USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 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 Set 1.1: A 486 ASN : amide:sc= 0.764 K(o=1.8,f=0.95) USER MOD Set 1.2: A 533 THR OG1 : rot 8:sc= 1 USER MOD Single : A 485 CYS SG : rot 180:sc= -0.0306 USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= -0.0954 X(o=-0.095,f=-0.11) USER MOD Single : A 495 SER OG : rot 24:sc= 0.114 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0164) USER MOD Single : A 501 GLN : amide:sc= 0.573 K(o=0.57,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+ -161:sc= 0.832 (180deg=0.599) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.18) 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=-0.28) USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.507 14.709 7.539 1.00 0.00 N ATOM 118 CA TRP A 482 9.900 15.884 8.166 1.00 0.00 C ATOM 119 C TRP A 482 8.865 15.454 9.212 1.00 0.00 C ATOM 120 O TRP A 482 8.276 14.371 9.128 1.00 0.00 O ATOM 121 CB TRP A 482 9.235 16.769 7.098 1.00 0.00 C ATOM 122 CG TRP A 482 10.126 17.425 6.082 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.714 16.805 5.033 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.499 18.836 5.962 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.404 17.725 4.267 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.295 18.996 4.786 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.248 20.002 6.722 1.00 0.00 C ATOM 128 CZ2 TRP A 482 11.801 20.240 4.378 1.00 0.00 C ATOM 129 CZ3 TRP A 482 10.755 21.256 6.327 1.00 0.00 C ATOM 130 CH2 TRP A 482 11.528 21.378 5.158 1.00 0.00 C ATOM 0 HA TRP A 482 10.682 16.458 8.663 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.508 16.159 6.562 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.678 17.553 7.611 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.653 15.747 4.825 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.928 17.492 3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.656 19.930 7.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.392 20.322 3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 10.549 22.130 6.926 1.00 0.00 H new ATOM 0 HH2 TRP A 482 11.911 22.343 4.860 1.00 0.00 H new ATOM 141 N VAL A 483 8.626 16.329 10.185 1.00 0.00 N ATOM 142 CA VAL A 483 7.710 16.130 11.314 1.00 0.00 C ATOM 143 C VAL A 483 6.904 17.398 11.555 1.00 0.00 C ATOM 144 O VAL A 483 7.447 18.506 11.602 1.00 0.00 O ATOM 145 CB VAL A 483 8.453 15.715 12.604 1.00 0.00 C ATOM 146 CG1 VAL A 483 8.845 14.237 12.537 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.701 16.549 12.921 1.00 0.00 C ATOM 0 H VAL A 483 9.085 17.240 10.213 1.00 0.00 H new ATOM 0 HA VAL A 483 7.038 15.312 11.053 1.00 0.00 H new ATOM 0 HB VAL A 483 7.745 15.900 13.412 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.368 13.957 13.452 1.00 0.00 H new ATOM 0 HG12 VAL A 483 7.948 13.627 12.431 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.499 14.072 11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.156 16.186 13.843 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.416 16.459 12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.419 17.595 13.043 1.00 0.00 H new ATOM 157 N LEU A 484 5.590 17.233 11.698 1.00 0.00 N ATOM 158 CA LEU A 484 4.698 18.311 12.101 1.00 0.00 C ATOM 159 C LEU A 484 4.746 18.440 13.629 1.00 0.00 C ATOM 160 O LEU A 484 4.699 17.437 14.348 1.00 0.00 O ATOM 161 CB LEU A 484 3.274 18.005 11.597 1.00 0.00 C ATOM 162 CG LEU A 484 2.355 19.243 11.564 1.00 0.00 C ATOM 163 CD1 LEU A 484 2.812 20.287 10.539 1.00 0.00 C ATOM 164 CD2 LEU A 484 0.931 18.822 11.204 1.00 0.00 C ATOM 0 H LEU A 484 5.116 16.344 11.536 1.00 0.00 H new ATOM 0 HA LEU A 484 5.009 19.261 11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.335 17.581 10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 484 2.825 17.246 12.238 1.00 0.00 H new ATOM 0 HG LEU A 484 2.398 19.690 12.557 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.130 21.137 10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 484 3.819 20.624 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 484 2.812 19.843 9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.286 19.701 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 484 0.929 18.346 10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 484 0.560 18.118 11.949 1.00 0.00 H new ATOM 176 N CYS A 485 4.830 19.662 14.142 1.00 0.00 N ATOM 177 CA CYS A 485 4.669 19.901 15.573 1.00 0.00 C ATOM 178 C CYS A 485 3.208 19.661 16.022 1.00 0.00 C ATOM 179 O CYS A 485 2.284 19.621 15.205 1.00 0.00 O ATOM 180 CB CYS A 485 5.138 21.328 15.861 1.00 0.00 C ATOM 181 SG CYS A 485 5.633 21.472 17.597 1.00 0.00 S ATOM 0 H CYS A 485 5.008 20.501 13.591 1.00 0.00 H new ATOM 0 HA CYS A 485 5.273 19.198 16.147 1.00 0.00 H new ATOM 0 HB2 CYS A 485 5.976 21.583 15.212 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.338 22.035 15.642 1.00 0.00 H new ATOM 0 HG CYS A 485 6.032 22.686 17.835 1.00 0.00 H new ATOM 187 N ASN A 486 2.975 19.532 17.330 1.00 0.00 N ATOM 188 CA ASN A 486 1.634 19.472 17.935 1.00 0.00 C ATOM 189 C ASN A 486 1.481 20.399 19.160 1.00 0.00 C ATOM 190 O ASN A 486 0.353 20.757 19.506 1.00 0.00 O ATOM 191 CB ASN A 486 1.293 17.999 18.259 1.00 0.00 C ATOM 192 CG ASN A 486 0.280 17.369 17.310 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.644 16.682 17.726 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.396 17.574 16.017 1.00 0.00 N ATOM 0 H ASN A 486 3.726 19.465 18.016 1.00 0.00 H new ATOM 0 HA ASN A 486 0.912 19.852 17.212 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.211 17.412 18.235 1.00 0.00 H new ATOM 0 HB3 ASN A 486 0.905 17.943 19.276 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.279 17.163 15.373 1.00 0.00 H new ATOM 0 HD22 ASN A 486 1.161 18.145 15.658 1.00 0.00 H new ATOM 201 N TYR A 487 2.586 20.862 19.759 1.00 0.00 N ATOM 202 CA TYR A 487 2.600 21.779 20.909 1.00 0.00 C ATOM 203 C TYR A 487 3.819 22.714 20.825 1.00 0.00 C ATOM 204 O TYR A 487 4.949 22.248 20.677 1.00 0.00 O ATOM 205 CB TYR A 487 2.643 20.968 22.218 1.00 0.00 C ATOM 206 CG TYR A 487 1.540 19.931 22.363 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.253 20.316 22.788 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.790 18.586 22.019 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.783 19.364 22.853 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.759 17.630 22.085 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.535 18.021 22.495 1.00 0.00 C ATOM 212 OH TYR A 487 -1.545 17.110 22.541 1.00 0.00 O ATOM 0 H TYR A 487 3.522 20.602 19.449 1.00 0.00 H new ATOM 0 HA TYR A 487 1.694 22.385 20.894 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.607 20.464 22.285 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.585 21.659 23.059 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.061 21.342 23.064 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.779 18.288 21.703 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.769 19.662 23.177 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.957 16.601 21.823 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.207 16.233 22.263 1.00 0.00 H new ATOM 222 N ASP A 488 3.603 24.032 20.905 1.00 0.00 N ATOM 223 CA ASP A 488 4.693 25.022 20.888 1.00 0.00 C ATOM 224 C ASP A 488 5.690 24.845 22.057 1.00 0.00 C ATOM 225 O ASP A 488 5.337 24.353 23.136 1.00 0.00 O ATOM 226 CB ASP A 488 4.123 26.448 20.856 1.00 0.00 C ATOM 227 CG ASP A 488 3.542 26.900 22.207 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.389 26.520 22.531 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.219 27.669 22.933 1.00 0.00 O ATOM 0 H ASP A 488 2.673 24.444 20.983 1.00 0.00 H new ATOM 0 HA ASP A 488 5.263 24.849 19.975 1.00 0.00 H new ATOM 0 HB2 ASP A 488 4.910 27.140 20.557 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.344 26.504 20.096 1.00 0.00 H new ATOM 234 N PHE A 489 6.939 25.267 21.840 1.00 0.00 N ATOM 235 CA PHE A 489 8.049 25.103 22.785 1.00 0.00 C ATOM 236 C PHE A 489 9.091 26.215 22.610 1.00 0.00 C ATOM 237 O PHE A 489 9.399 26.615 21.484 1.00 0.00 O ATOM 238 CB PHE A 489 8.673 23.718 22.547 1.00 0.00 C ATOM 239 CG PHE A 489 9.924 23.393 23.341 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.835 23.081 24.711 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.175 23.349 22.696 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.994 22.749 25.437 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.327 22.994 23.418 1.00 0.00 C ATOM 244 CZ PHE A 489 12.241 22.706 24.791 1.00 0.00 C ATOM 0 H PHE A 489 7.214 25.744 20.981 1.00 0.00 H new ATOM 0 HA PHE A 489 7.681 25.175 23.808 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.921 22.962 22.771 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.909 23.628 21.487 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.875 23.096 25.206 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.249 23.588 21.645 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.925 22.527 26.492 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.282 22.942 22.916 1.00 0.00 H new ATOM 0 HZ PHE A 489 13.131 22.452 25.348 1.00 0.00 H new ATOM 254 N GLN A 490 9.669 26.685 23.719 1.00 0.00 N ATOM 255 CA GLN A 490 10.640 27.783 23.766 1.00 0.00 C ATOM 256 C GLN A 490 11.884 27.408 24.589 1.00 0.00 C ATOM 257 O GLN A 490 11.958 27.571 25.809 1.00 0.00 O ATOM 258 CB GLN A 490 9.993 29.112 24.196 1.00 0.00 C ATOM 259 CG GLN A 490 9.178 29.078 25.500 1.00 0.00 C ATOM 260 CD GLN A 490 7.735 28.622 25.291 1.00 0.00 C ATOM 261 OE1 GLN A 490 7.364 27.486 25.567 1.00 0.00 O ATOM 262 NE2 GLN A 490 6.866 29.480 24.795 1.00 0.00 N ATOM 0 H GLN A 490 9.467 26.298 24.641 1.00 0.00 H new ATOM 0 HA GLN A 490 10.995 27.951 22.749 1.00 0.00 H new ATOM 0 HB2 GLN A 490 10.781 29.858 24.303 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.340 29.451 23.392 1.00 0.00 H new ATOM 0 HG2 GLN A 490 9.665 28.409 26.209 1.00 0.00 H new ATOM 0 HG3 GLN A 490 9.178 30.072 25.948 1.00 0.00 H new ATOM 0 HE21 GLN A 490 7.162 30.428 24.561 1.00 0.00 H new ATOM 0 HE22 GLN A 490 5.898 29.196 24.645 1.00 0.00 H new ATOM 271 N ALA A 491 12.870 26.875 23.873 1.00 0.00 N ATOM 272 CA ALA A 491 14.208 26.554 24.360 1.00 0.00 C ATOM 273 C ALA A 491 15.048 27.809 24.688 1.00 0.00 C ATOM 274 O ALA A 491 15.072 28.271 25.830 1.00 0.00 O ATOM 275 CB ALA A 491 14.867 25.694 23.283 1.00 0.00 C ATOM 0 H ALA A 491 12.751 26.643 22.887 1.00 0.00 H new ATOM 0 HA ALA A 491 14.141 26.017 25.306 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.875 25.425 23.599 1.00 0.00 H new ATOM 0 HB2 ALA A 491 14.280 24.788 23.131 1.00 0.00 H new ATOM 0 HB3 ALA A 491 14.917 26.255 22.350 1.00 0.00 H new ATOM 330 N SER A 495 22.467 24.860 22.566 1.00 0.00 N ATOM 331 CA SER A 495 22.281 23.923 21.430 1.00 0.00 C ATOM 332 C SER A 495 20.816 23.494 21.184 1.00 0.00 C ATOM 333 O SER A 495 20.541 22.414 20.658 1.00 0.00 O ATOM 334 CB SER A 495 23.223 22.710 21.545 1.00 0.00 C ATOM 335 OG SER A 495 24.571 23.119 21.733 1.00 0.00 O ATOM 0 HA SER A 495 22.556 24.490 20.540 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.911 22.083 22.380 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.148 22.102 20.644 1.00 0.00 H new ATOM 0 HG SER A 495 24.589 24.019 22.121 1.00 0.00 H new ATOM 341 N GLU A 496 19.855 24.345 21.551 1.00 0.00 N ATOM 342 CA GLU A 496 18.406 24.104 21.434 1.00 0.00 C ATOM 343 C GLU A 496 17.718 25.257 20.674 1.00 0.00 C ATOM 344 O GLU A 496 18.257 26.364 20.579 1.00 0.00 O ATOM 345 CB GLU A 496 17.783 23.957 22.833 1.00 0.00 C ATOM 346 CG GLU A 496 18.233 22.760 23.676 1.00 0.00 C ATOM 347 CD GLU A 496 17.858 22.922 25.168 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.779 23.480 25.495 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.656 22.500 26.042 1.00 0.00 O ATOM 0 H GLU A 496 20.068 25.257 21.954 1.00 0.00 H new ATOM 0 HA GLU A 496 18.256 23.182 20.873 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.997 24.866 23.395 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.701 23.901 22.717 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.777 21.851 23.285 1.00 0.00 H new ATOM 0 HG3 GLU A 496 19.313 22.639 23.585 1.00 0.00 H new ATOM 356 N LEU A 497 16.510 25.011 20.146 1.00 0.00 N ATOM 357 CA LEU A 497 15.756 25.965 19.316 1.00 0.00 C ATOM 358 C LEU A 497 14.239 25.850 19.570 1.00 0.00 C ATOM 359 O LEU A 497 13.706 24.752 19.735 1.00 0.00 O ATOM 360 CB LEU A 497 16.083 25.676 17.839 1.00 0.00 C ATOM 361 CG LEU A 497 15.642 26.799 16.880 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.817 27.706 16.509 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.037 26.205 15.614 1.00 0.00 C ATOM 0 H LEU A 497 16.020 24.128 20.286 1.00 0.00 H new ATOM 0 HA LEU A 497 16.046 26.984 19.574 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.157 25.523 17.736 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.598 24.746 17.543 1.00 0.00 H new ATOM 0 HG LEU A 497 14.892 27.399 17.395 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.473 28.488 15.832 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.224 28.161 17.412 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.591 27.116 16.019 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.730 27.009 14.946 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.778 25.581 15.115 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.169 25.599 15.875 1.00 0.00 H new ATOM 375 N SER A 498 13.543 26.990 19.605 1.00 0.00 N ATOM 376 CA SER A 498 12.078 27.060 19.721 1.00 0.00 C ATOM 377 C SER A 498 11.341 26.520 18.480 1.00 0.00 C ATOM 378 O SER A 498 11.858 26.589 17.360 1.00 0.00 O ATOM 379 CB SER A 498 11.661 28.513 19.996 1.00 0.00 C ATOM 380 OG SER A 498 12.149 29.411 19.007 1.00 0.00 O ATOM 0 H SER A 498 13.986 27.907 19.553 1.00 0.00 H new ATOM 0 HA SER A 498 11.788 26.415 20.551 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.573 28.575 20.035 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.033 28.816 20.975 1.00 0.00 H new ATOM 0 HG SER A 498 11.859 30.322 19.221 1.00 0.00 H new ATOM 386 N VAL A 499 10.102 26.049 18.667 1.00 0.00 N ATOM 387 CA VAL A 499 9.192 25.578 17.598 1.00 0.00 C ATOM 388 C VAL A 499 7.734 25.974 17.875 1.00 0.00 C ATOM 389 O VAL A 499 7.358 26.260 19.015 1.00 0.00 O ATOM 390 CB VAL A 499 9.285 24.048 17.367 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.659 23.608 16.846 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.962 23.212 18.613 1.00 0.00 C ATOM 0 H VAL A 499 9.685 25.980 19.595 1.00 0.00 H new ATOM 0 HA VAL A 499 9.524 26.075 16.687 1.00 0.00 H new ATOM 0 HB VAL A 499 8.523 23.859 16.610 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.665 22.527 16.703 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.863 24.101 15.895 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.427 23.883 17.569 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.048 22.152 18.373 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.662 23.461 19.410 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.946 23.428 18.942 1.00 0.00 H new ATOM 402 N LYS A 500 6.894 25.946 16.832 1.00 0.00 N ATOM 403 CA LYS A 500 5.466 26.325 16.859 1.00 0.00 C ATOM 404 C LYS A 500 4.599 25.154 16.410 1.00 0.00 C ATOM 405 O LYS A 500 5.008 24.372 15.560 1.00 0.00 O ATOM 406 CB LYS A 500 5.227 27.509 15.900 1.00 0.00 C ATOM 407 CG LYS A 500 5.973 28.799 16.264 1.00 0.00 C ATOM 408 CD LYS A 500 5.285 29.591 17.387 1.00 0.00 C ATOM 409 CE LYS A 500 6.068 30.856 17.776 1.00 0.00 C ATOM 410 NZ LYS A 500 6.169 31.842 16.662 1.00 0.00 N ATOM 0 H LYS A 500 7.199 25.647 15.906 1.00 0.00 H new ATOM 0 HA LYS A 500 5.201 26.605 17.879 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.522 27.208 14.895 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.158 27.722 15.869 1.00 0.00 H new ATOM 0 HG2 LYS A 500 6.989 28.551 16.571 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.053 29.429 15.378 1.00 0.00 H new ATOM 0 HD2 LYS A 500 4.281 29.872 17.068 1.00 0.00 H new ATOM 0 HD3 LYS A 500 5.174 28.952 18.263 1.00 0.00 H new ATOM 0 HE2 LYS A 500 5.583 31.329 18.630 1.00 0.00 H new ATOM 0 HE3 LYS A 500 7.071 30.572 18.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 6.647 32.701 17.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 6.715 31.428 15.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 5.215 32.086 16.327 1.00 0.00 H new ATOM 424 N GLN A 501 3.362 25.092 16.906 1.00 0.00 N ATOM 425 CA GLN A 501 2.372 24.049 16.570 1.00 0.00 C ATOM 426 C GLN A 501 2.062 23.946 15.063 1.00 0.00 C ATOM 427 O GLN A 501 1.733 22.870 14.561 1.00 0.00 O ATOM 428 CB GLN A 501 1.099 24.333 17.389 1.00 0.00 C ATOM 429 CG GLN A 501 -0.051 23.339 17.156 1.00 0.00 C ATOM 430 CD GLN A 501 -1.255 23.676 18.032 1.00 0.00 C ATOM 431 OE1 GLN A 501 -2.130 24.451 17.661 1.00 0.00 O ATOM 432 NE2 GLN A 501 -1.345 23.135 19.229 1.00 0.00 N ATOM 0 H GLN A 501 3.005 25.780 17.570 1.00 0.00 H new ATOM 0 HA GLN A 501 2.793 23.077 16.827 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.356 24.328 18.448 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.747 25.337 17.151 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.345 23.357 16.106 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.289 22.327 17.374 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -0.625 22.489 19.552 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -2.135 23.362 19.833 1.00 0.00 H new ATOM 441 N ARG A 502 2.211 25.062 14.340 1.00 0.00 N ATOM 442 CA ARG A 502 1.899 25.216 12.908 1.00 0.00 C ATOM 443 C ARG A 502 3.138 25.248 12.000 1.00 0.00 C ATOM 444 O ARG A 502 3.006 25.491 10.799 1.00 0.00 O ATOM 445 CB ARG A 502 0.975 26.436 12.721 1.00 0.00 C ATOM 446 CG ARG A 502 1.597 27.768 13.178 1.00 0.00 C ATOM 447 CD ARG A 502 0.611 28.924 12.967 1.00 0.00 C ATOM 448 NE ARG A 502 1.159 30.206 13.457 1.00 0.00 N ATOM 449 CZ ARG A 502 1.129 30.676 14.694 1.00 0.00 C ATOM 450 NH1 ARG A 502 0.595 30.013 15.684 1.00 0.00 N ATOM 451 NH2 ARG A 502 1.644 31.841 14.965 1.00 0.00 N ATOM 0 H ARG A 502 2.568 25.923 14.753 1.00 0.00 H new ATOM 0 HA ARG A 502 1.370 24.321 12.580 1.00 0.00 H new ATOM 0 HB2 ARG A 502 0.704 26.516 11.668 1.00 0.00 H new ATOM 0 HB3 ARG A 502 0.052 26.268 13.276 1.00 0.00 H new ATOM 0 HG2 ARG A 502 1.872 27.705 14.231 1.00 0.00 H new ATOM 0 HG3 ARG A 502 2.514 27.958 12.620 1.00 0.00 H new ATOM 0 HD2 ARG A 502 0.374 29.011 11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -0.323 28.705 13.485 1.00 0.00 H new ATOM 0 HE ARG A 502 1.613 30.797 12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 502 0.180 29.096 15.519 1.00 0.00 H new ATOM 0 HH12 ARG A 502 0.593 30.412 16.623 1.00 0.00 H new ATOM 0 HH21 ARG A 502 2.072 32.394 14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 502 1.619 32.200 15.919 1.00 0.00 H new ATOM 465 N ASP A 503 4.323 24.967 12.549 1.00 0.00 N ATOM 466 CA ASP A 503 5.574 24.859 11.786 1.00 0.00 C ATOM 467 C ASP A 503 5.992 23.385 11.642 1.00 0.00 C ATOM 468 O ASP A 503 6.160 22.662 12.629 1.00 0.00 O ATOM 469 CB ASP A 503 6.699 25.679 12.448 1.00 0.00 C ATOM 470 CG ASP A 503 6.598 27.204 12.246 1.00 0.00 C ATOM 471 OD1 ASP A 503 5.792 27.689 11.414 1.00 0.00 O ATOM 472 OD2 ASP A 503 7.375 27.937 12.904 1.00 0.00 O ATOM 0 H ASP A 503 4.444 24.806 13.549 1.00 0.00 H new ATOM 0 HA ASP A 503 5.400 25.269 10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.701 25.468 13.517 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.657 25.338 12.055 1.00 0.00 H new ATOM 477 N VAL A 504 6.167 22.939 10.393 1.00 0.00 N ATOM 478 CA VAL A 504 6.816 21.660 10.060 1.00 0.00 C ATOM 479 C VAL A 504 8.346 21.825 10.103 1.00 0.00 C ATOM 480 O VAL A 504 8.882 22.844 9.653 1.00 0.00 O ATOM 481 CB VAL A 504 6.301 21.148 8.696 1.00 0.00 C ATOM 482 CG1 VAL A 504 6.802 21.951 7.488 1.00 0.00 C ATOM 483 CG2 VAL A 504 6.621 19.665 8.493 1.00 0.00 C ATOM 0 H VAL A 504 5.859 23.461 9.573 1.00 0.00 H new ATOM 0 HA VAL A 504 6.557 20.902 10.799 1.00 0.00 H new ATOM 0 HB VAL A 504 5.221 21.290 8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.393 21.524 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.479 22.988 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 504 7.891 21.912 7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.244 19.341 7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.700 19.517 8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.147 19.079 9.281 1.00 0.00 H new ATOM 493 N LEU A 505 9.057 20.829 10.640 1.00 0.00 N ATOM 494 CA LEU A 505 10.519 20.818 10.814 1.00 0.00 C ATOM 495 C LEU A 505 11.134 19.552 10.184 1.00 0.00 C ATOM 496 O LEU A 505 10.455 18.537 10.024 1.00 0.00 O ATOM 497 CB LEU A 505 10.866 20.894 12.323 1.00 0.00 C ATOM 498 CG LEU A 505 10.980 22.278 12.998 1.00 0.00 C ATOM 499 CD1 LEU A 505 12.009 23.181 12.315 1.00 0.00 C ATOM 500 CD2 LEU A 505 9.663 23.041 13.117 1.00 0.00 C ATOM 0 H LEU A 505 8.616 19.974 10.980 1.00 0.00 H new ATOM 0 HA LEU A 505 10.940 21.686 10.307 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.109 20.326 12.863 1.00 0.00 H new ATOM 0 HB3 LEU A 505 11.815 20.378 12.468 1.00 0.00 H new ATOM 0 HG LEU A 505 11.311 22.035 14.008 1.00 0.00 H new ATOM 0 HD11 LEU A 505 12.049 24.141 12.829 1.00 0.00 H new ATOM 0 HD12 LEU A 505 12.990 22.708 12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.722 23.338 11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 505 9.841 24.000 13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 505 9.249 23.209 12.123 1.00 0.00 H new ATOM 0 HD23 LEU A 505 8.958 22.459 13.710 1.00 0.00 H new ATOM 512 N GLU A 506 12.423 19.599 9.830 1.00 0.00 N ATOM 513 CA GLU A 506 13.164 18.427 9.329 1.00 0.00 C ATOM 514 C GLU A 506 13.659 17.532 10.477 1.00 0.00 C ATOM 515 O GLU A 506 13.628 17.932 11.641 1.00 0.00 O ATOM 516 CB GLU A 506 14.361 18.861 8.463 1.00 0.00 C ATOM 517 CG GLU A 506 13.950 19.703 7.252 1.00 0.00 C ATOM 518 CD GLU A 506 15.138 19.958 6.304 1.00 0.00 C ATOM 519 OE1 GLU A 506 15.619 18.996 5.654 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.594 21.121 6.184 1.00 0.00 O ATOM 0 H GLU A 506 12.985 20.448 9.881 1.00 0.00 H new ATOM 0 HA GLU A 506 12.469 17.851 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 506 15.058 19.433 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 506 14.893 17.974 8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 506 13.154 19.194 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 506 13.545 20.656 7.592 1.00 0.00 H new ATOM 527 N VAL A 507 14.182 16.343 10.160 1.00 0.00 N ATOM 528 CA VAL A 507 14.741 15.396 11.144 1.00 0.00 C ATOM 529 C VAL A 507 16.169 15.003 10.756 1.00 0.00 C ATOM 530 O VAL A 507 16.430 14.605 9.617 1.00 0.00 O ATOM 531 CB VAL A 507 13.856 14.139 11.273 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.367 13.198 12.373 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.404 14.486 11.618 1.00 0.00 C ATOM 0 H VAL A 507 14.232 16.002 9.200 1.00 0.00 H new ATOM 0 HA VAL A 507 14.764 15.894 12.113 1.00 0.00 H new ATOM 0 HB VAL A 507 13.903 13.653 10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 507 13.719 12.324 12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.383 12.880 12.137 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.363 13.721 13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 507 11.820 13.569 11.698 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.373 15.020 12.568 1.00 0.00 H new ATOM 0 HG23 VAL A 507 11.984 15.116 10.834 1.00 0.00 H new ATOM 543 N LEU A 508 17.087 15.102 11.722 1.00 0.00 N ATOM 544 CA LEU A 508 18.522 14.808 11.582 1.00 0.00 C ATOM 545 C LEU A 508 18.990 13.698 12.543 1.00 0.00 C ATOM 546 O LEU A 508 19.935 12.969 12.235 1.00 0.00 O ATOM 547 CB LEU A 508 19.326 16.088 11.874 1.00 0.00 C ATOM 548 CG LEU A 508 18.973 17.327 11.033 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.694 18.531 11.637 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.387 17.165 9.571 1.00 0.00 C ATOM 0 H LEU A 508 16.843 15.402 12.666 1.00 0.00 H new ATOM 0 HA LEU A 508 18.689 14.459 10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.194 16.341 12.926 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.384 15.867 11.729 1.00 0.00 H new ATOM 0 HG LEU A 508 17.892 17.464 11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.459 19.424 11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.368 18.671 12.668 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.770 18.358 11.618 1.00 0.00 H new ATOM 0 HD21 LEU A 508 19.118 18.063 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.464 17.011 9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.874 16.305 9.141 1.00 0.00 H new ATOM 562 N ASP A 509 18.308 13.545 13.681 1.00 0.00 N ATOM 563 CA ASP A 509 18.500 12.460 14.652 1.00 0.00 C ATOM 564 C ASP A 509 17.128 11.984 15.160 1.00 0.00 C ATOM 565 O ASP A 509 16.296 12.801 15.559 1.00 0.00 O ATOM 566 CB ASP A 509 19.383 12.954 15.812 1.00 0.00 C ATOM 567 CG ASP A 509 19.746 11.877 16.859 1.00 0.00 C ATOM 568 OD1 ASP A 509 19.413 10.678 16.689 1.00 0.00 O ATOM 569 OD2 ASP A 509 20.397 12.241 17.868 1.00 0.00 O ATOM 0 H ASP A 509 17.578 14.198 13.964 1.00 0.00 H new ATOM 0 HA ASP A 509 19.004 11.618 14.178 1.00 0.00 H new ATOM 0 HB2 ASP A 509 20.305 13.363 15.399 1.00 0.00 H new ATOM 0 HB3 ASP A 509 18.870 13.772 16.317 1.00 0.00 H new ATOM 574 N ASP A 510 16.915 10.668 15.145 1.00 0.00 N ATOM 575 CA ASP A 510 15.676 9.988 15.543 1.00 0.00 C ATOM 576 C ASP A 510 15.918 8.801 16.510 1.00 0.00 C ATOM 577 O ASP A 510 15.005 8.016 16.785 1.00 0.00 O ATOM 578 CB ASP A 510 14.884 9.592 14.282 1.00 0.00 C ATOM 579 CG ASP A 510 15.671 8.682 13.322 1.00 0.00 C ATOM 580 OD1 ASP A 510 15.809 7.465 13.599 1.00 0.00 O ATOM 581 OD2 ASP A 510 16.143 9.170 12.265 1.00 0.00 O ATOM 0 H ASP A 510 17.635 10.013 14.841 1.00 0.00 H new ATOM 0 HA ASP A 510 15.071 10.685 16.123 1.00 0.00 H new ATOM 0 HB2 ASP A 510 13.968 9.083 14.583 1.00 0.00 H new ATOM 0 HB3 ASP A 510 14.587 10.496 13.751 1.00 0.00 H new ATOM 586 N SER A 511 17.141 8.668 17.047 1.00 0.00 N ATOM 587 CA SER A 511 17.558 7.560 17.925 1.00 0.00 C ATOM 588 C SER A 511 17.409 7.866 19.427 1.00 0.00 C ATOM 589 O SER A 511 17.093 6.965 20.212 1.00 0.00 O ATOM 590 CB SER A 511 19.019 7.210 17.606 1.00 0.00 C ATOM 591 OG SER A 511 19.449 6.045 18.294 1.00 0.00 O ATOM 0 H SER A 511 17.886 9.344 16.879 1.00 0.00 H new ATOM 0 HA SER A 511 16.893 6.720 17.725 1.00 0.00 H new ATOM 0 HB2 SER A 511 19.129 7.058 16.532 1.00 0.00 H new ATOM 0 HB3 SER A 511 19.660 8.049 17.877 1.00 0.00 H new ATOM 0 HG SER A 511 20.382 5.855 18.064 1.00 0.00 H new ATOM 597 N ARG A 512 17.596 9.131 19.840 1.00 0.00 N ATOM 598 CA ARG A 512 17.502 9.593 21.245 1.00 0.00 C ATOM 599 C ARG A 512 16.134 10.222 21.563 1.00 0.00 C ATOM 600 O ARG A 512 15.296 10.388 20.678 1.00 0.00 O ATOM 601 CB ARG A 512 18.657 10.575 21.546 1.00 0.00 C ATOM 602 CG ARG A 512 20.045 9.937 21.365 1.00 0.00 C ATOM 603 CD ARG A 512 21.138 10.840 21.951 1.00 0.00 C ATOM 604 NE ARG A 512 22.484 10.270 21.740 1.00 0.00 N ATOM 605 CZ ARG A 512 23.595 10.597 22.380 1.00 0.00 C ATOM 606 NH1 ARG A 512 23.620 11.490 23.331 1.00 0.00 N ATOM 607 NH2 ARG A 512 24.723 10.023 22.071 1.00 0.00 N ATOM 0 H ARG A 512 17.823 9.885 19.192 1.00 0.00 H new ATOM 0 HA ARG A 512 17.595 8.723 21.895 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.572 11.441 20.889 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.560 10.940 22.569 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.070 8.963 21.854 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.237 9.766 20.306 1.00 0.00 H new ATOM 0 HD2 ARG A 512 21.083 11.826 21.489 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.964 10.978 23.018 1.00 0.00 H new ATOM 0 HE ARG A 512 22.566 9.547 21.025 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.761 11.966 23.607 1.00 0.00 H new ATOM 0 HH12 ARG A 512 24.499 11.712 23.799 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.752 9.319 21.334 1.00 0.00 H new ATOM 0 HH22 ARG A 512 25.577 10.278 22.567 1.00 0.00 H new ATOM 621 N LYS A 513 15.912 10.602 22.830 1.00 0.00 N ATOM 622 CA LYS A 513 14.730 11.370 23.286 1.00 0.00 C ATOM 623 C LYS A 513 14.736 12.848 22.847 1.00 0.00 C ATOM 624 O LYS A 513 13.674 13.445 22.665 1.00 0.00 O ATOM 625 CB LYS A 513 14.544 11.251 24.817 1.00 0.00 C ATOM 626 CG LYS A 513 15.756 11.700 25.657 1.00 0.00 C ATOM 627 CD LYS A 513 16.687 10.544 26.061 1.00 0.00 C ATOM 628 CE LYS A 513 18.082 11.076 26.414 1.00 0.00 C ATOM 629 NZ LYS A 513 19.034 9.968 26.700 1.00 0.00 N ATOM 0 H LYS A 513 16.559 10.382 23.587 1.00 0.00 H new ATOM 0 HA LYS A 513 13.875 10.914 22.787 1.00 0.00 H new ATOM 0 HB2 LYS A 513 13.678 11.845 25.110 1.00 0.00 H new ATOM 0 HB3 LYS A 513 14.316 10.213 25.061 1.00 0.00 H new ATOM 0 HG2 LYS A 513 16.328 12.435 25.091 1.00 0.00 H new ATOM 0 HG3 LYS A 513 15.399 12.199 26.558 1.00 0.00 H new ATOM 0 HD2 LYS A 513 16.267 10.013 26.915 1.00 0.00 H new ATOM 0 HD3 LYS A 513 16.761 9.826 25.244 1.00 0.00 H new ATOM 0 HE2 LYS A 513 18.462 11.679 25.589 1.00 0.00 H new ATOM 0 HE3 LYS A 513 18.013 11.731 27.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 19.967 10.364 26.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 18.683 9.408 27.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 19.118 9.357 25.862 1.00 0.00 H new ATOM 643 N TRP A 514 15.920 13.424 22.633 1.00 0.00 N ATOM 644 CA TRP A 514 16.112 14.775 22.097 1.00 0.00 C ATOM 645 C TRP A 514 16.455 14.669 20.607 1.00 0.00 C ATOM 646 O TRP A 514 17.620 14.507 20.233 1.00 0.00 O ATOM 647 CB TRP A 514 17.186 15.528 22.897 1.00 0.00 C ATOM 648 CG TRP A 514 16.772 15.955 24.274 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.961 15.254 25.414 1.00 0.00 C ATOM 650 CD2 TRP A 514 16.109 17.193 24.681 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.408 15.936 26.482 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.866 17.140 26.087 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.702 18.366 24.008 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.221 18.177 26.780 1.00 0.00 C ATOM 655 CZ3 TRP A 514 15.076 19.424 24.696 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.821 19.325 26.076 1.00 0.00 C ATOM 0 H TRP A 514 16.800 12.949 22.834 1.00 0.00 H new ATOM 0 HA TRP A 514 15.194 15.355 22.196 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.067 14.892 22.980 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.483 16.412 22.333 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.468 14.303 25.481 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.402 15.591 27.442 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.874 18.454 22.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 15.035 18.093 27.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.790 20.317 24.160 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.319 20.130 26.593 1.00 0.00 H new ATOM 667 N TRP A 515 15.428 14.693 19.756 1.00 0.00 N ATOM 668 CA TRP A 515 15.604 14.727 18.302 1.00 0.00 C ATOM 669 C TRP A 515 16.255 16.045 17.879 1.00 0.00 C ATOM 670 O TRP A 515 15.971 17.112 18.430 1.00 0.00 O ATOM 671 CB TRP A 515 14.263 14.519 17.573 1.00 0.00 C ATOM 672 CG TRP A 515 13.715 13.119 17.567 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.999 12.154 18.469 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.825 12.483 16.591 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.332 10.990 18.154 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.598 11.131 16.998 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.201 12.905 15.395 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.794 10.246 16.262 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.402 12.018 14.643 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.196 10.695 15.074 1.00 0.00 C ATOM 0 H TRP A 515 14.452 14.689 20.054 1.00 0.00 H new ATOM 0 HA TRP A 515 16.263 13.906 18.019 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.521 15.174 18.029 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.382 14.844 16.539 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.656 12.277 19.317 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.376 10.134 18.707 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.338 13.920 15.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.638 9.234 16.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.944 12.359 13.726 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.579 10.026 14.492 1.00 0.00 H new ATOM 691 N LYS A 516 17.128 15.961 16.876 1.00 0.00 N ATOM 692 CA LYS A 516 17.792 17.113 16.262 1.00 0.00 C ATOM 693 C LYS A 516 17.024 17.481 14.995 1.00 0.00 C ATOM 694 O LYS A 516 16.788 16.618 14.145 1.00 0.00 O ATOM 695 CB LYS A 516 19.255 16.735 15.988 1.00 0.00 C ATOM 696 CG LYS A 516 20.131 17.943 15.624 1.00 0.00 C ATOM 697 CD LYS A 516 21.565 17.474 15.327 1.00 0.00 C ATOM 698 CE LYS A 516 22.411 18.569 14.668 1.00 0.00 C ATOM 699 NZ LYS A 516 22.885 19.607 15.624 1.00 0.00 N ATOM 0 H LYS A 516 17.400 15.071 16.458 1.00 0.00 H new ATOM 0 HA LYS A 516 17.796 17.987 16.913 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.669 16.246 16.870 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.291 16.010 15.175 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.718 18.455 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 516 20.136 18.661 16.444 1.00 0.00 H new ATOM 0 HD2 LYS A 516 22.041 17.159 16.255 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.532 16.602 14.674 1.00 0.00 H new ATOM 0 HE2 LYS A 516 23.274 18.110 14.185 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.824 19.048 13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.161 20.462 15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 22.121 19.841 16.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.705 19.245 16.152 1.00 0.00 H new ATOM 713 N VAL A 517 16.643 18.748 14.869 1.00 0.00 N ATOM 714 CA VAL A 517 15.866 19.271 13.731 1.00 0.00 C ATOM 715 C VAL A 517 16.602 20.432 13.062 1.00 0.00 C ATOM 716 O VAL A 517 17.447 21.087 13.682 1.00 0.00 O ATOM 717 CB VAL A 517 14.437 19.684 14.150 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.679 18.544 14.847 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.363 20.924 15.049 1.00 0.00 C ATOM 0 H VAL A 517 16.866 19.461 15.564 1.00 0.00 H new ATOM 0 HA VAL A 517 15.765 18.465 13.004 1.00 0.00 H new ATOM 0 HB VAL A 517 13.964 19.932 13.200 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.681 18.885 15.121 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.599 17.693 14.170 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.219 18.243 15.745 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.322 21.137 15.291 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.919 20.740 15.969 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.796 21.778 14.528 1.00 0.00 H new ATOM 729 N ARG A 518 16.256 20.706 11.798 1.00 0.00 N ATOM 730 CA ARG A 518 16.782 21.828 11.006 1.00 0.00 C ATOM 731 C ARG A 518 15.627 22.758 10.632 1.00 0.00 C ATOM 732 O ARG A 518 14.692 22.358 9.935 1.00 0.00 O ATOM 733 CB ARG A 518 17.494 21.305 9.745 1.00 0.00 C ATOM 734 CG ARG A 518 18.476 22.343 9.172 1.00 0.00 C ATOM 735 CD ARG A 518 18.881 22.040 7.725 1.00 0.00 C ATOM 736 NE ARG A 518 19.534 20.723 7.567 1.00 0.00 N ATOM 737 CZ ARG A 518 19.673 20.055 6.431 1.00 0.00 C ATOM 738 NH1 ARG A 518 19.246 20.524 5.291 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.259 18.891 6.410 1.00 0.00 N ATOM 0 H ARG A 518 15.584 20.138 11.282 1.00 0.00 H new ATOM 0 HA ARG A 518 17.512 22.383 11.595 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.033 20.389 9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.752 21.049 8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 518 18.020 23.332 9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 518 19.369 22.375 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 518 17.995 22.078 7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.558 22.819 7.373 1.00 0.00 H new ATOM 0 HE ARG A 518 19.912 20.289 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 518 18.787 21.434 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 518 19.371 19.981 4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 518 20.617 18.484 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 518 20.360 18.387 5.529 1.00 0.00 H new ATOM 753 N ASP A 519 15.673 23.983 11.136 1.00 0.00 N ATOM 754 CA ASP A 519 14.766 25.071 10.756 1.00 0.00 C ATOM 755 C ASP A 519 15.087 25.649 9.356 1.00 0.00 C ATOM 756 O ASP A 519 16.217 25.514 8.866 1.00 0.00 O ATOM 757 CB ASP A 519 14.844 26.162 11.830 1.00 0.00 C ATOM 758 CG ASP A 519 16.291 26.608 12.059 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.776 27.490 11.311 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.930 26.042 12.973 1.00 0.00 O ATOM 0 H ASP A 519 16.358 24.261 11.839 1.00 0.00 H new ATOM 0 HA ASP A 519 13.753 24.674 10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 519 14.240 27.018 11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.423 25.788 12.764 1.00 0.00 H new ATOM 765 N PRO A 520 14.123 26.331 8.704 1.00 0.00 N ATOM 766 CA PRO A 520 14.311 26.901 7.364 1.00 0.00 C ATOM 767 C PRO A 520 15.263 28.113 7.299 1.00 0.00 C ATOM 768 O PRO A 520 15.662 28.506 6.199 1.00 0.00 O ATOM 769 CB PRO A 520 12.902 27.261 6.882 1.00 0.00 C ATOM 770 CG PRO A 520 12.126 27.510 8.172 1.00 0.00 C ATOM 771 CD PRO A 520 12.735 26.485 9.123 1.00 0.00 C ATOM 0 HA PRO A 520 14.807 26.172 6.723 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.911 28.145 6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 520 12.460 26.453 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 520 12.257 28.529 8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 520 11.055 27.355 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.674 26.826 10.157 1.00 0.00 H new ATOM 0 HD3 PRO A 520 12.202 25.536 9.068 1.00 0.00 H new ATOM 779 N ALA A 521 15.655 28.702 8.437 1.00 0.00 N ATOM 780 CA ALA A 521 16.675 29.759 8.489 1.00 0.00 C ATOM 781 C ALA A 521 18.109 29.216 8.301 1.00 0.00 C ATOM 782 O ALA A 521 19.023 29.982 7.977 1.00 0.00 O ATOM 783 CB ALA A 521 16.557 30.529 9.813 1.00 0.00 C ATOM 0 H ALA A 521 15.272 28.458 9.351 1.00 0.00 H new ATOM 0 HA ALA A 521 16.488 30.434 7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 521 17.315 31.312 9.848 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.567 30.979 9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.705 29.843 10.647 1.00 0.00 H new ATOM 789 N GLY A 522 18.311 27.906 8.490 1.00 0.00 N ATOM 790 CA GLY A 522 19.592 27.216 8.309 1.00 0.00 C ATOM 791 C GLY A 522 20.345 26.937 9.616 1.00 0.00 C ATOM 792 O GLY A 522 21.522 26.565 9.572 1.00 0.00 O ATOM 0 H GLY A 522 17.562 27.278 8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 522 19.414 26.271 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 522 20.227 27.817 7.658 1.00 0.00 H new ATOM 796 N GLN A 523 19.695 27.126 10.769 1.00 0.00 N ATOM 797 CA GLN A 523 20.227 26.766 12.086 1.00 0.00 C ATOM 798 C GLN A 523 19.815 25.318 12.452 1.00 0.00 C ATOM 799 O GLN A 523 19.259 24.577 11.631 1.00 0.00 O ATOM 800 CB GLN A 523 19.790 27.808 13.144 1.00 0.00 C ATOM 801 CG GLN A 523 19.936 29.269 12.674 1.00 0.00 C ATOM 802 CD GLN A 523 19.904 30.291 13.813 1.00 0.00 C ATOM 803 OE1 GLN A 523 19.383 30.069 14.902 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.473 31.463 13.612 1.00 0.00 N ATOM 0 H GLN A 523 18.765 27.542 10.813 1.00 0.00 H new ATOM 0 HA GLN A 523 21.317 26.785 12.061 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.750 27.625 13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.383 27.666 14.047 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.875 29.374 12.131 1.00 0.00 H new ATOM 0 HG3 GLN A 523 19.134 29.497 11.972 1.00 0.00 H new ATOM 0 HE21 GLN A 523 20.912 31.670 12.715 1.00 0.00 H new ATOM 0 HE22 GLN A 523 20.474 32.163 14.354 1.00 0.00 H new ATOM 813 N GLU A 524 20.122 24.890 13.678 1.00 0.00 N ATOM 814 CA GLU A 524 19.736 23.584 14.233 1.00 0.00 C ATOM 815 C GLU A 524 19.417 23.710 15.732 1.00 0.00 C ATOM 816 O GLU A 524 19.932 24.600 16.421 1.00 0.00 O ATOM 817 CB GLU A 524 20.889 22.574 14.070 1.00 0.00 C ATOM 818 CG GLU A 524 21.237 22.184 12.623 1.00 0.00 C ATOM 819 CD GLU A 524 22.506 21.310 12.523 1.00 0.00 C ATOM 820 OE1 GLU A 524 23.372 21.346 13.435 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.659 20.582 11.513 1.00 0.00 O ATOM 0 H GLU A 524 20.661 25.456 14.333 1.00 0.00 H new ATOM 0 HA GLU A 524 18.854 23.238 13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.781 22.990 14.539 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.634 21.668 14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.396 21.646 12.185 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.378 23.089 12.032 1.00 0.00 H new ATOM 828 N GLY A 525 18.628 22.774 16.266 1.00 0.00 N ATOM 829 CA GLY A 525 18.431 22.631 17.710 1.00 0.00 C ATOM 830 C GLY A 525 17.897 21.259 18.118 1.00 0.00 C ATOM 831 O GLY A 525 17.169 20.605 17.367 1.00 0.00 O ATOM 0 H GLY A 525 18.109 22.095 15.710 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.379 22.809 18.218 1.00 0.00 H new ATOM 0 HA3 GLY A 525 17.737 23.399 18.052 1.00 0.00 H new ATOM 835 N TYR A 526 18.253 20.835 19.330 1.00 0.00 N ATOM 836 CA TYR A 526 17.632 19.697 20.006 1.00 0.00 C ATOM 837 C TYR A 526 16.252 20.070 20.580 1.00 0.00 C ATOM 838 O TYR A 526 16.085 21.141 21.170 1.00 0.00 O ATOM 839 CB TYR A 526 18.577 19.201 21.111 1.00 0.00 C ATOM 840 CG TYR A 526 19.825 18.515 20.581 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.710 17.288 19.898 1.00 0.00 C ATOM 842 CD2 TYR A 526 21.097 19.097 20.759 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.854 16.643 19.391 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.244 18.465 20.240 1.00 0.00 C ATOM 845 CZ TYR A 526 22.125 17.236 19.554 1.00 0.00 C ATOM 846 OH TYR A 526 23.237 16.633 19.053 1.00 0.00 O ATOM 0 H TYR A 526 18.991 21.278 19.877 1.00 0.00 H new ATOM 0 HA TYR A 526 17.467 18.897 19.284 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.873 20.047 21.731 1.00 0.00 H new ATOM 0 HB3 TYR A 526 18.037 18.507 21.755 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.737 16.839 19.762 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.192 20.030 21.295 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.760 15.697 18.879 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.215 18.920 20.367 1.00 0.00 H new ATOM 0 HH TYR A 526 24.025 17.180 19.255 1.00 0.00 H new ATOM 856 N VAL A 527 15.280 19.165 20.436 1.00 0.00 N ATOM 857 CA VAL A 527 13.894 19.271 20.943 1.00 0.00 C ATOM 858 C VAL A 527 13.346 17.880 21.314 1.00 0.00 C ATOM 859 O VAL A 527 13.768 16.885 20.718 1.00 0.00 O ATOM 860 CB VAL A 527 12.942 19.920 19.910 1.00 0.00 C ATOM 861 CG1 VAL A 527 13.057 21.445 19.900 1.00 0.00 C ATOM 862 CG2 VAL A 527 13.142 19.415 18.475 1.00 0.00 C ATOM 0 H VAL A 527 15.439 18.290 19.937 1.00 0.00 H new ATOM 0 HA VAL A 527 13.933 19.908 21.826 1.00 0.00 H new ATOM 0 HB VAL A 527 11.948 19.619 20.242 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.371 21.857 19.160 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.805 21.835 20.886 1.00 0.00 H new ATOM 0 HG13 VAL A 527 14.078 21.731 19.647 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.438 19.917 17.811 1.00 0.00 H new ATOM 0 HG22 VAL A 527 14.161 19.629 18.153 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.969 18.339 18.440 1.00 0.00 H new ATOM 872 N PRO A 528 12.409 17.760 22.275 1.00 0.00 N ATOM 873 CA PRO A 528 11.831 16.465 22.638 1.00 0.00 C ATOM 874 C PRO A 528 10.955 15.905 21.504 1.00 0.00 C ATOM 875 O PRO A 528 10.161 16.632 20.905 1.00 0.00 O ATOM 876 CB PRO A 528 11.031 16.722 23.920 1.00 0.00 C ATOM 877 CG PRO A 528 10.680 18.210 23.861 1.00 0.00 C ATOM 878 CD PRO A 528 11.842 18.830 23.087 1.00 0.00 C ATOM 0 HA PRO A 528 12.597 15.707 22.802 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.134 16.104 23.959 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.618 16.488 24.808 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.729 18.377 23.355 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.590 18.639 24.859 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.497 19.653 22.461 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.589 19.239 23.768 1.00 0.00 H new ATOM 886 N TYR A 529 11.041 14.598 21.226 1.00 0.00 N ATOM 887 CA TYR A 529 10.188 13.960 20.205 1.00 0.00 C ATOM 888 C TYR A 529 8.693 13.939 20.571 1.00 0.00 C ATOM 889 O TYR A 529 7.850 13.803 19.687 1.00 0.00 O ATOM 890 CB TYR A 529 10.677 12.540 19.886 1.00 0.00 C ATOM 891 CG TYR A 529 10.280 11.461 20.878 1.00 0.00 C ATOM 892 CD1 TYR A 529 11.084 11.218 22.004 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.116 10.690 20.677 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.745 10.215 22.928 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.763 9.685 21.600 1.00 0.00 C ATOM 896 CZ TYR A 529 9.580 9.444 22.730 1.00 0.00 C ATOM 897 OH TYR A 529 9.256 8.471 23.623 1.00 0.00 O ATOM 0 H TYR A 529 11.689 13.961 21.689 1.00 0.00 H new ATOM 0 HA TYR A 529 10.280 14.583 19.316 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.299 12.259 18.903 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.765 12.559 19.816 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.974 11.809 22.162 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.493 10.870 19.813 1.00 0.00 H new ATOM 0 HE1 TYR A 529 11.374 10.035 23.787 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.869 9.099 21.445 1.00 0.00 H new ATOM 0 HH TYR A 529 8.425 8.034 23.343 1.00 0.00 H new ATOM 907 N ASN A 530 8.352 14.081 21.859 1.00 0.00 N ATOM 908 CA ASN A 530 6.979 13.980 22.368 1.00 0.00 C ATOM 909 C ASN A 530 6.053 15.127 21.899 1.00 0.00 C ATOM 910 O ASN A 530 4.858 14.904 21.686 1.00 0.00 O ATOM 911 CB ASN A 530 7.065 13.900 23.903 1.00 0.00 C ATOM 912 CG ASN A 530 5.742 13.549 24.572 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.934 12.777 24.071 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.486 14.084 25.745 1.00 0.00 N ATOM 0 H ASN A 530 9.037 14.273 22.590 1.00 0.00 H new ATOM 0 HA ASN A 530 6.515 13.083 21.958 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.811 13.154 24.178 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.415 14.857 24.289 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.619 13.855 26.232 1.00 0.00 H new ATOM 0 HD22 ASN A 530 6.154 14.728 26.169 1.00 0.00 H new ATOM 921 N ILE A 531 6.587 16.345 21.709 1.00 0.00 N ATOM 922 CA ILE A 531 5.824 17.491 21.157 1.00 0.00 C ATOM 923 C ILE A 531 5.732 17.474 19.621 1.00 0.00 C ATOM 924 O ILE A 531 4.879 18.147 19.041 1.00 0.00 O ATOM 925 CB ILE A 531 6.384 18.851 21.633 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.789 19.142 21.058 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.345 18.926 23.170 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.348 20.518 21.419 1.00 0.00 C ATOM 0 H ILE A 531 7.557 16.569 21.931 1.00 0.00 H new ATOM 0 HA ILE A 531 4.814 17.372 21.550 1.00 0.00 H new ATOM 0 HB ILE A 531 5.743 19.641 21.241 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.479 18.378 21.415 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.749 19.053 19.972 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.741 19.887 23.498 1.00 0.00 H new ATOM 0 HG22 ILE A 531 5.316 18.822 23.513 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.950 18.122 23.589 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.336 20.637 20.975 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.683 21.293 21.038 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.424 20.607 22.503 1.00 0.00 H new ATOM 940 N LEU A 532 6.618 16.716 18.969 1.00 0.00 N ATOM 941 CA LEU A 532 6.632 16.477 17.526 1.00 0.00 C ATOM 942 C LEU A 532 5.757 15.257 17.172 1.00 0.00 C ATOM 943 O LEU A 532 5.417 14.433 18.024 1.00 0.00 O ATOM 944 CB LEU A 532 8.091 16.268 17.060 1.00 0.00 C ATOM 945 CG LEU A 532 9.068 17.413 17.400 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.470 17.063 16.902 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.654 18.746 16.769 1.00 0.00 C ATOM 0 H LEU A 532 7.375 16.233 19.453 1.00 0.00 H new ATOM 0 HA LEU A 532 6.216 17.342 17.009 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.468 15.348 17.506 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.092 16.122 15.980 1.00 0.00 H new ATOM 0 HG LEU A 532 9.052 17.527 18.484 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.156 17.875 17.145 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.809 16.146 17.384 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.447 16.918 15.822 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.376 19.517 17.040 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.625 18.642 15.684 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.666 19.030 17.133 1.00 0.00 H new ATOM 959 N THR A 533 5.410 15.126 15.893 1.00 0.00 N ATOM 960 CA THR A 533 4.636 14.001 15.336 1.00 0.00 C ATOM 961 C THR A 533 5.039 13.731 13.882 1.00 0.00 C ATOM 962 O THR A 533 5.497 14.655 13.203 1.00 0.00 O ATOM 963 CB THR A 533 3.114 14.271 15.378 1.00 0.00 C ATOM 964 OG1 THR A 533 2.778 15.596 15.023 1.00 0.00 O ATOM 965 CG2 THR A 533 2.502 13.999 16.753 1.00 0.00 C ATOM 0 H THR A 533 5.664 15.818 15.188 1.00 0.00 H new ATOM 0 HA THR A 533 4.860 13.133 15.956 1.00 0.00 H new ATOM 0 HB THR A 533 2.704 13.578 14.644 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.577 16.060 14.696 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.432 14.206 16.722 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.662 12.955 17.023 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.975 14.642 17.495 1.00 0.00 H new ATOM 973 N PRO A 534 4.852 12.502 13.361 1.00 0.00 N ATOM 974 CA PRO A 534 5.068 12.221 11.941 1.00 0.00 C ATOM 975 C PRO A 534 4.146 13.074 11.054 1.00 0.00 C ATOM 976 O PRO A 534 3.096 13.552 11.495 1.00 0.00 O ATOM 977 CB PRO A 534 4.817 10.717 11.779 1.00 0.00 C ATOM 978 CG PRO A 534 3.874 10.379 12.932 1.00 0.00 C ATOM 979 CD PRO A 534 4.338 11.321 14.042 1.00 0.00 C ATOM 0 HA PRO A 534 6.077 12.480 11.622 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.366 10.488 10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.744 10.148 11.841 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.832 10.552 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.958 9.333 13.229 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.514 11.579 14.707 1.00 0.00 H new ATOM 0 HD3 PRO A 534 5.109 10.855 14.655 1.00 0.00 H new ATOM 987 N TYR A 535 4.517 13.221 9.779 1.00 0.00 N ATOM 988 CA TYR A 535 3.752 13.973 8.777 1.00 0.00 C ATOM 989 C TYR A 535 3.379 13.065 7.583 1.00 0.00 C ATOM 990 O TYR A 535 4.023 13.126 6.529 1.00 0.00 O ATOM 991 CB TYR A 535 4.504 15.264 8.407 1.00 0.00 C ATOM 992 CG TYR A 535 3.689 16.274 7.611 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.434 16.709 8.090 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.198 16.808 6.410 1.00 0.00 C ATOM 995 CE1 TYR A 535 1.690 17.666 7.373 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.457 17.767 5.692 1.00 0.00 C ATOM 997 CZ TYR A 535 2.203 18.200 6.171 1.00 0.00 C ATOM 998 OH TYR A 535 1.494 19.132 5.479 1.00 0.00 O ATOM 0 H TYR A 535 5.374 12.813 9.406 1.00 0.00 H new ATOM 0 HA TYR A 535 2.796 14.298 9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 535 4.851 15.741 9.324 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.390 14.999 7.830 1.00 0.00 H new ATOM 0 HD1 TYR A 535 2.042 16.305 9.012 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.158 16.481 6.039 1.00 0.00 H new ATOM 0 HE1 TYR A 535 0.728 17.991 7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 535 3.850 18.172 4.771 1.00 0.00 H new ATOM 0 HH TYR A 535 1.993 19.393 4.677 1.00 0.00 H new