 0.00 H new ATOM 0 HA LEU A 505 11.433 21.447 10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.630 19.796 12.582 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.180 20.583 12.361 1.00 0.00 H new ATOM 0 HG LEU A 505 9.567 22.089 12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 505 10.119 22.668 14.782 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.856 20.921 14.568 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.511 21.562 14.706 1.00 0.00 H new ATOM 0 HD21 LEU A 505 10.983 24.041 13.002 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.431 23.016 12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 505 11.429 23.344 11.427 1.00 0.00 H new ATOM 512 N GLU A 506 12.832 19.378 9.649 1.00 0.00 N ATOM 513 CA GLU A 506 13.540 18.257 9.012 1.00 0.00 C ATOM 514 C GLU A 506 14.383 17.505 10.045 1.00 0.00 C ATOM 515 O GLU A 506 15.268 18.091 10.674 1.00 0.00 O ATOM 516 CB GLU A 506 14.412 18.765 7.850 1.00 0.00 C ATOM 517 CG GLU A 506 14.999 17.608 7.029 1.00 0.00 C ATOM 518 CD GLU A 506 16.009 18.089 5.964 1.00 0.00 C ATOM 519 OE1 GLU A 506 15.701 19.020 5.180 1.00 0.00 O ATOM 520 OE2 GLU A 506 17.122 17.513 5.882 1.00 0.00 O ATOM 0 H GLU A 506 13.409 20.211 9.762 1.00 0.00 H new ATOM 0 HA GLU A 506 12.805 17.563 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.815 19.405 7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.222 19.378 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.492 16.904 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.189 17.068 6.539 1.00 0.00 H new ATOM 527 N VAL A 507 14.102 16.213 10.228 1.00 0.00 N ATOM 528 CA VAL A 507 14.787 15.339 11.192 1.00 0.00 C ATOM 529 C VAL A 507 16.211 15.026 10.721 1.00 0.00 C ATOM 530 O VAL A 507 16.418 14.591 9.584 1.00 0.00 O ATOM 531 CB VAL A 507 13.999 14.031 11.409 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.634 13.174 12.515 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.543 14.308 11.812 1.00 0.00 C ATOM 0 H VAL A 507 13.375 15.731 9.699 1.00 0.00 H new ATOM 0 HA VAL A 507 14.842 15.869 12.143 1.00 0.00 H new ATOM 0 HB VAL A 507 14.026 13.499 10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 507 14.055 12.259 12.644 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.657 12.920 12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.641 13.734 13.450 1.00 0.00 H new ATOM 0 HG21 VAL A 507 12.019 13.363 11.956 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.525 14.878 12.741 1.00 0.00 H new ATOM 0 HG23 VAL A 507 12.050 14.880 11.026 1.00 0.00 H new ATOM 543 N LEU A 508 17.187 15.205 11.616 1.00 0.00 N ATOM 544 CA LEU A 508 18.618 14.989 11.357 1.00 0.00 C ATOM 545 C LEU A 508 19.184 13.821 12.178 1.00 0.00 C ATOM 546 O LEU A 508 20.032 13.071 11.688 1.00 0.00 O ATOM 547 CB LEU A 508 19.410 16.263 11.709 1.00 0.00 C ATOM 548 CG LEU A 508 18.864 17.590 11.155 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.774 18.716 11.641 1.00 0.00 C ATOM 550 CD2 LEU A 508 18.792 17.606 9.628 1.00 0.00 C ATOM 0 H LEU A 508 17.000 15.513 12.570 1.00 0.00 H new ATOM 0 HA LEU A 508 18.720 14.749 10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.461 16.343 12.795 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.432 16.139 11.350 1.00 0.00 H new ATOM 0 HG LEU A 508 17.844 17.720 11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.408 19.670 11.261 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.777 18.737 12.731 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.788 18.546 11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.400 18.566 9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 508 19.790 17.457 9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.135 16.806 9.286 1.00 0.00 H new ATOM 562 N ASP A 509 18.709 13.660 13.418 1.00 0.00 N ATOM 563 CA ASP A 509 19.126 12.605 14.344 1.00 0.00 C ATOM 564 C ASP A 509 17.993 12.259 15.331 1.00 0.00 C ATOM 565 O ASP A 509 17.296 13.145 15.835 1.00 0.00 O ATOM 566 CB ASP A 509 20.382 13.063 15.102 1.00 0.00 C ATOM 567 CG ASP A 509 21.052 11.894 15.842 1.00 0.00 C ATOM 568 OD1 ASP A 509 20.607 11.545 16.961 1.00 0.00 O ATOM 569 OD2 ASP A 509 22.025 11.317 15.300 1.00 0.00 O ATOM 0 H ASP A 509 18.003 14.280 13.815 1.00 0.00 H new ATOM 0 HA ASP A 509 19.356 11.704 13.775 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.090 13.505 14.401 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.113 13.841 15.817 1.00 0.00 H new ATOM 574 N ASP A 510 17.830 10.965 15.608 1.00 0.00 N ATOM 575 CA ASP A 510 16.758 10.376 16.424 1.00 0.00 C ATOM 576 C ASP A 510 17.285 9.341 17.449 1.00 0.00 C ATOM 577 O ASP A 510 16.537 8.479 17.919 1.00 0.00 O ATOM 578 CB ASP A 510 15.682 9.781 15.491 1.00 0.00 C ATOM 579 CG ASP A 510 16.117 8.488 14.770 1.00 0.00 C ATOM 580 OD1 ASP A 510 17.197 8.462 14.127 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.360 7.487 14.808 1.00 0.00 O ATOM 0 H ASP A 510 18.474 10.259 15.252 1.00 0.00 H new ATOM 0 HA ASP A 510 16.308 11.166 17.026 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.785 9.574 16.074 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.412 10.527 14.744 1.00 0.00 H new ATOM 586 N SER A 511 18.584 9.398 17.786 1.00 0.00 N ATOM 587 CA SER A 511 19.266 8.460 18.697 1.00 0.00 C ATOM 588 C SER A 511 18.643 8.402 20.105 1.00 0.00 C ATOM 589 O SER A 511 18.538 7.324 20.702 1.00 0.00 O ATOM 590 CB SER A 511 20.748 8.856 18.796 1.00 0.00 C ATOM 591 OG SER A 511 21.487 7.931 19.575 1.00 0.00 O ATOM 0 H SER A 511 19.208 10.118 17.422 1.00 0.00 H new ATOM 0 HA SER A 511 19.152 7.461 18.276 1.00 0.00 H new ATOM 0 HB2 SER A 511 21.177 8.914 17.796 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.830 9.850 19.236 1.00 0.00 H new ATOM 0 HG SER A 511 22.425 8.213 19.615 1.00 0.00 H new ATOM 597 N ARG A 512 18.191 9.554 20.624 1.00 0.00 N ATOM 598 CA ARG A 512 17.599 9.750 21.962 1.00 0.00 C ATOM 599 C ARG A 512 16.284 10.538 21.888 1.00 0.00 C ATOM 600 O ARG A 512 15.914 11.020 20.819 1.00 0.00 O ATOM 601 CB ARG A 512 18.634 10.484 22.842 1.00 0.00 C ATOM 602 CG ARG A 512 19.947 9.709 23.043 1.00 0.00 C ATOM 603 CD ARG A 512 19.761 8.491 23.957 1.00 0.00 C ATOM 604 NE ARG A 512 21.014 7.726 24.108 1.00 0.00 N ATOM 605 CZ ARG A 512 21.226 6.725 24.946 1.00 0.00 C ATOM 606 NH1 ARG A 512 20.317 6.318 25.790 1.00 0.00 N ATOM 607 NH2 ARG A 512 22.370 6.102 24.950 1.00 0.00 N ATOM 0 H ARG A 512 18.230 10.424 20.094 1.00 0.00 H new ATOM 0 HA ARG A 512 17.356 8.781 22.398 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.860 11.450 22.390 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.190 10.684 23.817 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.326 9.381 22.075 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.698 10.373 23.472 1.00 0.00 H new ATOM 0 HD2 ARG A 512 19.415 8.821 24.937 1.00 0.00 H new ATOM 0 HD3 ARG A 512 18.986 7.843 23.547 1.00 0.00 H new ATOM 0 HE ARG A 512 21.793 7.996 23.507 1.00 0.00 H new ATOM 0 HH11 ARG A 512 19.406 6.776 25.818 1.00 0.00 H new ATOM 0 HH12 ARG A 512 20.518 5.542 26.421 1.00 0.00 H new ATOM 0 HH21 ARG A 512 23.107 6.386 24.305 1.00 0.00 H new ATOM 0 HH22 ARG A 512 22.528 5.331 25.598 1.00 0.00 H new ATOM 621 N LYS A 513 15.592 10.700 23.027 1.00 0.00 N ATOM 622 CA LYS A 513 14.313 11.442 23.148 1.00 0.00 C ATOM 623 C LYS A 513 14.389 12.870 22.598 1.00 0.00 C ATOM 624 O LYS A 513 13.428 13.361 22.009 1.00 0.00 O ATOM 625 CB LYS A 513 13.862 11.512 24.619 1.00 0.00 C ATOM 626 CG LYS A 513 13.669 10.145 25.289 1.00 0.00 C ATOM 627 CD LYS A 513 13.158 10.344 26.723 1.00 0.00 C ATOM 628 CE LYS A 513 13.134 9.012 27.479 1.00 0.00 C ATOM 629 NZ LYS A 513 12.695 9.198 28.887 1.00 0.00 N ATOM 0 H LYS A 513 15.909 10.311 23.915 1.00 0.00 H new ATOM 0 HA LYS A 513 13.592 10.886 22.549 1.00 0.00 H new ATOM 0 HB2 LYS A 513 14.600 12.080 25.186 1.00 0.00 H new ATOM 0 HB3 LYS A 513 12.924 12.065 24.673 1.00 0.00 H new ATOM 0 HG2 LYS A 513 12.959 9.546 24.719 1.00 0.00 H new ATOM 0 HG3 LYS A 513 14.611 9.598 25.300 1.00 0.00 H new ATOM 0 HD2 LYS A 513 13.798 11.054 27.247 1.00 0.00 H new ATOM 0 HD3 LYS A 513 12.156 10.774 26.701 1.00 0.00 H new ATOM 0 HE2 LYS A 513 12.462 8.317 26.975 1.00 0.00 H new ATOM 0 HE3 LYS A 513 14.127 8.564 27.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 12.689 8.279 29.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 13.351 9.842 29.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 11.737 9.604 28.901 1.00 0.00 H new ATOM 643 N TRP A 514 15.531 13.527 22.786 1.00 0.00 N ATOM 644 CA TRP A 514 15.850 14.826 22.195 1.00 0.00 C ATOM 645 C TRP A 514 16.267 14.650 20.726 1.00 0.00 C ATOM 646 O TRP A 514 17.442 14.428 20.420 1.00 0.00 O ATOM 647 CB TRP A 514 16.925 15.522 23.037 1.00 0.00 C ATOM 648 CG TRP A 514 16.474 15.914 24.414 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.517 15.131 25.516 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.885 17.180 24.849 1.00 0.00 C ATOM 651 NE1 TRP A 514 15.980 15.812 26.592 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.568 17.078 26.238 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.587 18.405 24.213 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.972 18.130 26.952 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.999 19.471 24.920 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.685 19.334 26.285 1.00 0.00 C ATOM 0 H TRP A 514 16.282 13.160 23.370 1.00 0.00 H new ATOM 0 HA TRP A 514 14.968 15.467 22.198 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.786 14.860 23.124 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.261 16.415 22.510 1.00 0.00 H new ATOM 0 HD1 TRP A 514 16.911 14.126 25.550 1.00 0.00 H new ATOM 0 HE1 TRP A 514 15.899 15.425 27.532 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.814 18.526 23.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.737 18.016 28.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.787 20.400 24.412 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.225 20.152 26.819 1.00 0.00 H new ATOM 667 N TRP A 515 15.292 14.705 19.816 1.00 0.00 N ATOM 668 CA TRP A 515 15.537 14.690 18.370 1.00 0.00 C ATOM 669 C TRP A 515 16.230 15.989 17.938 1.00 0.00 C ATOM 670 O TRP A 515 15.921 17.073 18.446 1.00 0.00 O ATOM 671 CB TRP A 515 14.220 14.479 17.600 1.00 0.00 C ATOM 672 CG TRP A 515 13.670 13.078 17.601 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.905 12.141 18.546 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.815 12.417 16.611 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.284 10.956 18.219 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.592 11.068 17.034 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.209 12.812 15.398 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.823 10.159 16.290 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.436 11.906 14.643 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.249 10.583 15.080 1.00 0.00 C ATOM 0 H TRP A 515 14.304 14.762 20.062 1.00 0.00 H new ATOM 0 HA TRP A 515 16.198 13.856 18.133 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.466 15.144 18.021 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.374 14.786 16.566 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.498 12.299 19.435 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.331 10.106 18.781 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.340 13.824 15.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.675 9.149 16.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.983 12.232 13.719 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.666 9.894 14.487 1.00 0.00 H new ATOM 691 N LYS A 516 17.153 15.881 16.975 1.00 0.00 N ATOM 692 CA LYS A 516 17.818 17.032 16.349 1.00 0.00 C ATOM 693 C LYS A 516 17.142 17.342 15.018 1.00 0.00 C ATOM 694 O LYS A 516 16.935 16.441 14.199 1.00 0.00 O ATOM 695 CB LYS A 516 19.322 16.760 16.178 1.00 0.00 C ATOM 696 CG LYS A 516 20.094 18.084 16.035 1.00 0.00 C ATOM 697 CD LYS A 516 21.613 17.900 15.924 1.00 0.00 C ATOM 698 CE LYS A 516 22.034 17.239 14.604 1.00 0.00 C ATOM 699 NZ LYS A 516 23.515 17.204 14.468 1.00 0.00 N ATOM 0 H LYS A 516 17.463 14.983 16.604 1.00 0.00 H new ATOM 0 HA LYS A 516 17.723 17.906 16.993 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.697 16.204 17.037 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.488 16.138 15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.735 18.611 15.151 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.875 18.717 16.895 1.00 0.00 H new ATOM 0 HD2 LYS A 516 22.100 18.871 16.011 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.963 17.292 16.758 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.638 16.224 14.560 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.602 17.786 13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.770 16.752 13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 23.888 18.174 14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.923 16.661 15.255 1.00 0.00 H new ATOM 713 N VAL A 517 16.812 18.611 14.798 1.00 0.00 N ATOM 714 CA VAL A 517 16.058 19.088 13.627 1.00 0.00 C ATOM 715 C VAL A 517 16.674 20.372 13.065 1.00 0.00 C ATOM 716 O VAL A 517 17.267 21.164 13.807 1.00 0.00 O ATOM 717 CB VAL A 517 14.561 19.283 13.954 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.895 17.984 14.427 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.297 20.364 15.011 1.00 0.00 C ATOM 0 H VAL A 517 17.065 19.361 15.442 1.00 0.00 H new ATOM 0 HA VAL A 517 16.124 18.318 12.858 1.00 0.00 H new ATOM 0 HB VAL A 517 14.124 19.606 13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.844 18.172 14.645 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.974 17.229 13.645 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.394 17.627 15.328 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.225 20.445 15.189 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.800 20.095 15.940 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.679 21.321 14.656 1.00 0.00 H new ATOM 729 N ARG A 518 16.520 20.589 11.752 1.00 0.00 N ATOM 730 CA ARG A 518 16.906 21.831 11.067 1.00 0.00 C ATOM 731 C ARG A 518 15.663 22.699 10.866 1.00 0.00 C ATOM 732 O ARG A 518 14.703 22.294 10.206 1.00 0.00 O ATOM 733 CB ARG A 518 17.568 21.517 9.713 1.00 0.00 C ATOM 734 CG ARG A 518 18.383 22.704 9.172 1.00 0.00 C ATOM 735 CD ARG A 518 18.867 22.473 7.735 1.00 0.00 C ATOM 736 NE ARG A 518 19.746 21.290 7.618 1.00 0.00 N ATOM 737 CZ ARG A 518 20.043 20.637 6.506 1.00 0.00 C ATOM 738 NH1 ARG A 518 19.618 21.024 5.335 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.793 19.572 6.549 1.00 0.00 N ATOM 0 H ARG A 518 16.116 19.894 11.124 1.00 0.00 H new ATOM 0 HA ARG A 518 17.630 22.371 11.678 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.221 20.651 9.822 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.799 21.247 8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.773 23.606 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 518 19.243 22.876 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 518 18.005 22.347 7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.404 23.356 7.389 1.00 0.00 H new ATOM 0 HE ARG A 518 20.165 20.942 8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 518 19.035 21.857 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 518 19.869 20.494 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 518 21.154 19.238 7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 518 21.019 19.072 5.689 1.00 0.00 H new ATOM 753 N ASP A 519 15.680 23.882 11.458 1.00 0.00 N ATOM 754 CA ASP A 519 14.692 24.945 11.236 1.00 0.00 C ATOM 755 C ASP A 519 14.864 25.653 9.868 1.00 0.00 C ATOM 756 O ASP A 519 15.948 25.609 9.274 1.00 0.00 O ATOM 757 CB ASP A 519 14.809 25.955 12.384 1.00 0.00 C ATOM 758 CG ASP A 519 16.241 26.486 12.514 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.602 27.436 11.780 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.995 25.923 13.337 1.00 0.00 O ATOM 0 H ASP A 519 16.402 24.145 12.129 1.00 0.00 H new ATOM 0 HA ASP A 519 13.700 24.494 11.216 1.00 0.00 H new ATOM 0 HB2 ASP A 519 14.125 26.786 12.211 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.508 25.483 13.319 1.00 0.00 H new ATOM 765 N PRO A 520 13.821 26.343 9.361 1.00 0.00 N ATOM 766 CA PRO A 520 13.875 27.050 8.076 1.00 0.00 C ATOM 767 C PRO A 520 14.744 28.324 8.064 1.00 0.00 C ATOM 768 O PRO A 520 15.030 28.846 6.982 1.00 0.00 O ATOM 769 CB PRO A 520 12.415 27.361 7.730 1.00 0.00 C ATOM 770 CG PRO A 520 11.726 27.440 9.089 1.00 0.00 C ATOM 771 CD PRO A 520 12.463 26.374 9.894 1.00 0.00 C ATOM 0 HA PRO A 520 14.366 26.419 7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.325 28.298 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.978 26.583 7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.825 28.428 9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.659 27.229 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.465 26.618 10.956 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.980 25.402 9.791 1.00 0.00 H new ATOM 779 N ALA A 521 15.190 28.830 9.221 1.00 0.00 N ATOM 780 CA ALA A 521 16.127 29.961 9.300 1.00 0.00 C ATOM 781 C ALA A 521 17.577 29.561 8.955 1.00 0.00 C ATOM 782 O ALA A 521 18.390 30.422 8.603 1.00 0.00 O ATOM 783 CB ALA A 521 16.061 30.598 10.696 1.00 0.00 C ATOM 0 H ALA A 521 14.911 28.466 10.132 1.00 0.00 H new ATOM 0 HA ALA A 521 15.819 30.689 8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.757 31.435 10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.049 30.956 10.885 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.330 29.856 11.448 1.00 0.00 H new ATOM 789 N GLY A 522 17.903 28.265 9.044 1.00 0.00 N ATOM 790 CA GLY A 522 19.207 27.694 8.691 1.00 0.00 C ATOM 791 C GLY A 522 20.066 27.279 9.893 1.00 0.00 C ATOM 792 O GLY A 522 21.262 27.025 9.720 1.00 0.00 O ATOM 0 H GLY A 522 17.242 27.562 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 522 19.048 26.823 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.761 28.423 8.099 1.00 0.00 H new ATOM 796 N GLN A 523 19.491 27.228 11.099 1.00 0.00 N ATOM 797 CA GLN A 523 20.174 26.809 12.330 1.00 0.00 C ATOM 798 C GLN A 523 19.878 25.321 12.650 1.00 0.00 C ATOM 799 O GLN A 523 19.291 24.595 11.838 1.00 0.00 O ATOM 800 CB GLN A 523 19.817 27.766 13.495 1.00 0.00 C ATOM 801 CG GLN A 523 19.850 29.260 13.114 1.00 0.00 C ATOM 802 CD GLN A 523 20.071 30.186 14.314 1.00 0.00 C ATOM 803 OE1 GLN A 523 19.575 29.980 15.416 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.837 31.248 14.153 1.00 0.00 N ATOM 0 H GLN A 523 18.515 27.483 11.251 1.00 0.00 H new ATOM 0 HA GLN A 523 21.252 26.878 12.184 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.822 27.518 13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.512 27.596 14.317 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.644 29.425 12.386 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.911 29.525 12.628 1.00 0.00 H new ATOM 0 HE21 GLN A 523 21.260 31.439 13.245 1.00 0.00 H new ATOM 0 HE22 GLN A 523 21.006 31.878 14.937 1.00 0.00 H new ATOM 813 N GLU A 524 20.311 24.844 13.821 1.00 0.00 N ATOM 814 CA GLU A 524 19.972 23.519 14.367 1.00 0.00 C ATOM 815 C GLU A 524 19.763 23.599 15.891 1.00 0.00 C ATOM 816 O GLU A 524 20.350 24.448 16.572 1.00 0.00 O ATOM 817 CB GLU A 524 21.094 22.500 14.083 1.00 0.00 C ATOM 818 CG GLU A 524 21.214 22.062 12.616 1.00 0.00 C ATOM 819 CD GLU A 524 22.368 21.061 12.380 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.751 20.296 13.301 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.910 21.031 11.248 1.00 0.00 O ATOM 0 H GLU A 524 20.924 25.381 14.435 1.00 0.00 H new ATOM 0 HA GLU A 524 19.052 23.194 13.881 1.00 0.00 H new ATOM 0 HB2 GLU A 524 22.045 22.931 14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.926 21.616 14.698 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.275 21.608 12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.369 22.941 11.991 1.00 0.00 H new ATOM 828 N GLY A 525 18.971 22.675 16.441 1.00 0.00 N ATOM 829 CA GLY A 525 18.807 22.507 17.888 1.00 0.00 C ATOM 830 C GLY A 525 18.084 21.216 18.277 1.00 0.00 C ATOM 831 O GLY A 525 17.520 20.515 17.429 1.00 0.00 O ATOM 0 H GLY A 525 18.421 22.016 15.890 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.789 22.520 18.360 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.252 23.358 18.283 1.00 0.00 H new ATOM 835 N TYR A 526 18.101 20.917 19.576 1.00 0.00 N ATOM 836 CA TYR A 526 17.451 19.743 20.164 1.00 0.00 C ATOM 837 C TYR A 526 16.076 20.088 20.764 1.00 0.00 C ATOM 838 O TYR A 526 15.917 21.126 21.414 1.00 0.00 O ATOM 839 CB TYR A 526 18.373 19.164 21.244 1.00 0.00 C ATOM 840 CG TYR A 526 19.617 18.476 20.708 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.511 17.203 20.118 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.878 19.093 20.817 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.661 16.537 19.654 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.031 18.440 20.338 1.00 0.00 C ATOM 845 CZ TYR A 526 21.927 17.156 19.762 1.00 0.00 C ATOM 846 OH TYR A 526 23.045 16.520 19.320 1.00 0.00 O ATOM 0 H TYR A 526 18.578 21.497 20.266 1.00 0.00 H new ATOM 0 HA TYR A 526 17.279 19.008 19.378 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.678 19.969 21.913 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.807 18.450 21.842 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.543 16.735 20.021 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.962 20.070 21.269 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.576 15.554 19.216 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.995 18.922 20.412 1.00 0.00 H new ATOM 0 HH TYR A 526 23.827 17.091 19.471 1.00 0.00 H new ATOM 856 N VAL A 527 15.104 19.181 20.594 1.00 0.00 N ATOM 857 CA VAL A 527 13.738 19.246 21.162 1.00 0.00 C ATOM 858 C VAL A 527 13.185 17.839 21.455 1.00 0.00 C ATOM 859 O VAL A 527 13.569 16.886 20.772 1.00 0.00 O ATOM 860 CB VAL A 527 12.742 19.970 20.226 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.865 21.488 20.346 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.862 19.569 18.748 1.00 0.00 C ATOM 0 H VAL A 527 15.249 18.342 20.033 1.00 0.00 H new ATOM 0 HA VAL A 527 13.831 19.814 22.088 1.00 0.00 H new ATOM 0 HB VAL A 527 11.759 19.646 20.567 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.151 21.965 19.675 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.656 21.790 21.372 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.876 21.794 20.077 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.129 20.122 18.160 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.865 19.801 18.388 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.678 18.500 18.645 1.00 0.00 H new ATOM 872 N PRO A 528 12.279 17.668 22.440 1.00 0.00 N ATOM 873 CA PRO A 528 11.709 16.361 22.762 1.00 0.00 C ATOM 874 C PRO A 528 10.796 15.836 21.639 1.00 0.00 C ATOM 875 O PRO A 528 9.975 16.570 21.090 1.00 0.00 O ATOM 876 CB PRO A 528 10.944 16.563 24.077 1.00 0.00 C ATOM 877 CG PRO A 528 10.594 18.052 24.090 1.00 0.00 C ATOM 878 CD PRO A 528 11.752 18.696 23.331 1.00 0.00 C ATOM 0 HA PRO A 528 12.486 15.603 22.865 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.048 15.944 24.114 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.555 16.291 24.938 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.638 18.244 23.603 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.516 18.437 25.107 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.412 19.564 22.766 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.521 19.046 24.019 1.00 0.00 H new ATOM 886 N TYR A 529 10.888 14.541 21.325 1.00 0.00 N ATOM 887 CA TYR A 529 10.033 13.880 20.327 1.00 0.00 C ATOM 888 C TYR A 529 8.533 13.874 20.687 1.00 0.00 C ATOM 889 O TYR A 529 7.686 13.793 19.798 1.00 0.00 O ATOM 890 CB TYR A 529 10.533 12.448 20.077 1.00 0.00 C ATOM 891 CG TYR A 529 10.054 11.404 21.077 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.573 11.375 22.385 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.067 10.475 20.695 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.119 10.415 23.310 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.613 9.507 21.613 1.00 0.00 C ATOM 896 CZ TYR A 529 9.138 9.473 22.923 1.00 0.00 C ATOM 897 OH TYR A 529 8.693 8.539 23.805 1.00 0.00 O ATOM 0 H TYR A 529 11.564 13.913 21.759 1.00 0.00 H new ATOM 0 HA TYR A 529 10.113 14.472 19.415 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.220 12.141 19.079 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.623 12.456 20.080 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.324 12.093 22.681 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.657 10.504 19.696 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.519 10.398 24.313 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.862 8.790 21.314 1.00 0.00 H new ATOM 0 HH TYR A 529 8.019 7.974 23.372 1.00 0.00 H new ATOM 907 N ASN A 530 8.190 13.981 21.979 1.00 0.00 N ATOM 908 CA ASN A 530 6.812 13.912 22.486 1.00 0.00 C ATOM 909 C ASN A 530 5.877 15.012 21.934 1.00 0.00 C ATOM 910 O ASN A 530 4.669 14.794 21.821 1.00 0.00 O ATOM 911 CB ASN A 530 6.875 13.951 24.023 1.00 0.00 C ATOM 912 CG ASN A 530 5.513 13.708 24.660 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.953 12.621 24.590 1.00 0.00 O ATOM 914 ND2 ASN A 530 4.934 14.699 25.302 1.00 0.00 N ATOM 0 H ASN A 530 8.879 14.121 22.718 1.00 0.00 H new ATOM 0 HA ASN A 530 6.368 12.981 22.133 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.579 13.197 24.376 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.257 14.920 24.345 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.023 14.560 25.739 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.396 15.606 25.363 1.00 0.00 H new ATOM 921 N ILE A 531 6.428 16.177 21.564 1.00 0.00 N ATOM 922 CA ILE A 531 5.682 17.316 20.988 1.00 0.00 C ATOM 923 C ILE A 531 5.717 17.346 19.451 1.00 0.00 C ATOM 924 O ILE A 531 5.259 18.310 18.837 1.00 0.00 O ATOM 925 CB ILE A 531 6.155 18.661 21.588 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.630 18.952 21.243 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.894 18.674 23.105 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.121 20.335 21.675 1.00 0.00 C ATOM 0 H ILE A 531 7.427 16.362 21.657 1.00 0.00 H new ATOM 0 HA ILE A 531 4.639 17.167 21.266 1.00 0.00 H new ATOM 0 HB ILE A 531 5.577 19.469 21.139 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.256 18.194 21.714 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.765 18.853 20.166 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.229 19.623 23.524 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.827 18.551 23.292 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.441 17.857 23.575 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.167 20.454 21.393 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.523 21.103 21.184 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.023 20.435 22.756 1.00 0.00 H new ATOM 940 N LEU A 532 6.246 16.299 18.814 1.00 0.00 N ATOM 941 CA LEU A 532 6.358 16.152 17.363 1.00 0.00 C ATOM 942 C LEU A 532 5.476 14.982 16.895 1.00 0.00 C ATOM 943 O LEU A 532 5.304 13.987 17.603 1.00 0.00 O ATOM 944 CB LEU A 532 7.841 15.937 16.977 1.00 0.00 C ATOM 945 CG LEU A 532 8.821 17.016 17.486 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.257 16.660 17.105 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.508 18.403 16.915 1.00 0.00 C ATOM 0 H LEU A 532 6.624 15.497 19.318 1.00 0.00 H new ATOM 0 HA LEU A 532 6.009 17.057 16.866 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.162 14.969 17.361 1.00 0.00 H new ATOM 0 HB3 LEU A 532 7.913 15.889 15.890 1.00 0.00 H new ATOM 0 HG LEU A 532 8.706 17.046 18.570 1.00 0.00 H new ATOM 0 HD11 LEU A 532 10.933 17.432 17.472 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.525 15.702 17.550 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.339 16.592 16.020 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.225 19.126 17.303 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.576 18.373 15.828 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.500 18.698 17.208 1.00 0.00 H new ATOM 959 N THR A 533 4.928 15.094 15.686 1.00 0.00 N ATOM 960 CA THR A 533 4.063 14.074 15.062 1.00 0.00 C ATOM 961 C THR A 533 4.476 13.825 13.608 1.00 0.00 C ATOM 962 O THR A 533 5.086 14.703 12.986 1.00 0.00 O ATOM 963 CB THR A 533 2.562 14.450 15.146 1.00 0.00 C ATOM 964 OG1 THR A 533 2.295 15.837 15.097 1.00 0.00 O ATOM 965 CG2 THR A 533 1.946 13.950 16.454 1.00 0.00 C ATOM 0 H THR A 533 5.072 15.912 15.094 1.00 0.00 H new ATOM 0 HA THR A 533 4.198 13.152 15.627 1.00 0.00 H new ATOM 0 HB THR A 533 2.129 13.976 14.265 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.005 16.289 14.595 1.00 0.00 H new ATOM 0 HG21 THR A 533 0.892 14.226 16.489 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.039 12.865 16.509 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.468 14.402 17.298 1.00 0.00 H new ATOM 973 N PRO A 534 4.166 12.645 13.035 1.00 0.00 N ATOM 974 CA PRO A 534 4.467 12.360 11.634 1.00 0.00 C ATOM 975 C PRO A 534 3.684 13.293 10.697 1.00 0.00 C ATOM 976 O PRO A 534 2.681 13.901 11.089 1.00 0.00 O ATOM 977 CB PRO A 534 4.107 10.882 11.433 1.00 0.00 C ATOM 978 CG PRO A 534 3.026 10.628 12.480 1.00 0.00 C ATOM 979 CD PRO A 534 3.463 11.519 13.642 1.00 0.00 C ATOM 0 HA PRO A 534 5.515 12.538 11.393 1.00 0.00 H new ATOM 0 HB2 PRO A 534 3.740 10.693 10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 534 4.971 10.235 11.584 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.036 10.899 12.113 1.00 0.00 H new ATOM 0 HG3 PRO A 534 2.982 9.578 12.770 1.00 0.00 H new ATOM 0 HD2 PRO A 534 2.603 11.860 14.219 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.113 10.976 14.329 1.00 0.00 H new ATOM 987 N TYR A 535 4.117 13.366 9.437 1.00 0.00 N ATOM 988 CA TYR A 535 3.474 14.169 8.392 1.00 0.00 C ATOM 989 C TYR A 535 3.040 13.284 7.202 1.00 0.00 C ATOM 990 O TYR A 535 3.657 13.325 6.131 1.00 0.00 O ATOM 991 CB TYR A 535 4.370 15.362 8.018 1.00 0.00 C ATOM 992 CG TYR A 535 3.727 16.359 7.065 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.422 16.840 7.306 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.435 16.811 5.933 1.00 0.00 C ATOM 995 CE1 TYR A 535 1.820 17.748 6.415 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.837 17.721 5.038 1.00 0.00 C ATOM 997 CZ TYR A 535 2.525 18.187 5.274 1.00 0.00 C ATOM 998 OH TYR A 535 1.950 19.061 4.404 1.00 0.00 O ATOM 0 H TYR A 535 4.939 12.860 9.107 1.00 0.00 H new ATOM 0 HA TYR A 535 2.547 14.601 8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 535 4.658 15.884 8.930 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.286 14.984 7.565 1.00 0.00 H new ATOM 0 HD1 TYR A 535 1.882 16.509 8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.440 16.459 5.751 1.00 0.00 H new ATOM 0 HE1 TYR A 535 0.820 18.108 6.604 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.383 18.062 4.171 1.00 0.00 H new ATOM 0 HH TYR A 535 2.576 19.257 3.676 1.00 0.00 H new