USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 485 CYS SG : rot -90:sc= -0.103 USER MOD Single : A 486 ASN : amide:sc= -0.0143 K(o=-0.014,f=-0.98) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 SER OG : rot 34:sc= 0.0638 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ 154:sc= 0.878 (180deg=0.46) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=-0.35) 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 K(o=0,f=-0.93) 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=-0.074) USER MOD Single : A 533 THR OG1 : rot 20:sc= 1.12 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.280 14.647 7.358 1.00 0.00 N ATOM 118 CA TRP A 482 9.806 15.842 8.060 1.00 0.00 C ATOM 119 C TRP A 482 8.817 15.454 9.162 1.00 0.00 C ATOM 120 O TRP A 482 8.098 14.456 9.061 1.00 0.00 O ATOM 121 CB TRP A 482 9.151 16.822 7.071 1.00 0.00 C ATOM 122 CG TRP A 482 10.022 17.390 5.986 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.448 16.716 4.894 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.541 18.751 5.830 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.159 17.559 4.062 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.244 18.829 4.588 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.489 19.930 6.606 1.00 0.00 C ATOM 128 CZ2 TRP A 482 11.847 20.012 4.133 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.092 21.124 6.162 1.00 0.00 C ATOM 130 CH2 TRP A 482 11.768 21.168 4.928 1.00 0.00 C ATOM 0 HA TRP A 482 10.662 16.337 8.520 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.311 16.313 6.598 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.739 17.653 7.643 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.260 15.670 4.700 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.569 17.277 3.172 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.978 19.916 7.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.364 20.033 3.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.035 22.012 6.773 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.225 22.088 4.593 1.00 0.00 H new ATOM 141 N VAL A 483 8.776 16.275 10.208 1.00 0.00 N ATOM 142 CA VAL A 483 7.983 16.060 11.422 1.00 0.00 C ATOM 143 C VAL A 483 7.261 17.356 11.782 1.00 0.00 C ATOM 144 O VAL A 483 7.872 18.345 12.195 1.00 0.00 O ATOM 145 CB VAL A 483 8.840 15.530 12.595 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.113 14.032 12.419 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.205 16.223 12.771 1.00 0.00 C ATOM 0 H VAL A 483 9.313 17.142 10.238 1.00 0.00 H new ATOM 0 HA VAL A 483 7.243 15.284 11.224 1.00 0.00 H new ATOM 0 HB VAL A 483 8.244 15.746 13.482 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.717 13.672 13.252 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.168 13.490 12.396 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.649 13.867 11.484 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.730 15.782 13.618 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.799 16.091 11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 483 10.052 17.287 12.953 1.00 0.00 H new ATOM 157 N LEU A 484 5.943 17.369 11.570 1.00 0.00 N ATOM 158 CA LEU A 484 5.083 18.461 12.009 1.00 0.00 C ATOM 159 C LEU A 484 5.083 18.517 13.544 1.00 0.00 C ATOM 160 O LEU A 484 4.882 17.500 14.211 1.00 0.00 O ATOM 161 CB LEU A 484 3.660 18.236 11.459 1.00 0.00 C ATOM 162 CG LEU A 484 2.763 19.481 11.592 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.081 20.508 10.509 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.283 19.109 11.494 1.00 0.00 C ATOM 0 H LEU A 484 5.445 16.620 11.088 1.00 0.00 H new ATOM 0 HA LEU A 484 5.452 19.414 11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.723 17.950 10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.198 17.403 11.989 1.00 0.00 H new ATOM 0 HG LEU A 484 2.965 19.913 12.572 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.432 21.376 10.629 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.122 20.819 10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 484 2.916 20.064 9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.675 20.008 11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.088 18.642 10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 484 1.030 18.411 12.292 1.00 0.00 H new ATOM 176 N CYS A 485 5.282 19.697 14.122 1.00 0.00 N ATOM 177 CA CYS A 485 5.030 19.915 15.546 1.00 0.00 C ATOM 178 C CYS A 485 3.528 19.787 15.886 1.00 0.00 C ATOM 179 O CYS A 485 2.664 20.047 15.049 1.00 0.00 O ATOM 180 CB CYS A 485 5.575 21.301 15.891 1.00 0.00 C ATOM 181 SG CYS A 485 7.384 21.232 16.008 1.00 0.00 S ATOM 0 H CYS A 485 5.619 20.522 13.625 1.00 0.00 H new ATOM 0 HA CYS A 485 5.531 19.153 16.143 1.00 0.00 H new ATOM 0 HB2 CYS A 485 5.277 22.020 15.128 1.00 0.00 H new ATOM 0 HB3 CYS A 485 5.152 21.644 16.835 1.00 0.00 H new ATOM 0 HG CYS A 485 7.730 20.955 17.230 1.00 0.00 H new ATOM 187 N ASN A 486 3.206 19.438 17.137 1.00 0.00 N ATOM 188 CA ASN A 486 1.828 19.382 17.654 1.00 0.00 C ATOM 189 C ASN A 486 1.570 20.418 18.769 1.00 0.00 C ATOM 190 O ASN A 486 0.417 20.727 19.075 1.00 0.00 O ATOM 191 CB ASN A 486 1.535 17.945 18.133 1.00 0.00 C ATOM 192 CG ASN A 486 0.053 17.582 18.149 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.809 18.247 17.588 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.295 16.476 18.770 1.00 0.00 N ATOM 0 H ASN A 486 3.906 19.182 17.833 1.00 0.00 H new ATOM 0 HA ASN A 486 1.144 19.645 16.847 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.063 17.244 17.487 1.00 0.00 H new ATOM 0 HB3 ASN A 486 1.940 17.819 19.137 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -1.272 16.182 18.780 1.00 0.00 H new ATOM 0 HD22 ASN A 486 0.412 15.912 19.242 1.00 0.00 H new ATOM 201 N TYR A 487 2.639 20.982 19.347 1.00 0.00 N ATOM 202 CA TYR A 487 2.610 21.960 20.441 1.00 0.00 C ATOM 203 C TYR A 487 3.809 22.921 20.345 1.00 0.00 C ATOM 204 O TYR A 487 4.872 22.560 19.834 1.00 0.00 O ATOM 205 CB TYR A 487 2.644 21.220 21.791 1.00 0.00 C ATOM 206 CG TYR A 487 1.486 20.259 22.011 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.255 20.740 22.499 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.622 18.898 21.663 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.843 19.868 22.626 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.524 18.024 21.782 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.714 18.509 22.262 1.00 0.00 C ATOM 212 OH TYR A 487 -1.787 17.678 22.369 1.00 0.00 O ATOM 0 H TYR A 487 3.589 20.759 19.051 1.00 0.00 H new ATOM 0 HA TYR A 487 1.693 22.544 20.364 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.579 20.665 21.864 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.647 21.956 22.595 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.154 21.779 22.776 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.570 18.526 21.305 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.785 20.238 23.002 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.628 16.985 21.507 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.533 16.777 22.078 1.00 0.00 H new ATOM 222 N ASP A 488 3.649 24.144 20.856 1.00 0.00 N ATOM 223 CA ASP A 488 4.762 25.078 21.079 1.00 0.00 C ATOM 224 C ASP A 488 5.716 24.579 22.185 1.00 0.00 C ATOM 225 O ASP A 488 5.296 23.970 23.176 1.00 0.00 O ATOM 226 CB ASP A 488 4.187 26.471 21.398 1.00 0.00 C ATOM 227 CG ASP A 488 5.193 27.460 22.024 1.00 0.00 C ATOM 228 OD1 ASP A 488 5.362 27.444 23.268 1.00 0.00 O ATOM 229 OD2 ASP A 488 5.774 28.291 21.289 1.00 0.00 O ATOM 0 H ASP A 488 2.740 24.519 21.129 1.00 0.00 H new ATOM 0 HA ASP A 488 5.364 25.142 20.172 1.00 0.00 H new ATOM 0 HB2 ASP A 488 3.796 26.906 20.478 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.344 26.353 22.079 1.00 0.00 H new ATOM 234 N PHE A 489 7.005 24.878 22.016 1.00 0.00 N ATOM 235 CA PHE A 489 8.064 24.671 23.007 1.00 0.00 C ATOM 236 C PHE A 489 9.139 25.743 22.806 1.00 0.00 C ATOM 237 O PHE A 489 9.841 25.741 21.795 1.00 0.00 O ATOM 238 CB PHE A 489 8.641 23.256 22.850 1.00 0.00 C ATOM 239 CG PHE A 489 9.801 22.889 23.763 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.563 22.516 25.101 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.118 22.869 23.263 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.633 22.120 25.927 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.183 22.456 24.083 1.00 0.00 C ATOM 244 CZ PHE A 489 11.942 22.086 25.416 1.00 0.00 C ATOM 0 H PHE A 489 7.355 25.288 21.150 1.00 0.00 H new ATOM 0 HA PHE A 489 7.669 24.760 24.019 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.837 22.540 23.016 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.968 23.134 21.817 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.557 22.534 25.494 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.311 23.172 22.245 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.447 21.842 26.954 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.187 22.423 23.687 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.761 21.776 26.048 1.00 0.00 H new ATOM 254 N GLN A 490 9.238 26.691 23.740 1.00 0.00 N ATOM 255 CA GLN A 490 10.249 27.752 23.711 1.00 0.00 C ATOM 256 C GLN A 490 11.581 27.226 24.282 1.00 0.00 C ATOM 257 O GLN A 490 11.631 26.759 25.423 1.00 0.00 O ATOM 258 CB GLN A 490 9.714 28.968 24.487 1.00 0.00 C ATOM 259 CG GLN A 490 10.556 30.229 24.239 1.00 0.00 C ATOM 260 CD GLN A 490 9.964 31.443 24.955 1.00 0.00 C ATOM 261 OE1 GLN A 490 10.284 31.745 26.099 1.00 0.00 O ATOM 262 NE2 GLN A 490 9.074 32.184 24.324 1.00 0.00 N ATOM 0 H GLN A 490 8.614 26.745 24.545 1.00 0.00 H new ATOM 0 HA GLN A 490 10.448 28.067 22.686 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.682 29.159 24.194 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.706 28.742 25.553 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.576 30.062 24.585 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.611 30.427 23.169 1.00 0.00 H new ATOM 0 HE21 GLN A 490 8.796 31.947 23.372 1.00 0.00 H new ATOM 0 HE22 GLN A 490 8.663 32.994 24.788 1.00 0.00 H new ATOM 271 N ALA A 491 12.657 27.298 23.489 1.00 0.00 N ATOM 272 CA ALA A 491 13.965 26.720 23.818 1.00 0.00 C ATOM 273 C ALA A 491 15.114 27.570 23.250 1.00 0.00 C ATOM 274 O ALA A 491 15.219 27.750 22.035 1.00 0.00 O ATOM 275 CB ALA A 491 14.024 25.296 23.280 1.00 0.00 C ATOM 0 H ALA A 491 12.642 27.768 22.584 1.00 0.00 H new ATOM 0 HA ALA A 491 14.086 26.706 24.901 1.00 0.00 H new ATOM 0 HB1 ALA A 491 14.992 24.857 23.519 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.233 24.701 23.737 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.889 25.310 22.198 1.00 0.00 H new ATOM 330 N SER A 495 22.118 25.205 22.889 1.00 0.00 N ATOM 331 CA SER A 495 22.081 24.398 21.645 1.00 0.00 C ATOM 332 C SER A 495 20.678 23.819 21.368 1.00 0.00 C ATOM 333 O SER A 495 20.508 22.822 20.665 1.00 0.00 O ATOM 334 CB SER A 495 23.139 23.285 21.707 1.00 0.00 C ATOM 335 OG SER A 495 24.443 23.822 21.887 1.00 0.00 O ATOM 0 HA SER A 495 22.315 25.060 20.811 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.907 22.605 22.527 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.108 22.699 20.788 1.00 0.00 H new ATOM 0 HG SER A 495 24.391 24.630 22.439 1.00 0.00 H new ATOM 341 N GLU A 496 19.656 24.457 21.940 1.00 0.00 N ATOM 342 CA GLU A 496 18.230 24.180 21.749 1.00 0.00 C ATOM 343 C GLU A 496 17.586 25.282 20.884 1.00 0.00 C ATOM 344 O GLU A 496 18.148 26.372 20.729 1.00 0.00 O ATOM 345 CB GLU A 496 17.557 24.118 23.129 1.00 0.00 C ATOM 346 CG GLU A 496 17.890 22.835 23.900 1.00 0.00 C ATOM 347 CD GLU A 496 17.452 22.897 25.377 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.273 23.214 25.666 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.293 22.617 26.268 1.00 0.00 O ATOM 0 H GLU A 496 19.810 25.229 22.589 1.00 0.00 H new ATOM 0 HA GLU A 496 18.100 23.228 21.234 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.868 24.981 23.718 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.477 24.190 23.004 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.403 21.989 23.416 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.964 22.655 23.851 1.00 0.00 H new ATOM 356 N LEU A 497 16.400 25.007 20.326 1.00 0.00 N ATOM 357 CA LEU A 497 15.683 25.929 19.439 1.00 0.00 C ATOM 358 C LEU A 497 14.161 25.836 19.631 1.00 0.00 C ATOM 359 O LEU A 497 13.599 24.739 19.699 1.00 0.00 O ATOM 360 CB LEU A 497 16.067 25.583 17.986 1.00 0.00 C ATOM 361 CG LEU A 497 15.536 26.595 16.951 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.633 27.569 16.520 1.00 0.00 C ATOM 363 CD2 LEU A 497 14.987 25.870 15.726 1.00 0.00 C ATOM 0 H LEU A 497 15.907 24.128 20.480 1.00 0.00 H new ATOM 0 HA LEU A 497 15.966 26.954 19.677 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.153 25.532 17.908 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.683 24.592 17.743 1.00 0.00 H new ATOM 0 HG LEU A 497 14.733 27.161 17.424 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.230 28.271 15.790 1.00 0.00 H new ATOM 0 HD12 LEU A 497 16.995 28.118 17.390 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.457 27.014 16.073 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.617 26.600 15.007 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.780 25.279 15.268 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.172 25.212 16.027 1.00 0.00 H new ATOM 375 N SER A 498 13.496 26.991 19.702 1.00 0.00 N ATOM 376 CA SER A 498 12.038 27.093 19.799 1.00 0.00 C ATOM 377 C SER A 498 11.310 26.509 18.576 1.00 0.00 C ATOM 378 O SER A 498 11.814 26.546 17.448 1.00 0.00 O ATOM 379 CB SER A 498 11.607 28.549 20.031 1.00 0.00 C ATOM 380 OG SER A 498 12.097 29.412 19.017 1.00 0.00 O ATOM 0 H SER A 498 13.964 27.897 19.694 1.00 0.00 H new ATOM 0 HA SER A 498 11.746 26.490 20.658 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.519 28.605 20.062 1.00 0.00 H new ATOM 0 HB3 SER A 498 11.971 28.885 21.002 1.00 0.00 H new ATOM 0 HG SER A 498 11.802 30.329 19.197 1.00 0.00 H new ATOM 386 N VAL A 499 10.088 26.013 18.802 1.00 0.00 N ATOM 387 CA VAL A 499 9.181 25.468 17.776 1.00 0.00 C ATOM 388 C VAL A 499 7.731 25.826 18.118 1.00 0.00 C ATOM 389 O VAL A 499 7.411 26.085 19.281 1.00 0.00 O ATOM 390 CB VAL A 499 9.325 23.936 17.604 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.731 23.513 17.167 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.961 23.133 18.863 1.00 0.00 C ATOM 0 H VAL A 499 9.685 25.977 19.738 1.00 0.00 H new ATOM 0 HA VAL A 499 9.461 25.922 16.825 1.00 0.00 H new ATOM 0 HB VAL A 499 8.608 23.703 16.817 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.769 22.429 17.064 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.970 23.977 16.210 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.456 23.832 17.916 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.087 22.069 18.665 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.614 23.429 19.684 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.924 23.332 19.134 1.00 0.00 H new ATOM 402 N LYS A 500 6.847 25.816 17.113 1.00 0.00 N ATOM 403 CA LYS A 500 5.418 26.183 17.219 1.00 0.00 C ATOM 404 C LYS A 500 4.537 25.023 16.756 1.00 0.00 C ATOM 405 O LYS A 500 4.980 24.195 15.971 1.00 0.00 O ATOM 406 CB LYS A 500 5.110 27.409 16.328 1.00 0.00 C ATOM 407 CG LYS A 500 6.103 28.582 16.365 1.00 0.00 C ATOM 408 CD LYS A 500 6.363 29.235 17.730 1.00 0.00 C ATOM 409 CE LYS A 500 5.057 29.616 18.429 1.00 0.00 C ATOM 410 NZ LYS A 500 5.298 30.513 19.587 1.00 0.00 N ATOM 0 H LYS A 500 7.111 25.543 16.166 1.00 0.00 H new ATOM 0 HA LYS A 500 5.209 26.418 18.263 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.035 27.065 15.297 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.128 27.791 16.609 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.057 28.231 15.971 1.00 0.00 H new ATOM 0 HG3 LYS A 500 5.742 29.353 15.684 1.00 0.00 H new ATOM 0 HD2 LYS A 500 6.927 28.548 18.361 1.00 0.00 H new ATOM 0 HD3 LYS A 500 6.978 30.125 17.597 1.00 0.00 H new ATOM 0 HE2 LYS A 500 4.394 30.109 17.718 1.00 0.00 H new ATOM 0 HE3 LYS A 500 4.548 28.713 18.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 4.451 31.090 19.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 5.508 29.942 20.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 6.105 31.136 19.381 1.00 0.00 H new ATOM 424 N GLN A 501 3.256 25.028 17.121 1.00 0.00 N ATOM 425 CA GLN A 501 2.272 23.997 16.721 1.00 0.00 C ATOM 426 C GLN A 501 2.056 23.874 15.193 1.00 0.00 C ATOM 427 O GLN A 501 1.551 22.855 14.719 1.00 0.00 O ATOM 428 CB GLN A 501 0.957 24.263 17.484 1.00 0.00 C ATOM 429 CG GLN A 501 -0.207 23.335 17.085 1.00 0.00 C ATOM 430 CD GLN A 501 -1.409 23.377 18.031 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.511 24.182 18.950 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.386 22.518 17.823 1.00 0.00 N ATOM 0 H GLN A 501 2.856 25.756 17.713 1.00 0.00 H new ATOM 0 HA GLN A 501 2.675 23.022 16.996 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.142 24.155 18.553 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.656 25.297 17.316 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.541 23.603 16.083 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.163 22.311 17.034 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.317 21.842 17.063 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.211 22.529 18.422 1.00 0.00 H new ATOM 441 N ARG A 502 2.468 24.880 14.408 1.00 0.00 N ATOM 442 CA ARG A 502 2.368 24.894 12.934 1.00 0.00 C ATOM 443 C ARG A 502 3.737 24.948 12.238 1.00 0.00 C ATOM 444 O ARG A 502 3.810 25.166 11.029 1.00 0.00 O ATOM 445 CB ARG A 502 1.431 26.029 12.468 1.00 0.00 C ATOM 446 CG ARG A 502 -0.030 25.881 12.941 1.00 0.00 C ATOM 447 CD ARG A 502 -0.347 26.536 14.297 1.00 0.00 C ATOM 448 NE ARG A 502 -0.190 28.006 14.261 1.00 0.00 N ATOM 449 CZ ARG A 502 -1.062 28.894 13.811 1.00 0.00 C ATOM 450 NH1 ARG A 502 -2.226 28.554 13.327 1.00 0.00 N ATOM 451 NH2 ARG A 502 -0.776 30.165 13.837 1.00 0.00 N ATOM 0 H ARG A 502 2.890 25.728 14.785 1.00 0.00 H new ATOM 0 HA ARG A 502 1.929 23.944 12.631 1.00 0.00 H new ATOM 0 HB2 ARG A 502 1.823 26.980 12.830 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.445 26.072 11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.686 26.312 12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 502 -0.270 24.819 13.003 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -1.368 26.289 14.587 1.00 0.00 H new ATOM 0 HD3 ARG A 502 0.311 26.121 15.061 1.00 0.00 H new ATOM 0 HE ARG A 502 0.688 28.377 14.623 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.493 27.571 13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -2.868 29.272 12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 502 0.122 30.478 14.205 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -1.450 30.847 13.489 1.00 0.00 H new ATOM 465 N ASP A 503 4.826 24.756 12.986 1.00 0.00 N ATOM 466 CA ASP A 503 6.181 24.721 12.429 1.00 0.00 C ATOM 467 C ASP A 503 6.476 23.344 11.793 1.00 0.00 C ATOM 468 O ASP A 503 6.089 22.301 12.333 1.00 0.00 O ATOM 469 CB ASP A 503 7.181 25.084 13.540 1.00 0.00 C ATOM 470 CG ASP A 503 8.557 25.559 13.035 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.764 25.694 11.802 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.418 25.856 13.892 1.00 0.00 O ATOM 0 H ASP A 503 4.793 24.620 13.996 1.00 0.00 H new ATOM 0 HA ASP A 503 6.278 25.453 11.628 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.746 25.868 14.160 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.324 24.214 14.180 1.00 0.00 H new ATOM 477 N VAL A 504 7.170 23.339 10.648 1.00 0.00 N ATOM 478 CA VAL A 504 7.515 22.136 9.868 1.00 0.00 C ATOM 479 C VAL A 504 9.040 22.047 9.765 1.00 0.00 C ATOM 480 O VAL A 504 9.682 22.948 9.217 1.00 0.00 O ATOM 481 CB VAL A 504 6.896 22.127 8.447 1.00 0.00 C ATOM 482 CG1 VAL A 504 6.813 20.681 7.932 1.00 0.00 C ATOM 483 CG2 VAL A 504 5.492 22.741 8.352 1.00 0.00 C ATOM 0 H VAL A 504 7.520 24.198 10.222 1.00 0.00 H new ATOM 0 HA VAL A 504 7.099 21.274 10.390 1.00 0.00 H new ATOM 0 HB VAL A 504 7.557 22.748 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.378 20.675 6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.814 20.250 7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 504 6.189 20.091 8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 504 5.142 22.690 7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 504 4.808 22.187 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 504 5.528 23.782 8.672 1.00 0.00 H new ATOM 493 N LEU A 505 9.624 20.973 10.305 1.00 0.00 N ATOM 494 CA LEU A 505 11.079 20.800 10.428 1.00 0.00 C ATOM 495 C LEU A 505 11.510 19.397 9.972 1.00 0.00 C ATOM 496 O LEU A 505 10.709 18.457 9.965 1.00 0.00 O ATOM 497 CB LEU A 505 11.548 21.068 11.877 1.00 0.00 C ATOM 498 CG LEU A 505 11.021 22.367 12.528 1.00 0.00 C ATOM 499 CD1 LEU A 505 9.791 22.093 13.403 1.00 0.00 C ATOM 500 CD2 LEU A 505 12.080 23.005 13.431 1.00 0.00 C ATOM 0 H LEU A 505 9.092 20.185 10.676 1.00 0.00 H new ATOM 0 HA LEU A 505 11.556 21.530 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 505 11.246 20.225 12.498 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.638 21.096 11.886 1.00 0.00 H new ATOM 0 HG LEU A 505 10.764 23.036 11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 505 9.445 23.027 13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 505 8.997 21.666 12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 505 10.056 21.392 14.194 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.679 23.917 13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.352 22.306 14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 505 12.964 23.247 12.841 1.00 0.00 H new ATOM 512 N GLU A 506 12.782 19.251 9.599 1.00 0.00 N ATOM 513 CA GLU A 506 13.370 17.955 9.232 1.00 0.00 C ATOM 514 C GLU A 506 13.931 17.232 10.462 1.00 0.00 C ATOM 515 O GLU A 506 14.165 17.859 11.494 1.00 0.00 O ATOM 516 CB GLU A 506 14.487 18.135 8.191 1.00 0.00 C ATOM 517 CG GLU A 506 14.029 18.818 6.900 1.00 0.00 C ATOM 518 CD GLU A 506 15.222 19.013 5.946 1.00 0.00 C ATOM 519 OE1 GLU A 506 15.643 18.033 5.282 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.767 20.141 5.865 1.00 0.00 O ATOM 0 H GLU A 506 13.439 20.029 9.542 1.00 0.00 H new ATOM 0 HA GLU A 506 12.574 17.348 8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 506 15.292 18.721 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 506 14.902 17.157 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 506 13.261 18.216 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 506 13.578 19.783 7.131 1.00 0.00 H new ATOM 527 N VAL A 507 14.214 15.932 10.339 1.00 0.00 N ATOM 528 CA VAL A 507 14.894 15.136 11.377 1.00 0.00 C ATOM 529 C VAL A 507 16.320 14.777 10.941 1.00 0.00 C ATOM 530 O VAL A 507 16.559 14.358 9.805 1.00 0.00 O ATOM 531 CB VAL A 507 14.055 13.907 11.793 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.670 12.975 10.637 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.763 13.080 12.874 1.00 0.00 C ATOM 0 H VAL A 507 13.976 15.392 9.507 1.00 0.00 H new ATOM 0 HA VAL A 507 14.987 15.747 12.275 1.00 0.00 H new ATOM 0 HB VAL A 507 13.132 14.337 12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 507 13.083 12.141 11.022 1.00 0.00 H new ATOM 0 HG12 VAL A 507 13.080 13.527 9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.573 12.594 10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 507 14.143 12.224 13.141 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.722 12.729 12.493 1.00 0.00 H new ATOM 0 HG23 VAL A 507 14.927 13.699 13.756 1.00 0.00 H new ATOM 543 N LEU A 508 17.269 14.956 11.865 1.00 0.00 N ATOM 544 CA LEU A 508 18.711 14.741 11.672 1.00 0.00 C ATOM 545 C LEU A 508 19.289 13.702 12.648 1.00 0.00 C ATOM 546 O LEU A 508 20.275 13.036 12.328 1.00 0.00 O ATOM 547 CB LEU A 508 19.446 16.071 11.898 1.00 0.00 C ATOM 548 CG LEU A 508 19.074 17.223 10.953 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.737 18.485 11.497 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.552 16.974 9.523 1.00 0.00 C ATOM 0 H LEU A 508 17.046 15.268 12.810 1.00 0.00 H new ATOM 0 HA LEU A 508 18.851 14.367 10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.260 16.395 12.922 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.517 15.889 11.811 1.00 0.00 H new ATOM 0 HG LEU A 508 17.989 17.317 10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.496 19.330 10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.371 18.683 12.505 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.818 18.345 11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 508 19.266 17.815 8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.637 16.867 9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 508 19.095 16.062 9.140 1.00 0.00 H new ATOM 562 N ASP A 509 18.674 13.552 13.824 1.00 0.00 N ATOM 563 CA ASP A 509 18.992 12.507 14.800 1.00 0.00 C ATOM 564 C ASP A 509 17.714 11.965 15.459 1.00 0.00 C ATOM 565 O ASP A 509 16.806 12.725 15.800 1.00 0.00 O ATOM 566 CB ASP A 509 19.950 13.048 15.874 1.00 0.00 C ATOM 567 CG ASP A 509 20.322 11.966 16.902 1.00 0.00 C ATOM 568 OD1 ASP A 509 20.721 10.849 16.492 1.00 0.00 O ATOM 569 OD2 ASP A 509 20.209 12.219 18.125 1.00 0.00 O ATOM 0 H ASP A 509 17.922 14.169 14.131 1.00 0.00 H new ATOM 0 HA ASP A 509 19.481 11.689 14.271 1.00 0.00 H new ATOM 0 HB2 ASP A 509 20.855 13.424 15.398 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.485 13.891 16.385 1.00 0.00 H new ATOM 574 N ASP A 510 17.681 10.647 15.659 1.00 0.00 N ATOM 575 CA ASP A 510 16.564 9.884 16.234 1.00 0.00 C ATOM 576 C ASP A 510 17.035 8.807 17.244 1.00 0.00 C ATOM 577 O ASP A 510 16.233 8.002 17.729 1.00 0.00 O ATOM 578 CB ASP A 510 15.723 9.296 15.086 1.00 0.00 C ATOM 579 CG ASP A 510 16.519 8.333 14.186 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.656 7.135 14.535 1.00 0.00 O ATOM 581 OD2 ASP A 510 17.006 8.760 13.111 1.00 0.00 O ATOM 0 H ASP A 510 18.470 10.050 15.413 1.00 0.00 H new ATOM 0 HA ASP A 510 15.939 10.558 16.820 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.866 8.768 15.505 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.329 10.110 14.478 1.00 0.00 H new ATOM 586 N SER A 511 18.334 8.795 17.583 1.00 0.00 N ATOM 587 CA SER A 511 18.968 7.852 18.523 1.00 0.00 C ATOM 588 C SER A 511 18.448 7.970 19.970 1.00 0.00 C ATOM 589 O SER A 511 18.407 6.977 20.705 1.00 0.00 O ATOM 590 CB SER A 511 20.486 8.089 18.495 1.00 0.00 C ATOM 591 OG SER A 511 21.185 7.100 19.232 1.00 0.00 O ATOM 0 H SER A 511 18.998 9.466 17.196 1.00 0.00 H new ATOM 0 HA SER A 511 18.712 6.844 18.196 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.835 8.088 17.463 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.708 9.074 18.906 1.00 0.00 H new ATOM 0 HG SER A 511 22.147 7.281 19.191 1.00 0.00 H new ATOM 597 N ARG A 512 18.011 9.173 20.371 1.00 0.00 N ATOM 598 CA ARG A 512 17.499 9.522 21.712 1.00 0.00 C ATOM 599 C ARG A 512 16.195 10.320 21.633 1.00 0.00 C ATOM 600 O ARG A 512 15.829 10.819 20.572 1.00 0.00 O ATOM 601 CB ARG A 512 18.566 10.338 22.471 1.00 0.00 C ATOM 602 CG ARG A 512 19.835 9.526 22.758 1.00 0.00 C ATOM 603 CD ARG A 512 20.772 10.313 23.685 1.00 0.00 C ATOM 604 NE ARG A 512 21.914 9.489 24.129 1.00 0.00 N ATOM 605 CZ ARG A 512 23.040 9.253 23.476 1.00 0.00 C ATOM 606 NH1 ARG A 512 23.289 9.757 22.299 1.00 0.00 N ATOM 607 NH2 ARG A 512 23.952 8.489 24.006 1.00 0.00 N ATOM 0 H ARG A 512 18.003 9.973 19.738 1.00 0.00 H new ATOM 0 HA ARG A 512 17.287 8.595 22.244 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.828 11.220 21.886 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.145 10.693 23.412 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.570 8.575 23.220 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.346 9.295 21.824 1.00 0.00 H new ATOM 0 HD2 ARG A 512 21.141 11.197 23.165 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.215 10.663 24.554 1.00 0.00 H new ATOM 0 HE ARG A 512 21.824 9.051 25.046 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.602 10.360 21.846 1.00 0.00 H new ATOM 0 HH12 ARG A 512 24.171 9.549 21.831 1.00 0.00 H new ATOM 0 HH21 ARG A 512 23.798 8.073 24.924 1.00 0.00 H new ATOM 0 HH22 ARG A 512 24.820 8.307 23.503 1.00 0.00 H new ATOM 621 N LYS A 513 15.525 10.485 22.782 1.00 0.00 N ATOM 622 CA LYS A 513 14.300 11.295 22.970 1.00 0.00 C ATOM 623 C LYS A 513 14.398 12.743 22.467 1.00 0.00 C ATOM 624 O LYS A 513 13.412 13.283 21.971 1.00 0.00 O ATOM 625 CB LYS A 513 13.859 11.236 24.437 1.00 0.00 C ATOM 626 CG LYS A 513 14.899 11.812 25.418 1.00 0.00 C ATOM 627 CD LYS A 513 14.670 11.268 26.830 1.00 0.00 C ATOM 628 CE LYS A 513 13.517 11.940 27.589 1.00 0.00 C ATOM 629 NZ LYS A 513 13.881 13.300 28.075 1.00 0.00 N ATOM 0 H LYS A 513 15.831 10.040 23.648 1.00 0.00 H new ATOM 0 HA LYS A 513 13.537 10.844 22.335 1.00 0.00 H new ATOM 0 HB2 LYS A 513 12.924 11.785 24.549 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.655 10.199 24.705 1.00 0.00 H new ATOM 0 HG2 LYS A 513 15.904 11.555 25.083 1.00 0.00 H new ATOM 0 HG3 LYS A 513 14.834 12.900 25.427 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.472 10.198 26.766 1.00 0.00 H new ATOM 0 HD3 LYS A 513 15.587 11.389 27.406 1.00 0.00 H new ATOM 0 HE2 LYS A 513 12.647 12.010 26.937 1.00 0.00 H new ATOM 0 HE3 LYS A 513 13.231 11.318 28.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 13.073 13.715 28.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 14.695 13.232 28.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 14.129 13.903 27.265 1.00 0.00 H new ATOM 643 N TRP A 514 15.573 13.362 22.569 1.00 0.00 N ATOM 644 CA TRP A 514 15.864 14.675 21.986 1.00 0.00 C ATOM 645 C TRP A 514 16.209 14.523 20.496 1.00 0.00 C ATOM 646 O TRP A 514 17.368 14.299 20.135 1.00 0.00 O ATOM 647 CB TRP A 514 16.987 15.368 22.767 1.00 0.00 C ATOM 648 CG TRP A 514 16.633 15.754 24.171 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.870 15.019 25.282 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.985 16.978 24.635 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.400 15.693 26.394 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.829 16.902 26.053 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.525 18.154 24.004 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.222 17.923 26.798 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.936 19.197 24.744 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.772 19.080 26.136 1.00 0.00 C ATOM 0 H TRP A 514 16.366 12.959 23.068 1.00 0.00 H new ATOM 0 HA TRP A 514 14.980 15.308 22.059 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.853 14.706 22.795 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.288 16.264 22.224 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.353 14.053 25.298 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.467 15.340 27.349 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.627 18.256 22.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 15.101 17.823 27.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.608 20.093 24.239 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.302 19.876 26.695 1.00 0.00 H new ATOM 667 N TRP A 515 15.201 14.613 19.627 1.00 0.00 N ATOM 668 CA TRP A 515 15.399 14.608 18.176 1.00 0.00 C ATOM 669 C TRP A 515 16.048 15.926 17.743 1.00 0.00 C ATOM 670 O TRP A 515 15.524 17.011 18.017 1.00 0.00 O ATOM 671 CB TRP A 515 14.070 14.356 17.436 1.00 0.00 C ATOM 672 CG TRP A 515 13.581 12.932 17.437 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.837 12.019 18.398 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.790 12.216 16.430 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.283 10.801 18.071 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.630 10.862 16.861 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.199 12.559 15.192 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.935 9.902 16.112 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.515 11.597 14.421 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.380 10.272 14.876 1.00 0.00 C ATOM 0 H TRP A 515 14.224 14.691 19.909 1.00 0.00 H new ATOM 0 HA TRP A 515 16.068 13.790 17.910 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.301 14.985 17.884 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.184 14.681 16.402 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.399 12.216 19.299 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.348 9.964 18.650 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.273 13.574 14.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.828 8.892 16.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 11.089 11.880 13.470 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.852 9.544 14.278 1.00 0.00 H new ATOM 691 N LYS A 516 17.206 15.839 17.076 1.00 0.00 N ATOM 692 CA LYS A 516 17.824 17.007 16.433 1.00 0.00 C ATOM 693 C LYS A 516 17.067 17.325 15.147 1.00 0.00 C ATOM 694 O LYS A 516 16.842 16.437 14.321 1.00 0.00 O ATOM 695 CB LYS A 516 19.324 16.777 16.179 1.00 0.00 C ATOM 696 CG LYS A 516 20.044 18.130 16.035 1.00 0.00 C ATOM 697 CD LYS A 516 21.574 18.045 15.907 1.00 0.00 C ATOM 698 CE LYS A 516 22.088 17.594 14.532 1.00 0.00 C ATOM 699 NZ LYS A 516 22.362 16.131 14.455 1.00 0.00 N ATOM 0 H LYS A 516 17.734 14.973 16.967 1.00 0.00 H new ATOM 0 HA LYS A 516 17.756 17.867 17.099 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.758 16.210 17.002 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.462 16.184 15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.650 18.642 15.157 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.801 18.747 16.900 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.997 19.024 16.133 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.949 17.354 16.662 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.353 17.859 13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 516 23.001 18.140 14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 22.705 15.892 13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 23.085 15.876 15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 21.487 15.603 14.650 1.00 0.00 H new ATOM 713 N VAL A 517 16.702 18.592 14.975 1.00 0.00 N ATOM 714 CA VAL A 517 15.912 19.092 13.840 1.00 0.00 C ATOM 715 C VAL A 517 16.569 20.325 13.217 1.00 0.00 C ATOM 716 O VAL A 517 17.420 20.975 13.833 1.00 0.00 O ATOM 717 CB VAL A 517 14.456 19.405 14.255 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.727 18.177 14.822 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.336 20.547 15.274 1.00 0.00 C ATOM 0 H VAL A 517 16.952 19.326 15.638 1.00 0.00 H new ATOM 0 HA VAL A 517 15.882 18.301 13.091 1.00 0.00 H new ATOM 0 HB VAL A 517 13.982 19.719 13.325 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.709 18.453 15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.698 17.391 14.068 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.256 17.815 15.704 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.286 20.709 15.517 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.882 20.285 16.180 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.755 21.459 14.849 1.00 0.00 H new ATOM 729 N ARG A 518 16.143 20.658 11.993 1.00 0.00 N ATOM 730 CA ARG A 518 16.620 21.815 11.221 1.00 0.00 C ATOM 731 C ARG A 518 15.439 22.633 10.712 1.00 0.00 C ATOM 732 O ARG A 518 14.574 22.137 9.987 1.00 0.00 O ATOM 733 CB ARG A 518 17.557 21.329 10.107 1.00 0.00 C ATOM 734 CG ARG A 518 18.002 22.426 9.125 1.00 0.00 C ATOM 735 CD ARG A 518 19.391 22.141 8.537 1.00 0.00 C ATOM 736 NE ARG A 518 19.434 20.879 7.770 1.00 0.00 N ATOM 737 CZ ARG A 518 20.434 20.454 7.013 1.00 0.00 C ATOM 738 NH1 ARG A 518 21.547 21.123 6.889 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.334 19.334 6.354 1.00 0.00 N ATOM 0 H ARG A 518 15.436 20.115 11.497 1.00 0.00 H new ATOM 0 HA ARG A 518 17.199 22.487 11.855 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.442 20.885 10.562 1.00 0.00 H new ATOM 0 HB3 ARG A 518 17.056 20.539 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.275 22.506 8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 518 18.015 23.388 9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.683 22.967 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 518 20.121 22.096 9.345 1.00 0.00 H new ATOM 0 HE ARG A 518 18.613 20.276 7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 518 21.669 22.006 7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 518 22.295 20.763 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 518 19.481 18.778 6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 518 21.109 19.013 5.773 1.00 0.00 H new ATOM 753 N ASP A 519 15.403 23.880 11.157 1.00 0.00 N ATOM 754 CA ASP A 519 14.445 24.914 10.766 1.00 0.00 C ATOM 755 C ASP A 519 14.721 25.468 9.348 1.00 0.00 C ATOM 756 O ASP A 519 15.843 25.347 8.837 1.00 0.00 O ATOM 757 CB ASP A 519 14.525 26.039 11.810 1.00 0.00 C ATOM 758 CG ASP A 519 15.971 26.504 12.014 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.649 25.901 12.877 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.418 27.428 11.295 1.00 0.00 O ATOM 0 H ASP A 519 16.079 24.221 11.840 1.00 0.00 H new ATOM 0 HA ASP A 519 13.445 24.481 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.911 26.881 11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.116 25.689 12.758 1.00 0.00 H new ATOM 765 N PRO A 520 13.728 26.114 8.704 1.00 0.00 N ATOM 766 CA PRO A 520 13.867 26.655 7.349 1.00 0.00 C ATOM 767 C PRO A 520 14.819 27.861 7.219 1.00 0.00 C ATOM 768 O PRO A 520 15.170 28.235 6.096 1.00 0.00 O ATOM 769 CB PRO A 520 12.442 27.009 6.911 1.00 0.00 C ATOM 770 CG PRO A 520 11.709 27.275 8.222 1.00 0.00 C ATOM 771 CD PRO A 520 12.350 26.263 9.165 1.00 0.00 C ATOM 0 HA PRO A 520 14.338 25.910 6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.430 27.885 6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.981 26.193 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.852 28.299 8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.635 27.118 8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.318 26.613 10.197 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.822 25.310 9.135 1.00 0.00 H new ATOM 779 N ALA A 521 15.260 28.469 8.330 1.00 0.00 N ATOM 780 CA ALA A 521 16.249 29.555 8.322 1.00 0.00 C ATOM 781 C ALA A 521 17.706 29.048 8.228 1.00 0.00 C ATOM 782 O ALA A 521 18.613 29.829 7.917 1.00 0.00 O ATOM 783 CB ALA A 521 16.036 30.431 9.565 1.00 0.00 C ATOM 0 H ALA A 521 14.938 28.219 9.265 1.00 0.00 H new ATOM 0 HA ALA A 521 16.093 30.149 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.766 31.241 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.030 30.849 9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.161 29.826 10.463 1.00 0.00 H new ATOM 789 N GLY A 522 17.941 27.751 8.467 1.00 0.00 N ATOM 790 CA GLY A 522 19.237 27.081 8.309 1.00 0.00 C ATOM 791 C GLY A 522 19.998 26.823 9.617 1.00 0.00 C ATOM 792 O GLY A 522 21.150 26.380 9.562 1.00 0.00 O ATOM 0 H GLY A 522 17.208 27.118 8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 522 19.077 26.128 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.864 27.686 7.655 1.00 0.00 H new ATOM 796 N GLN A 523 19.398 27.100 10.781 1.00 0.00 N ATOM 797 CA GLN A 523 19.965 26.741 12.089 1.00 0.00 C ATOM 798 C GLN A 523 19.653 25.262 12.433 1.00 0.00 C ATOM 799 O GLN A 523 19.083 24.517 11.628 1.00 0.00 O ATOM 800 CB GLN A 523 19.449 27.723 13.165 1.00 0.00 C ATOM 801 CG GLN A 523 19.741 29.209 12.885 1.00 0.00 C ATOM 802 CD GLN A 523 21.106 29.683 13.390 1.00 0.00 C ATOM 803 OE1 GLN A 523 22.110 28.979 13.353 1.00 0.00 O ATOM 804 NE2 GLN A 523 21.200 30.898 13.895 1.00 0.00 N ATOM 0 H GLN A 523 18.501 27.582 10.844 1.00 0.00 H new ATOM 0 HA GLN A 523 21.051 26.829 12.055 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.372 27.593 13.267 1.00 0.00 H new ATOM 0 HB3 GLN A 523 19.894 27.455 14.123 1.00 0.00 H new ATOM 0 HG2 GLN A 523 19.682 29.384 11.811 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.963 29.815 13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 523 20.377 31.499 13.935 1.00 0.00 H new ATOM 0 HE22 GLN A 523 22.096 31.237 14.246 1.00 0.00 H new ATOM 813 N GLU A 524 20.044 24.813 13.628 1.00 0.00 N ATOM 814 CA GLU A 524 19.710 23.491 14.184 1.00 0.00 C ATOM 815 C GLU A 524 19.431 23.598 15.694 1.00 0.00 C ATOM 816 O GLU A 524 19.935 24.502 16.371 1.00 0.00 O ATOM 817 CB GLU A 524 20.867 22.499 13.956 1.00 0.00 C ATOM 818 CG GLU A 524 20.953 21.923 12.534 1.00 0.00 C ATOM 819 CD GLU A 524 22.221 21.070 12.316 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.742 20.448 13.275 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.720 21.017 11.164 1.00 0.00 O ATOM 0 H GLU A 524 20.619 25.373 14.258 1.00 0.00 H new ATOM 0 HA GLU A 524 18.818 23.128 13.674 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.807 23.000 14.187 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.764 21.674 14.661 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.071 21.313 12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 524 20.941 22.741 11.813 1.00 0.00 H new ATOM 828 N GLY A 525 18.672 22.644 16.241 1.00 0.00 N ATOM 829 CA GLY A 525 18.460 22.516 17.683 1.00 0.00 C ATOM 830 C GLY A 525 17.884 21.162 18.095 1.00 0.00 C ATOM 831 O GLY A 525 17.330 20.422 17.277 1.00 0.00 O ATOM 0 H GLY A 525 18.185 21.936 15.692 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.409 22.670 18.197 1.00 0.00 H new ATOM 0 HA3 GLY A 525 17.786 23.305 18.015 1.00 0.00 H new ATOM 835 N TYR A 526 18.009 20.850 19.385 1.00 0.00 N ATOM 836 CA TYR A 526 17.394 19.680 20.017 1.00 0.00 C ATOM 837 C TYR A 526 16.011 20.021 20.600 1.00 0.00 C ATOM 838 O TYR A 526 15.839 21.065 21.237 1.00 0.00 O ATOM 839 CB TYR A 526 18.329 19.170 21.121 1.00 0.00 C ATOM 840 CG TYR A 526 19.560 18.451 20.598 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.434 17.142 20.093 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.823 19.077 20.616 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.568 16.449 19.628 1.00 0.00 C ATOM 844 CE2 TYR A 526 21.960 18.389 20.144 1.00 0.00 C ATOM 845 CZ TYR A 526 21.834 17.069 19.654 1.00 0.00 C ATOM 846 OH TYR A 526 22.927 16.392 19.206 1.00 0.00 O ATOM 0 H TYR A 526 18.553 21.416 20.036 1.00 0.00 H new ATOM 0 HA TYR A 526 17.247 18.905 19.265 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.646 20.014 21.734 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.774 18.494 21.771 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.464 16.668 20.062 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.920 20.085 20.992 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.468 15.442 19.251 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.927 18.870 20.157 1.00 0.00 H new ATOM 0 HH TYR A 526 23.721 16.960 19.291 1.00 0.00 H new ATOM 856 N VAL A 527 15.045 19.111 20.421 1.00 0.00 N ATOM 857 CA VAL A 527 13.669 19.184 20.961 1.00 0.00 C ATOM 858 C VAL A 527 13.132 17.774 21.272 1.00 0.00 C ATOM 859 O VAL A 527 13.552 16.810 20.626 1.00 0.00 O ATOM 860 CB VAL A 527 12.695 19.893 19.988 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.884 21.412 19.998 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.797 19.400 18.540 1.00 0.00 C ATOM 0 H VAL A 527 15.201 18.265 19.873 1.00 0.00 H new ATOM 0 HA VAL A 527 13.724 19.771 21.878 1.00 0.00 H new ATOM 0 HB VAL A 527 11.704 19.635 20.363 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.182 21.871 19.302 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.702 21.795 21.002 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.903 21.654 19.697 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.084 19.943 17.920 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.807 19.571 18.168 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.572 18.334 18.502 1.00 0.00 H new ATOM 872 N PRO A 528 12.219 17.602 22.249 1.00 0.00 N ATOM 873 CA PRO A 528 11.700 16.282 22.608 1.00 0.00 C ATOM 874 C PRO A 528 10.775 15.714 21.518 1.00 0.00 C ATOM 875 O PRO A 528 9.917 16.419 20.987 1.00 0.00 O ATOM 876 CB PRO A 528 10.965 16.487 23.939 1.00 0.00 C ATOM 877 CG PRO A 528 10.549 17.958 23.919 1.00 0.00 C ATOM 878 CD PRO A 528 11.654 18.635 23.110 1.00 0.00 C ATOM 0 HA PRO A 528 12.500 15.547 22.703 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.099 15.830 24.020 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.612 16.268 24.788 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.572 18.092 23.454 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.481 18.369 24.926 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.254 19.459 22.519 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.416 19.054 23.767 1.00 0.00 H new ATOM 886 N TYR A 529 10.884 14.418 21.214 1.00 0.00 N ATOM 887 CA TYR A 529 10.012 13.741 20.240 1.00 0.00 C ATOM 888 C TYR A 529 8.521 13.716 20.635 1.00 0.00 C ATOM 889 O TYR A 529 7.664 13.507 19.778 1.00 0.00 O ATOM 890 CB TYR A 529 10.519 12.318 19.959 1.00 0.00 C ATOM 891 CG TYR A 529 10.068 11.255 20.949 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.624 11.200 22.242 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.076 10.324 20.575 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.214 10.207 23.153 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.656 9.335 21.486 1.00 0.00 C ATOM 896 CZ TYR A 529 9.230 9.268 22.773 1.00 0.00 C ATOM 897 OH TYR A 529 8.832 8.299 23.643 1.00 0.00 O ATOM 0 H TYR A 529 11.580 13.804 21.636 1.00 0.00 H new ATOM 0 HA TYR A 529 10.067 14.339 19.330 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.190 12.024 18.962 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.609 12.336 19.943 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.369 11.924 22.537 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.638 10.370 19.589 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.651 10.164 24.140 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.893 8.627 21.199 1.00 0.00 H new ATOM 0 HH TYR A 529 8.148 7.740 23.219 1.00 0.00 H new ATOM 907 N ASN A 530 8.197 13.935 21.918 1.00 0.00 N ATOM 908 CA ASN A 530 6.828 13.895 22.447 1.00 0.00 C ATOM 909 C ASN A 530 5.916 14.999 21.855 1.00 0.00 C ATOM 910 O ASN A 530 4.747 14.737 21.559 1.00 0.00 O ATOM 911 CB ASN A 530 6.924 13.976 23.982 1.00 0.00 C ATOM 912 CG ASN A 530 5.635 13.566 24.680 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.635 14.271 24.672 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.617 12.416 25.322 1.00 0.00 N ATOM 0 H ASN A 530 8.895 14.149 22.631 1.00 0.00 H new ATOM 0 HA ASN A 530 6.350 12.962 22.148 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.736 13.335 24.324 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.179 14.995 24.271 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.772 12.117 25.809 1.00 0.00 H new ATOM 0 HD22 ASN A 530 6.448 11.824 25.332 1.00 0.00 H new ATOM 921 N ILE A 531 6.452 16.211 21.638 1.00 0.00 N ATOM 922 CA ILE A 531 5.730 17.330 20.989 1.00 0.00 C ATOM 923 C ILE A 531 5.754 17.259 19.454 1.00 0.00 C ATOM 924 O ILE A 531 4.963 17.941 18.799 1.00 0.00 O ATOM 925 CB ILE A 531 6.258 18.711 21.449 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.712 18.955 20.985 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.094 18.861 22.971 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.277 20.327 21.345 1.00 0.00 C ATOM 0 H ILE A 531 7.406 16.449 21.908 1.00 0.00 H new ATOM 0 HA ILE A 531 4.695 17.219 21.312 1.00 0.00 H new ATOM 0 HB ILE A 531 5.658 19.486 20.972 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.352 18.188 21.422 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.759 18.831 19.903 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.469 19.836 23.283 1.00 0.00 H new ATOM 0 HG22 ILE A 531 5.039 18.777 23.233 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.658 18.077 23.477 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.301 20.406 20.979 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.666 21.104 20.885 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.268 20.451 22.428 1.00 0.00 H new ATOM 940 N LEU A 532 6.660 16.468 18.872 1.00 0.00 N ATOM 941 CA LEU A 532 6.729 16.211 17.433 1.00 0.00 C ATOM 942 C LEU A 532 5.717 15.126 17.022 1.00 0.00 C ATOM 943 O LEU A 532 5.320 14.271 17.819 1.00 0.00 O ATOM 944 CB LEU A 532 8.160 15.787 17.037 1.00 0.00 C ATOM 945 CG LEU A 532 9.277 16.793 17.381 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.625 16.233 16.926 1.00 0.00 C ATOM 947 CD2 LEU A 532 9.071 18.150 16.709 1.00 0.00 C ATOM 0 H LEU A 532 7.381 15.978 19.401 1.00 0.00 H new ATOM 0 HA LEU A 532 6.475 17.131 16.907 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.387 14.840 17.526 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.180 15.604 15.963 1.00 0.00 H new ATOM 0 HG LEU A 532 9.252 16.940 18.461 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.415 16.944 17.169 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.817 15.289 17.435 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.605 16.067 15.849 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.885 18.820 16.985 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.057 18.022 15.627 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.123 18.578 17.036 1.00 0.00 H new ATOM 959 N THR A 533 5.334 15.135 15.746 1.00 0.00 N ATOM 960 CA THR A 533 4.420 14.162 15.122 1.00 0.00 C ATOM 961 C THR A 533 4.802 13.912 13.656 1.00 0.00 C ATOM 962 O THR A 533 5.503 14.734 13.058 1.00 0.00 O ATOM 963 CB THR A 533 2.945 14.630 15.200 1.00 0.00 C ATOM 964 OG1 THR A 533 2.776 16.026 15.051 1.00 0.00 O ATOM 965 CG2 THR A 533 2.291 14.254 16.532 1.00 0.00 C ATOM 0 H THR A 533 5.660 15.844 15.089 1.00 0.00 H new ATOM 0 HA THR A 533 4.516 13.232 15.682 1.00 0.00 H new ATOM 0 HB THR A 533 2.471 14.116 14.364 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.565 16.406 14.611 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.258 14.602 16.541 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.310 13.171 16.654 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.839 14.721 17.351 1.00 0.00 H new ATOM 973 N PRO A 534 4.348 12.804 13.037 1.00 0.00 N ATOM 974 CA PRO A 534 4.482 12.611 11.593 1.00 0.00 C ATOM 975 C PRO A 534 3.672 13.661 10.810 1.00 0.00 C ATOM 976 O PRO A 534 2.748 14.282 11.343 1.00 0.00 O ATOM 977 CB PRO A 534 3.982 11.185 11.329 1.00 0.00 C ATOM 978 CG PRO A 534 2.990 10.936 12.465 1.00 0.00 C ATOM 979 CD PRO A 534 3.616 11.692 13.634 1.00 0.00 C ATOM 0 HA PRO A 534 5.512 12.737 11.259 1.00 0.00 H new ATOM 0 HB2 PRO A 534 3.503 11.102 10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 534 4.799 10.464 11.345 1.00 0.00 H new ATOM 0 HG2 PRO A 534 1.997 11.314 12.224 1.00 0.00 H new ATOM 0 HG3 PRO A 534 2.882 9.873 12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 534 2.851 12.051 14.323 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.282 11.046 14.206 1.00 0.00 H new ATOM 987 N TYR A 535 3.983 13.809 9.519 1.00 0.00 N ATOM 988 CA TYR A 535 3.249 14.674 8.584 1.00 0.00 C ATOM 989 C TYR A 535 2.643 13.857 7.417 1.00 0.00 C ATOM 990 O TYR A 535 3.221 13.815 6.325 1.00 0.00 O ATOM 991 CB TYR A 535 4.147 15.842 8.140 1.00 0.00 C ATOM 992 CG TYR A 535 3.427 16.949 7.384 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.260 17.535 7.920 1.00 0.00 C ATOM 994 CD2 TYR A 535 3.935 17.413 6.153 1.00 0.00 C ATOM 995 CE1 TYR A 535 1.602 18.570 7.229 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.282 18.452 5.461 1.00 0.00 C ATOM 997 CZ TYR A 535 2.110 19.033 5.998 1.00 0.00 C ATOM 998 OH TYR A 535 1.472 20.037 5.338 1.00 0.00 O ATOM 0 H TYR A 535 4.767 13.323 9.084 1.00 0.00 H new ATOM 0 HA TYR A 535 2.391 15.117 9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 535 4.621 16.273 9.022 1.00 0.00 H new ATOM 0 HB3 TYR A 535 4.944 15.449 7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 535 1.870 17.187 8.865 1.00 0.00 H new ATOM 0 HD2 TYR A 535 4.829 16.970 5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 535 0.707 19.010 7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 535 3.677 18.805 4.520 1.00 0.00 H new ATOM 0 HH TYR A 535 1.951 20.238 4.507 1.00 0.00 H new