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 Set 1.1: A 486 ASN : amide:sc= 0.653 K(o=1.6,f=0.9) USER MOD Set 1.2: A 533 THR OG1 : rot 25:sc= 0.917 USER MOD Set 2.1: A 516 LYS NZ :NH3+ -128:sc= 0.771 (180deg=0.172) USER MOD Set 2.2: A 526 TYR OH : rot 25:sc= 1.08 USER MOD Single : A 485 CYS SG : rot -110:sc= -1.06 USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.62) USER MOD Single : A 495 SER OG : rot -104:sc= 0.0371 USER MOD Single : A 498 SER OG : rot 43:sc= 1.69 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 511 SER OG : rot 180:sc= 0.00714 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.538 14.604 7.395 1.00 0.00 N ATOM 118 CA TRP A 482 9.937 15.811 7.970 1.00 0.00 C ATOM 119 C TRP A 482 8.919 15.436 9.055 1.00 0.00 C ATOM 120 O TRP A 482 8.252 14.399 8.979 1.00 0.00 O ATOM 121 CB TRP A 482 9.289 16.673 6.878 1.00 0.00 C ATOM 122 CG TRP A 482 10.217 17.106 5.781 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.575 16.334 4.732 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.946 18.365 5.608 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.455 17.014 3.919 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.748 18.258 4.429 1.00 0.00 C ATOM 127 CE3 TRP A 482 11.030 19.581 6.325 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.608 19.277 4.002 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.890 20.617 5.903 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.690 20.459 4.754 1.00 0.00 C ATOM 0 HA TRP A 482 10.727 16.402 8.433 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.464 16.114 6.437 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.860 17.561 7.343 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.222 15.329 4.556 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.840 16.643 3.050 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.426 19.719 7.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 13.200 19.155 3.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.935 21.538 6.465 1.00 0.00 H new ATOM 0 HH2 TRP A 482 13.365 21.246 4.453 1.00 0.00 H new ATOM 141 N VAL A 483 8.770 16.312 10.045 1.00 0.00 N ATOM 142 CA VAL A 483 7.797 16.204 11.139 1.00 0.00 C ATOM 143 C VAL A 483 7.008 17.500 11.253 1.00 0.00 C ATOM 144 O VAL A 483 7.559 18.601 11.167 1.00 0.00 O ATOM 145 CB VAL A 483 8.450 15.847 12.493 1.00 0.00 C ATOM 146 CG1 VAL A 483 8.853 14.368 12.518 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.662 16.716 12.863 1.00 0.00 C ATOM 0 H VAL A 483 9.345 17.152 10.114 1.00 0.00 H new ATOM 0 HA VAL A 483 7.125 15.381 10.895 1.00 0.00 H new ATOM 0 HB VAL A 483 7.687 16.051 13.244 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.312 14.132 13.478 1.00 0.00 H new ATOM 0 HG12 VAL A 483 7.968 13.747 12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.566 14.172 11.717 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.058 16.397 13.827 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.433 16.608 12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.356 17.760 12.924 1.00 0.00 H new ATOM 157 N LEU A 484 5.700 17.358 11.453 1.00 0.00 N ATOM 158 CA LEU A 484 4.795 18.462 11.741 1.00 0.00 C ATOM 159 C LEU A 484 4.668 18.560 13.268 1.00 0.00 C ATOM 160 O LEU A 484 4.153 17.647 13.917 1.00 0.00 O ATOM 161 CB LEU A 484 3.463 18.238 10.988 1.00 0.00 C ATOM 162 CG LEU A 484 2.647 19.541 10.854 1.00 0.00 C ATOM 163 CD1 LEU A 484 1.826 19.553 9.567 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.683 19.752 12.021 1.00 0.00 C ATOM 0 H LEU A 484 5.232 16.452 11.418 1.00 0.00 H new ATOM 0 HA LEU A 484 5.165 19.424 11.386 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.671 17.837 9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 484 2.870 17.491 11.516 1.00 0.00 H new ATOM 0 HG LEU A 484 3.383 20.345 10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 484 1.263 20.484 9.503 1.00 0.00 H new ATOM 0 HD12 LEU A 484 2.493 19.473 8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 484 1.135 18.710 9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.135 20.683 11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 484 0.980 18.920 12.067 1.00 0.00 H new ATOM 0 HD23 LEU A 484 2.246 19.804 12.953 1.00 0.00 H new ATOM 176 N CYS A 485 5.201 19.638 13.849 1.00 0.00 N ATOM 177 CA CYS A 485 5.096 19.929 15.282 1.00 0.00 C ATOM 178 C CYS A 485 3.626 20.023 15.729 1.00 0.00 C ATOM 179 O CYS A 485 2.856 20.792 15.155 1.00 0.00 O ATOM 180 CB CYS A 485 5.830 21.249 15.553 1.00 0.00 C ATOM 181 SG CYS A 485 7.602 20.951 15.756 1.00 0.00 S ATOM 0 H CYS A 485 5.725 20.343 13.331 1.00 0.00 H new ATOM 0 HA CYS A 485 5.550 19.119 15.854 1.00 0.00 H new ATOM 0 HB2 CYS A 485 5.663 21.942 14.728 1.00 0.00 H new ATOM 0 HB3 CYS A 485 5.428 21.719 16.451 1.00 0.00 H new ATOM 0 HG CYS A 485 7.935 21.145 16.997 1.00 0.00 H new ATOM 187 N ASN A 486 3.236 19.278 16.770 1.00 0.00 N ATOM 188 CA ASN A 486 1.850 19.240 17.263 1.00 0.00 C ATOM 189 C ASN A 486 1.610 20.209 18.443 1.00 0.00 C ATOM 190 O ASN A 486 0.462 20.521 18.760 1.00 0.00 O ATOM 191 CB ASN A 486 1.502 17.784 17.635 1.00 0.00 C ATOM 192 CG ASN A 486 0.022 17.443 17.474 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.359 16.551 16.729 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.869 18.129 18.153 1.00 0.00 N ATOM 0 H ASN A 486 3.874 18.682 17.298 1.00 0.00 H new ATOM 0 HA ASN A 486 1.186 19.585 16.470 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.090 17.109 17.013 1.00 0.00 H new ATOM 0 HB3 ASN A 486 1.797 17.603 18.669 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -1.861 17.914 18.054 1.00 0.00 H new ATOM 0 HD22 ASN A 486 -0.569 18.876 18.779 1.00 0.00 H new ATOM 201 N TYR A 487 2.679 20.696 19.084 1.00 0.00 N ATOM 202 CA TYR A 487 2.633 21.604 20.236 1.00 0.00 C ATOM 203 C TYR A 487 3.849 22.547 20.213 1.00 0.00 C ATOM 204 O TYR A 487 4.958 22.134 19.865 1.00 0.00 O ATOM 205 CB TYR A 487 2.616 20.786 21.543 1.00 0.00 C ATOM 206 CG TYR A 487 1.487 19.769 21.657 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.226 20.162 22.147 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.687 18.439 21.233 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.835 19.234 22.202 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.632 17.508 21.290 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.634 17.905 21.769 1.00 0.00 C ATOM 212 OH TYR A 487 -1.657 17.007 21.801 1.00 0.00 O ATOM 0 H TYR A 487 3.632 20.461 18.806 1.00 0.00 H new ATOM 0 HA TYR A 487 1.725 22.205 20.183 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.567 20.261 21.637 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.548 21.476 22.384 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.071 21.177 22.482 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.654 18.133 20.863 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.801 19.540 22.575 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.792 16.490 20.967 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.343 16.141 21.466 1.00 0.00 H new ATOM 222 N ASP A 488 3.650 23.817 20.569 1.00 0.00 N ATOM 223 CA ASP A 488 4.737 24.797 20.713 1.00 0.00 C ATOM 224 C ASP A 488 5.641 24.518 21.934 1.00 0.00 C ATOM 225 O ASP A 488 5.216 23.903 22.920 1.00 0.00 O ATOM 226 CB ASP A 488 4.156 26.218 20.769 1.00 0.00 C ATOM 227 CG ASP A 488 3.340 26.485 22.046 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.142 26.116 22.090 1.00 0.00 O ATOM 229 OD2 ASP A 488 3.885 27.094 22.998 1.00 0.00 O ATOM 0 H ASP A 488 2.726 24.201 20.768 1.00 0.00 H new ATOM 0 HA ASP A 488 5.377 24.703 19.836 1.00 0.00 H new ATOM 0 HB2 ASP A 488 4.970 26.940 20.707 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.520 26.379 19.898 1.00 0.00 H new ATOM 234 N PHE A 489 6.890 24.995 21.876 1.00 0.00 N ATOM 235 CA PHE A 489 7.898 24.834 22.935 1.00 0.00 C ATOM 236 C PHE A 489 8.964 25.934 22.841 1.00 0.00 C ATOM 237 O PHE A 489 9.513 26.182 21.764 1.00 0.00 O ATOM 238 CB PHE A 489 8.540 23.445 22.794 1.00 0.00 C ATOM 239 CG PHE A 489 9.675 23.121 23.749 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.391 22.705 25.064 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.015 23.174 23.310 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.437 22.350 25.936 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.055 22.786 24.172 1.00 0.00 C ATOM 244 CZ PHE A 489 11.770 22.390 25.489 1.00 0.00 C ATOM 0 H PHE A 489 7.238 25.517 21.072 1.00 0.00 H new ATOM 0 HA PHE A 489 7.421 24.921 23.911 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.760 22.694 22.924 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.913 23.344 21.775 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.367 22.658 25.404 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.242 23.513 22.310 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.216 22.047 26.949 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.076 22.792 23.821 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.573 22.117 26.157 1.00 0.00 H new ATOM 254 N GLN A 490 9.267 26.586 23.969 1.00 0.00 N ATOM 255 CA GLN A 490 10.290 27.629 24.070 1.00 0.00 C ATOM 256 C GLN A 490 11.650 27.018 24.453 1.00 0.00 C ATOM 257 O GLN A 490 11.778 26.307 25.455 1.00 0.00 O ATOM 258 CB GLN A 490 9.814 28.690 25.078 1.00 0.00 C ATOM 259 CG GLN A 490 10.593 30.013 25.001 1.00 0.00 C ATOM 260 CD GLN A 490 11.998 29.974 25.608 1.00 0.00 C ATOM 261 OE1 GLN A 490 12.248 29.404 26.662 1.00 0.00 O ATOM 262 NE2 GLN A 490 12.976 30.583 24.969 1.00 0.00 N ATOM 0 H GLN A 490 8.797 26.398 24.855 1.00 0.00 H new ATOM 0 HA GLN A 490 10.434 28.114 23.105 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.757 28.891 24.907 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.902 28.285 26.086 1.00 0.00 H new ATOM 0 HG2 GLN A 490 10.674 30.309 23.955 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.016 30.787 25.508 1.00 0.00 H new ATOM 0 HE21 GLN A 490 12.789 31.064 24.089 1.00 0.00 H new ATOM 0 HE22 GLN A 490 13.920 30.574 25.354 1.00 0.00 H new ATOM 271 N ALA A 491 12.663 27.320 23.642 1.00 0.00 N ATOM 272 CA ALA A 491 14.046 26.859 23.769 1.00 0.00 C ATOM 273 C ALA A 491 15.006 27.844 23.061 1.00 0.00 C ATOM 274 O ALA A 491 14.813 28.141 21.879 1.00 0.00 O ATOM 275 CB ALA A 491 14.145 25.458 23.154 1.00 0.00 C ATOM 0 H ALA A 491 12.534 27.927 22.833 1.00 0.00 H new ATOM 0 HA ALA A 491 14.335 26.817 24.819 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.169 25.095 23.238 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.475 24.780 23.683 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.861 25.501 22.103 1.00 0.00 H new ATOM 330 N SER A 495 22.348 24.539 22.808 1.00 0.00 N ATOM 331 CA SER A 495 22.063 23.508 21.790 1.00 0.00 C ATOM 332 C SER A 495 20.553 23.218 21.625 1.00 0.00 C ATOM 333 O SER A 495 20.159 22.145 21.170 1.00 0.00 O ATOM 334 CB SER A 495 22.863 22.235 22.125 1.00 0.00 C ATOM 335 OG SER A 495 23.149 21.474 20.960 1.00 0.00 O ATOM 0 HA SER A 495 22.383 23.890 20.821 1.00 0.00 H new ATOM 0 HB2 SER A 495 23.795 22.510 22.618 1.00 0.00 H new ATOM 0 HB3 SER A 495 22.298 21.624 22.829 1.00 0.00 H new ATOM 0 HG SER A 495 22.556 20.695 20.924 1.00 0.00 H new ATOM 341 N GLU A 496 19.679 24.167 21.985 1.00 0.00 N ATOM 342 CA GLU A 496 18.211 24.026 21.917 1.00 0.00 C ATOM 343 C GLU A 496 17.588 25.157 21.079 1.00 0.00 C ATOM 344 O GLU A 496 18.115 26.275 21.039 1.00 0.00 O ATOM 345 CB GLU A 496 17.607 24.036 23.332 1.00 0.00 C ATOM 346 CG GLU A 496 18.003 22.841 24.200 1.00 0.00 C ATOM 347 CD GLU A 496 17.514 22.987 25.657 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.327 23.321 25.888 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.324 22.765 26.591 1.00 0.00 O ATOM 0 H GLU A 496 19.975 25.076 22.340 1.00 0.00 H new ATOM 0 HA GLU A 496 17.987 23.073 21.437 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.912 24.952 23.837 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.521 24.064 23.249 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.589 21.929 23.770 1.00 0.00 H new ATOM 0 HG3 GLU A 496 19.088 22.733 24.192 1.00 0.00 H new ATOM 356 N LEU A 497 16.448 24.881 20.430 1.00 0.00 N ATOM 357 CA LEU A 497 15.747 25.833 19.558 1.00 0.00 C ATOM 358 C LEU A 497 14.212 25.709 19.674 1.00 0.00 C ATOM 359 O LEU A 497 13.670 24.608 19.782 1.00 0.00 O ATOM 360 CB LEU A 497 16.230 25.593 18.117 1.00 0.00 C ATOM 361 CG LEU A 497 15.828 26.729 17.157 1.00 0.00 C ATOM 362 CD1 LEU A 497 17.051 27.503 16.660 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.047 26.176 15.972 1.00 0.00 C ATOM 0 H LEU A 497 15.981 23.977 20.497 1.00 0.00 H new ATOM 0 HA LEU A 497 15.981 26.852 19.867 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.315 25.488 18.115 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.818 24.652 17.752 1.00 0.00 H new ATOM 0 HG LEU A 497 15.193 27.419 17.713 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.730 28.296 15.985 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.575 27.940 17.510 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.720 26.825 16.130 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.772 26.993 15.305 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.665 25.459 15.432 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.145 25.680 16.330 1.00 0.00 H new ATOM 375 N SER A 498 13.516 26.850 19.656 1.00 0.00 N ATOM 376 CA SER A 498 12.056 26.949 19.824 1.00 0.00 C ATOM 377 C SER A 498 11.279 26.415 18.610 1.00 0.00 C ATOM 378 O SER A 498 11.767 26.475 17.477 1.00 0.00 O ATOM 379 CB SER A 498 11.649 28.414 20.051 1.00 0.00 C ATOM 380 OG SER A 498 12.244 28.942 21.227 1.00 0.00 O ATOM 0 H SER A 498 13.962 27.757 19.521 1.00 0.00 H new ATOM 0 HA SER A 498 11.804 26.334 20.688 1.00 0.00 H new ATOM 0 HB2 SER A 498 11.947 29.013 19.191 1.00 0.00 H new ATOM 0 HB3 SER A 498 10.564 28.484 20.128 1.00 0.00 H new ATOM 0 HG SER A 498 13.182 28.662 21.273 1.00 0.00 H new ATOM 386 N VAL A 499 10.038 25.960 18.829 1.00 0.00 N ATOM 387 CA VAL A 499 9.119 25.461 17.781 1.00 0.00 C ATOM 388 C VAL A 499 7.670 25.918 18.012 1.00 0.00 C ATOM 389 O VAL A 499 7.310 26.337 19.116 1.00 0.00 O ATOM 390 CB VAL A 499 9.175 23.921 17.638 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.572 23.420 17.258 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.744 23.166 18.899 1.00 0.00 C ATOM 0 H VAL A 499 9.629 25.925 19.763 1.00 0.00 H new ATOM 0 HA VAL A 499 9.468 25.901 16.847 1.00 0.00 H new ATOM 0 HB VAL A 499 8.464 23.711 16.839 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.558 22.334 17.170 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.868 23.857 16.305 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.285 23.712 18.029 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.810 22.093 18.721 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.399 23.437 19.727 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.716 23.430 19.148 1.00 0.00 H new ATOM 402 N LYS A 500 6.823 25.796 16.980 1.00 0.00 N ATOM 403 CA LYS A 500 5.395 26.182 16.975 1.00 0.00 C ATOM 404 C LYS A 500 4.514 25.008 16.536 1.00 0.00 C ATOM 405 O LYS A 500 4.961 24.128 15.808 1.00 0.00 O ATOM 406 CB LYS A 500 5.164 27.361 16.005 1.00 0.00 C ATOM 407 CG LYS A 500 5.997 28.628 16.249 1.00 0.00 C ATOM 408 CD LYS A 500 5.580 29.399 17.506 1.00 0.00 C ATOM 409 CE LYS A 500 6.380 30.706 17.580 1.00 0.00 C ATOM 410 NZ LYS A 500 5.940 31.560 18.715 1.00 0.00 N ATOM 0 H LYS A 500 7.122 25.409 16.085 1.00 0.00 H new ATOM 0 HA LYS A 500 5.127 26.476 17.990 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.364 27.012 14.992 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.110 27.634 16.046 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.048 28.352 16.333 1.00 0.00 H new ATOM 0 HG3 LYS A 500 5.908 29.284 15.383 1.00 0.00 H new ATOM 0 HD2 LYS A 500 4.512 29.613 17.479 1.00 0.00 H new ATOM 0 HD3 LYS A 500 5.762 28.796 18.395 1.00 0.00 H new ATOM 0 HE2 LYS A 500 7.440 30.477 17.687 1.00 0.00 H new ATOM 0 HE3 LYS A 500 6.265 31.256 16.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 6.504 32.434 18.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 4.934 31.799 18.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 6.073 31.045 19.609 1.00 0.00 H new ATOM 424 N GLN A 501 3.230 25.048 16.889 1.00 0.00 N ATOM 425 CA GLN A 501 2.214 24.042 16.514 1.00 0.00 C ATOM 426 C GLN A 501 1.867 24.007 15.001 1.00 0.00 C ATOM 427 O GLN A 501 1.131 23.133 14.538 1.00 0.00 O ATOM 428 CB GLN A 501 0.984 24.289 17.413 1.00 0.00 C ATOM 429 CG GLN A 501 -0.223 23.372 17.147 1.00 0.00 C ATOM 430 CD GLN A 501 -1.296 23.401 18.238 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.116 23.890 19.349 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.479 22.894 17.952 1.00 0.00 N ATOM 0 H GLN A 501 2.847 25.801 17.461 1.00 0.00 H new ATOM 0 HA GLN A 501 2.620 23.045 16.683 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.286 24.171 18.454 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.666 25.324 17.289 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.679 23.659 16.199 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.133 22.348 17.033 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.649 22.483 17.034 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.224 22.913 18.649 1.00 0.00 H new ATOM 441 N ARG A 502 2.395 24.952 14.211 1.00 0.00 N ATOM 442 CA ARG A 502 2.127 25.104 12.766 1.00 0.00 C ATOM 443 C ARG A 502 3.430 25.263 11.965 1.00 0.00 C ATOM 444 O ARG A 502 3.461 25.940 10.935 1.00 0.00 O ATOM 445 CB ARG A 502 1.113 26.253 12.559 1.00 0.00 C ATOM 446 CG ARG A 502 -0.249 25.965 13.227 1.00 0.00 C ATOM 447 CD ARG A 502 -1.206 27.161 13.190 1.00 0.00 C ATOM 448 NE ARG A 502 -1.730 27.435 11.837 1.00 0.00 N ATOM 449 CZ ARG A 502 -2.414 28.507 11.473 1.00 0.00 C ATOM 450 NH1 ARG A 502 -2.655 29.492 12.295 1.00 0.00 N ATOM 451 NH2 ARG A 502 -2.880 28.613 10.261 1.00 0.00 N ATOM 0 H ARG A 502 3.041 25.656 14.567 1.00 0.00 H new ATOM 0 HA ARG A 502 1.671 24.196 12.371 1.00 0.00 H new ATOM 0 HB2 ARG A 502 1.526 27.176 12.966 1.00 0.00 H new ATOM 0 HB3 ARG A 502 0.964 26.414 11.491 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.719 25.117 12.728 1.00 0.00 H new ATOM 0 HG3 ARG A 502 -0.083 25.673 14.264 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -2.040 26.974 13.866 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -0.688 28.046 13.560 1.00 0.00 H new ATOM 0 HE ARG A 502 -1.548 26.734 11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.312 29.451 13.255 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -3.186 30.303 11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -2.718 27.866 9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -3.407 29.443 9.988 1.00 0.00 H new ATOM 465 N ASP A 503 4.516 24.649 12.450 1.00 0.00 N ATOM 466 CA ASP A 503 5.872 24.780 11.896 1.00 0.00 C ATOM 467 C ASP A 503 6.487 23.403 11.570 1.00 0.00 C ATOM 468 O ASP A 503 6.844 22.633 12.464 1.00 0.00 O ATOM 469 CB ASP A 503 6.715 25.597 12.888 1.00 0.00 C ATOM 470 CG ASP A 503 8.167 25.821 12.443 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.412 26.031 11.231 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.056 25.863 13.328 1.00 0.00 O ATOM 0 H ASP A 503 4.476 24.031 13.260 1.00 0.00 H new ATOM 0 HA ASP A 503 5.843 25.309 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.240 26.566 13.040 1.00 0.00 H new ATOM 0 HB3 ASP A 503 6.716 25.088 13.852 1.00 0.00 H new ATOM 477 N VAL A 504 6.558 23.070 10.274 1.00 0.00 N ATOM 478 CA VAL A 504 7.170 21.828 9.762 1.00 0.00 C ATOM 479 C VAL A 504 8.706 21.907 9.780 1.00 0.00 C ATOM 480 O VAL A 504 9.292 22.947 9.461 1.00 0.00 O ATOM 481 CB VAL A 504 6.623 21.487 8.358 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.027 22.484 7.262 1.00 0.00 C ATOM 483 CG2 VAL A 504 7.027 20.077 7.915 1.00 0.00 C ATOM 0 H VAL A 504 6.185 23.666 9.535 1.00 0.00 H new ATOM 0 HA VAL A 504 6.891 21.013 10.430 1.00 0.00 H new ATOM 0 HB VAL A 504 5.541 21.549 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.601 22.170 6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.653 23.476 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.114 22.515 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.622 19.877 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.114 20.002 7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.633 19.347 8.621 1.00 0.00 H new ATOM 493 N LEU A 505 9.365 20.807 10.157 1.00 0.00 N ATOM 494 CA LEU A 505 10.811 20.730 10.419 1.00 0.00 C ATOM 495 C LEU A 505 11.394 19.403 9.906 1.00 0.00 C ATOM 496 O LEU A 505 10.667 18.421 9.765 1.00 0.00 O ATOM 497 CB LEU A 505 11.039 20.848 11.940 1.00 0.00 C ATOM 498 CG LEU A 505 10.562 22.169 12.576 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.535 22.058 14.096 1.00 0.00 C ATOM 500 CD2 LEU A 505 11.479 23.334 12.209 1.00 0.00 C ATOM 0 H LEU A 505 8.893 19.913 10.294 1.00 0.00 H new ATOM 0 HA LEU A 505 11.315 21.542 9.894 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.528 20.021 12.433 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.104 20.730 12.142 1.00 0.00 H new ATOM 0 HG LEU A 505 9.560 22.356 12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 505 10.196 23.001 14.524 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.853 21.260 14.390 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.537 21.833 14.462 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.111 24.248 12.675 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.489 23.127 12.563 1.00 0.00 H new ATOM 0 HD23 LEU A 505 11.492 23.459 11.126 1.00 0.00 H new ATOM 512 N GLU A 506 12.705 19.345 9.658 1.00 0.00 N ATOM 513 CA GLU A 506 13.389 18.140 9.158 1.00 0.00 C ATOM 514 C GLU A 506 14.186 17.467 10.282 1.00 0.00 C ATOM 515 O GLU A 506 15.049 18.099 10.888 1.00 0.00 O ATOM 516 CB GLU A 506 14.304 18.519 7.983 1.00 0.00 C ATOM 517 CG GLU A 506 14.917 17.302 7.283 1.00 0.00 C ATOM 518 CD GLU A 506 16.093 17.715 6.372 1.00 0.00 C ATOM 519 OE1 GLU A 506 15.905 18.550 5.454 1.00 0.00 O ATOM 520 OE2 GLU A 506 17.216 17.187 6.560 1.00 0.00 O ATOM 0 H GLU A 506 13.331 20.138 9.798 1.00 0.00 H new ATOM 0 HA GLU A 506 12.645 17.425 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.733 19.099 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.105 19.163 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.265 16.587 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.154 16.798 6.690 1.00 0.00 H new ATOM 527 N VAL A 507 13.902 16.190 10.563 1.00 0.00 N ATOM 528 CA VAL A 507 14.603 15.386 11.579 1.00 0.00 C ATOM 529 C VAL A 507 16.037 15.073 11.136 1.00 0.00 C ATOM 530 O VAL A 507 16.273 14.665 9.996 1.00 0.00 O ATOM 531 CB VAL A 507 13.845 14.072 11.866 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.499 13.259 12.992 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.399 14.346 12.292 1.00 0.00 C ATOM 0 H VAL A 507 13.165 15.674 10.083 1.00 0.00 H new ATOM 0 HA VAL A 507 14.639 15.975 12.495 1.00 0.00 H new ATOM 0 HB VAL A 507 13.875 13.507 10.934 1.00 0.00 H new ATOM 0 HG11 VAL A 507 13.930 12.344 13.158 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.521 13.005 12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.510 13.850 13.908 1.00 0.00 H new ATOM 0 HG21 VAL A 507 11.892 13.401 12.487 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.395 14.953 13.197 1.00 0.00 H new ATOM 0 HG23 VAL A 507 11.880 14.879 11.495 1.00 0.00 H new ATOM 543 N LEU A 508 16.987 15.218 12.067 1.00 0.00 N ATOM 544 CA LEU A 508 18.426 15.012 11.853 1.00 0.00 C ATOM 545 C LEU A 508 19.006 13.936 12.788 1.00 0.00 C ATOM 546 O LEU A 508 19.773 13.082 12.338 1.00 0.00 O ATOM 547 CB LEU A 508 19.171 16.334 12.101 1.00 0.00 C ATOM 548 CG LEU A 508 18.680 17.561 11.317 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.467 18.770 11.819 1.00 0.00 C ATOM 550 CD2 LEU A 508 18.879 17.407 9.810 1.00 0.00 C ATOM 0 H LEU A 508 16.768 15.492 13.025 1.00 0.00 H new ATOM 0 HA LEU A 508 18.559 14.674 10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.111 16.564 13.165 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.224 16.180 11.867 1.00 0.00 H new ATOM 0 HG LEU A 508 17.609 17.681 11.481 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.144 19.662 11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.288 18.903 12.886 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.531 18.609 11.647 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.516 18.300 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 508 19.939 17.273 9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.324 16.538 9.457 1.00 0.00 H new ATOM 562 N ASP A 509 18.588 13.940 14.060 1.00 0.00 N ATOM 563 CA ASP A 509 18.912 12.914 15.061 1.00 0.00 C ATOM 564 C ASP A 509 17.610 12.282 15.575 1.00 0.00 C ATOM 565 O ASP A 509 16.674 12.990 15.954 1.00 0.00 O ATOM 566 CB ASP A 509 19.667 13.502 16.274 1.00 0.00 C ATOM 567 CG ASP A 509 21.141 13.905 16.071 1.00 0.00 C ATOM 568 OD1 ASP A 509 21.742 13.625 15.006 1.00 0.00 O ATOM 569 OD2 ASP A 509 21.719 14.485 17.024 1.00 0.00 O ATOM 0 H ASP A 509 17.996 14.681 14.434 1.00 0.00 H new ATOM 0 HA ASP A 509 19.552 12.177 14.576 1.00 0.00 H new ATOM 0 HB2 ASP A 509 19.122 14.382 16.614 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.627 12.771 17.081 1.00 0.00 H new ATOM 574 N ASP A 510 17.582 10.949 15.635 1.00 0.00 N ATOM 575 CA ASP A 510 16.474 10.132 16.162 1.00 0.00 C ATOM 576 C ASP A 510 16.962 8.997 17.099 1.00 0.00 C ATOM 577 O ASP A 510 16.198 8.101 17.472 1.00 0.00 O ATOM 578 CB ASP A 510 15.610 9.624 14.990 1.00 0.00 C ATOM 579 CG ASP A 510 16.371 8.801 13.928 1.00 0.00 C ATOM 580 OD1 ASP A 510 17.324 8.055 14.264 1.00 0.00 O ATOM 581 OD2 ASP A 510 16.000 8.882 12.732 1.00 0.00 O ATOM 0 H ASP A 510 18.362 10.380 15.305 1.00 0.00 H new ATOM 0 HA ASP A 510 15.848 10.759 16.797 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.802 9.012 15.392 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.147 10.481 14.501 1.00 0.00 H new ATOM 586 N SER A 511 18.243 9.039 17.495 1.00 0.00 N ATOM 587 CA SER A 511 18.926 8.054 18.354 1.00 0.00 C ATOM 588 C SER A 511 18.594 8.165 19.852 1.00 0.00 C ATOM 589 O SER A 511 18.812 7.209 20.604 1.00 0.00 O ATOM 590 CB SER A 511 20.442 8.202 18.167 1.00 0.00 C ATOM 591 OG SER A 511 20.859 9.535 18.438 1.00 0.00 O ATOM 0 H SER A 511 18.863 9.798 17.212 1.00 0.00 H new ATOM 0 HA SER A 511 18.565 7.075 18.039 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.963 7.512 18.830 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.715 7.932 17.147 1.00 0.00 H new ATOM 0 HG SER A 511 21.829 9.606 18.314 1.00 0.00 H new ATOM 597 N ARG A 512 18.056 9.312 20.293 1.00 0.00 N ATOM 598 CA ARG A 512 17.692 9.644 21.685 1.00 0.00 C ATOM 599 C ARG A 512 16.326 10.335 21.756 1.00 0.00 C ATOM 600 O ARG A 512 15.800 10.772 20.738 1.00 0.00 O ATOM 601 CB ARG A 512 18.771 10.565 22.294 1.00 0.00 C ATOM 602 CG ARG A 512 20.164 9.917 22.374 1.00 0.00 C ATOM 603 CD ARG A 512 21.146 10.784 23.174 1.00 0.00 C ATOM 604 NE ARG A 512 21.466 12.050 22.479 1.00 0.00 N ATOM 605 CZ ARG A 512 21.991 13.139 23.014 1.00 0.00 C ATOM 606 NH1 ARG A 512 22.280 13.226 24.284 1.00 0.00 N ATOM 607 NH2 ARG A 512 22.245 14.180 22.274 1.00 0.00 N ATOM 0 H ARG A 512 17.850 10.079 19.653 1.00 0.00 H new ATOM 0 HA ARG A 512 17.631 8.715 22.252 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.837 11.475 21.698 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.460 10.861 23.296 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.083 8.935 22.839 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.552 9.762 21.367 1.00 0.00 H new ATOM 0 HD2 ARG A 512 20.719 11.006 24.152 1.00 0.00 H new ATOM 0 HD3 ARG A 512 22.065 10.224 23.347 1.00 0.00 H new ATOM 0 HE ARG A 512 21.260 12.087 21.481 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.102 12.435 24.903 1.00 0.00 H new ATOM 0 HH12 ARG A 512 22.684 14.085 24.657 1.00 0.00 H new ATOM 0 HH21 ARG A 512 22.039 14.158 21.275 1.00 0.00 H new ATOM 0 HH22 ARG A 512 22.650 15.017 22.693 1.00 0.00 H new ATOM 621 N LYS A 513 15.775 10.478 22.968 1.00 0.00 N ATOM 622 CA LYS A 513 14.530 11.225 23.277 1.00 0.00 C ATOM 623 C LYS A 513 14.542 12.700 22.842 1.00 0.00 C ATOM 624 O LYS A 513 13.516 13.232 22.420 1.00 0.00 O ATOM 625 CB LYS A 513 14.219 11.080 24.773 1.00 0.00 C ATOM 626 CG LYS A 513 15.293 11.720 25.666 1.00 0.00 C ATOM 627 CD LYS A 513 15.185 11.225 27.106 1.00 0.00 C ATOM 628 CE LYS A 513 16.434 11.673 27.877 1.00 0.00 C ATOM 629 NZ LYS A 513 16.375 11.279 29.309 1.00 0.00 N ATOM 0 H LYS A 513 16.195 10.063 23.800 1.00 0.00 H new ATOM 0 HA LYS A 513 13.735 10.779 22.680 1.00 0.00 H new ATOM 0 HB2 LYS A 513 13.254 11.540 24.986 1.00 0.00 H new ATOM 0 HB3 LYS A 513 14.129 10.022 25.021 1.00 0.00 H new ATOM 0 HG2 LYS A 513 16.282 11.487 25.272 1.00 0.00 H new ATOM 0 HG3 LYS A 513 15.189 12.805 25.643 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.287 11.625 27.577 1.00 0.00 H new ATOM 0 HD3 LYS A 513 15.098 10.139 27.126 1.00 0.00 H new ATOM 0 HE2 LYS A 513 17.320 11.236 27.417 1.00 0.00 H new ATOM 0 HE3 LYS A 513 16.537 12.756 27.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 17.237 11.601 29.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 15.544 11.716 29.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 16.303 10.244 29.382 1.00 0.00 H new ATOM 643 N TRP A 514 15.700 13.361 22.913 1.00 0.00 N ATOM 644 CA TRP A 514 15.911 14.697 22.350 1.00 0.00 C ATOM 645 C TRP A 514 16.254 14.568 20.860 1.00 0.00 C ATOM 646 O TRP A 514 17.410 14.342 20.491 1.00 0.00 O ATOM 647 CB TRP A 514 16.984 15.460 23.139 1.00 0.00 C ATOM 648 CG TRP A 514 16.560 15.907 24.508 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.680 15.191 25.649 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.945 17.175 24.902 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.148 15.905 26.708 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.682 17.139 26.305 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.594 18.360 24.219 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.084 18.210 26.987 1.00 0.00 C ATOM 655 CZ3 TRP A 514 15.012 19.450 24.895 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.747 19.374 26.274 1.00 0.00 C ATOM 0 H TRP A 514 16.528 12.978 23.369 1.00 0.00 H new ATOM 0 HA TRP A 514 14.996 15.283 22.435 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.864 14.825 23.236 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.285 16.335 22.563 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.124 14.209 25.723 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.106 15.561 27.667 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.775 18.432 23.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.885 18.141 28.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.768 20.350 24.351 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.286 20.207 26.784 1.00 0.00 H new ATOM 667 N TRP A 515 15.236 14.661 20.003 1.00 0.00 N ATOM 668 CA TRP A 515 15.412 14.717 18.549 1.00 0.00 C ATOM 669 C TRP A 515 16.039 16.060 18.161 1.00 0.00 C ATOM 670 O TRP A 515 15.667 17.108 18.698 1.00 0.00 O ATOM 671 CB TRP A 515 14.064 14.497 17.830 1.00 0.00 C ATOM 672 CG TRP A 515 13.556 13.080 17.803 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.883 12.120 18.694 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.662 12.420 16.847 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.294 10.921 18.361 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.523 11.047 17.229 1.00 0.00 C ATOM 677 CE3 TRP A 515 11.949 12.832 15.698 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.737 10.135 16.511 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.154 11.923 14.970 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.050 10.578 15.369 1.00 0.00 C ATOM 0 H TRP A 515 14.261 14.700 20.299 1.00 0.00 H new ATOM 0 HA TRP A 515 16.083 13.917 18.235 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.312 15.123 18.310 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.161 14.847 16.802 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.521 12.272 19.552 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.414 10.054 18.885 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.014 13.860 15.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.661 9.106 16.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.619 12.263 14.096 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.444 9.889 14.799 1.00 0.00 H new ATOM 691 N LYS A 516 16.985 16.045 17.216 1.00 0.00 N ATOM 692 CA LYS A 516 17.513 17.276 16.604 1.00 0.00 C ATOM 693 C LYS A 516 16.768 17.533 15.300 1.00 0.00 C ATOM 694 O LYS A 516 16.553 16.601 14.522 1.00 0.00 O ATOM 695 CB LYS A 516 19.030 17.186 16.356 1.00 0.00 C ATOM 696 CG LYS A 516 19.678 18.584 16.343 1.00 0.00 C ATOM 697 CD LYS A 516 20.957 18.671 15.498 1.00 0.00 C ATOM 698 CE LYS A 516 22.068 17.689 15.872 1.00 0.00 C ATOM 699 NZ LYS A 516 22.828 18.133 17.071 1.00 0.00 N ATOM 0 H LYS A 516 17.405 15.189 16.854 1.00 0.00 H new ATOM 0 HA LYS A 516 17.355 18.106 17.292 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.492 16.576 17.132 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.216 16.687 15.405 1.00 0.00 H new ATOM 0 HG2 LYS A 516 18.954 19.305 15.964 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.911 18.875 17.367 1.00 0.00 H new ATOM 0 HD2 LYS A 516 20.692 18.510 14.453 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.352 19.684 15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.634 16.707 16.061 1.00 0.00 H new ATOM 0 HE3 LYS A 516 22.752 17.579 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.846 18.129 16.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 22.533 19.095 17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 22.638 17.485 17.862 1.00 0.00 H new ATOM 713 N VAL A 517 16.415 18.788 15.047 1.00 0.00 N ATOM 714 CA VAL A 517 15.675 19.206 13.848 1.00 0.00 C ATOM 715 C VAL A 517 16.293 20.459 13.219 1.00 0.00 C ATOM 716 O VAL A 517 16.882 21.291 13.918 1.00 0.00 O ATOM 717 CB VAL A 517 14.175 19.413 14.149 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.495 18.134 14.653 1.00 0.00 C ATOM 719 CG2 VAL A 517 13.905 20.531 15.165 1.00 0.00 C ATOM 0 H VAL A 517 16.635 19.561 15.675 1.00 0.00 H new ATOM 0 HA VAL A 517 15.753 18.398 13.121 1.00 0.00 H new ATOM 0 HB VAL A 517 13.750 19.702 13.188 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.442 18.335 14.849 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.581 17.354 13.896 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.979 17.803 15.572 1.00 0.00 H new ATOM 0 HG21 VAL A 517 12.831 20.622 15.329 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.398 20.293 16.108 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.294 21.474 14.781 1.00 0.00 H new ATOM 729 N ARG A 518 16.153 20.594 11.895 1.00 0.00 N ATOM 730 CA ARG A 518 16.581 21.765 11.119 1.00 0.00 C ATOM 731 C ARG A 518 15.394 22.706 10.911 1.00 0.00 C ATOM 732 O ARG A 518 14.393 22.339 10.289 1.00 0.00 O ATOM 733 CB ARG A 518 17.151 21.323 9.758 1.00 0.00 C ATOM 734 CG ARG A 518 18.071 22.400 9.156 1.00 0.00 C ATOM 735 CD ARG A 518 18.433 22.112 7.695 1.00 0.00 C ATOM 736 NE ARG A 518 19.170 20.842 7.528 1.00 0.00 N ATOM 737 CZ ARG A 518 19.414 20.224 6.384 1.00 0.00 C ATOM 738 NH1 ARG A 518 19.058 20.727 5.233 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.042 19.084 6.371 1.00 0.00 N ATOM 0 H ARG A 518 15.726 19.870 11.316 1.00 0.00 H new ATOM 0 HA ARG A 518 17.362 22.290 11.669 1.00 0.00 H new ATOM 0 HB2 ARG A 518 17.708 20.394 9.880 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.332 21.116 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.580 23.371 9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 518 18.984 22.465 9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 518 17.521 22.079 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.038 22.932 7.307 1.00 0.00 H new ATOM 0 HE ARG A 518 19.524 20.400 8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 518 18.575 21.625 5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 518 19.263 20.222 4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 518 20.350 18.661 7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 518 20.226 18.613 5.485 1.00 0.00 H new ATOM 753 N ASP A 519 15.506 23.912 11.445 1.00 0.00 N ATOM 754 CA ASP A 519 14.590 25.030 11.186 1.00 0.00 C ATOM 755 C ASP A 519 14.790 25.669 9.789 1.00 0.00 C ATOM 756 O ASP A 519 15.865 25.542 9.191 1.00 0.00 O ATOM 757 CB ASP A 519 14.764 26.075 12.296 1.00 0.00 C ATOM 758 CG ASP A 519 16.221 26.527 12.425 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.649 27.410 11.643 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.923 25.980 13.302 1.00 0.00 O ATOM 0 H ASP A 519 16.257 24.155 12.091 1.00 0.00 H new ATOM 0 HA ASP A 519 13.572 24.640 11.188 1.00 0.00 H new ATOM 0 HB2 ASP A 519 14.133 26.938 12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.427 25.658 13.245 1.00 0.00 H new ATOM 765 N PRO A 520 13.778 26.388 9.258 1.00 0.00 N ATOM 766 CA PRO A 520 13.853 27.030 7.940 1.00 0.00 C ATOM 767 C PRO A 520 14.802 28.242 7.858 1.00 0.00 C ATOM 768 O PRO A 520 15.111 28.692 6.751 1.00 0.00 O ATOM 769 CB PRO A 520 12.411 27.421 7.601 1.00 0.00 C ATOM 770 CG PRO A 520 11.752 27.604 8.966 1.00 0.00 C ATOM 771 CD PRO A 520 12.430 26.524 9.802 1.00 0.00 C ATOM 0 HA PRO A 520 14.287 26.334 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.373 28.338 7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.913 26.647 7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.926 28.601 9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.672 27.463 8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.460 26.805 10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.886 25.582 9.739 1.00 0.00 H new ATOM 779 N ALA A 521 15.286 28.774 8.989 1.00 0.00 N ATOM 780 CA ALA A 521 16.300 29.838 9.013 1.00 0.00 C ATOM 781 C ALA A 521 17.720 29.320 8.697 1.00 0.00 C ATOM 782 O ALA A 521 18.599 30.109 8.337 1.00 0.00 O ATOM 783 CB ALA A 521 16.269 30.551 10.373 1.00 0.00 C ATOM 0 H ALA A 521 14.984 28.477 9.917 1.00 0.00 H new ATOM 0 HA ALA A 521 16.051 30.546 8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 521 17.022 31.339 10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.283 30.988 10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.480 29.833 11.165 1.00 0.00 H new ATOM 789 N GLY A 522 17.947 28.006 8.818 1.00 0.00 N ATOM 790 CA GLY A 522 19.209 27.333 8.496 1.00 0.00 C ATOM 791 C GLY A 522 20.055 26.959 9.719 1.00 0.00 C ATOM 792 O GLY A 522 21.225 26.596 9.558 1.00 0.00 O ATOM 0 H GLY A 522 17.232 27.361 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.990 26.428 7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.797 27.981 7.846 1.00 0.00 H new ATOM 796 N GLN A 523 19.498 27.055 10.932 1.00 0.00 N ATOM 797 CA GLN A 523 20.147 26.627 12.176 1.00 0.00 C ATOM 798 C GLN A 523 19.730 25.181 12.544 1.00 0.00 C ATOM 799 O GLN A 523 19.094 24.473 11.751 1.00 0.00 O ATOM 800 CB GLN A 523 19.858 27.639 13.310 1.00 0.00 C ATOM 801 CG GLN A 523 20.054 29.115 12.914 1.00 0.00 C ATOM 802 CD GLN A 523 20.551 29.969 14.081 1.00 0.00 C ATOM 803 OE1 GLN A 523 21.661 30.487 14.079 1.00 0.00 O ATOM 804 NE2 GLN A 523 19.771 30.142 15.129 1.00 0.00 N ATOM 0 H GLN A 523 18.565 27.440 11.079 1.00 0.00 H new ATOM 0 HA GLN A 523 21.227 26.612 12.029 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.832 27.500 13.651 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.508 27.413 14.156 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.767 29.177 12.092 1.00 0.00 H new ATOM 0 HG3 GLN A 523 19.110 29.519 12.548 1.00 0.00 H new ATOM 0 HE21 GLN A 523 18.843 29.719 15.150 1.00 0.00 H new ATOM 0 HE22 GLN A 523 20.095 30.699 15.920 1.00 0.00 H new ATOM 813 N GLU A 524 20.119 24.718 13.735 1.00 0.00 N ATOM 814 CA GLU A 524 19.717 23.422 14.306 1.00 0.00 C ATOM 815 C GLU A 524 19.525 23.533 15.830 1.00 0.00 C ATOM 816 O GLU A 524 20.152 24.372 16.489 1.00 0.00 O ATOM 817 CB GLU A 524 20.792 22.353 14.027 1.00 0.00 C ATOM 818 CG GLU A 524 21.023 22.015 12.546 1.00 0.00 C ATOM 819 CD GLU A 524 22.161 20.996 12.310 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.772 20.474 13.276 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.480 20.725 11.125 1.00 0.00 O ATOM 0 H GLU A 524 20.739 25.246 14.349 1.00 0.00 H new ATOM 0 HA GLU A 524 18.776 23.134 13.838 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.735 22.692 14.455 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.514 21.438 14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.099 21.618 12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.252 22.933 12.005 1.00 0.00 H new ATOM 828 N GLY A 525 18.710 22.646 16.413 1.00 0.00 N ATOM 829 CA GLY A 525 18.574 22.516 17.869 1.00 0.00 C ATOM 830 C GLY A 525 17.856 21.237 18.310 1.00 0.00 C ATOM 831 O GLY A 525 17.061 20.662 17.561 1.00 0.00 O ATOM 0 H GLY A 525 18.125 21.997 15.887 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.566 22.539 18.321 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.029 23.378 18.252 1.00 0.00 H new ATOM 835 N TYR A 526 18.141 20.797 19.537 1.00 0.00 N ATOM 836 CA TYR A 526 17.455 19.684 20.197 1.00 0.00 C ATOM 837 C TYR A 526 16.090 20.103 20.771 1.00 0.00 C ATOM 838 O TYR A 526 15.943 21.196 21.328 1.00 0.00 O ATOM 839 CB TYR A 526 18.352 19.119 21.310 1.00 0.00 C ATOM 840 CG TYR A 526 19.514 18.279 20.808 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.248 17.086 20.112 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.848 18.669 21.039 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.302 16.294 19.626 1.00 0.00 C ATOM 844 CE2 TYR A 526 21.912 17.876 20.558 1.00 0.00 C ATOM 845 CZ TYR A 526 21.638 16.691 19.835 1.00 0.00 C ATOM 846 OH TYR A 526 22.647 15.960 19.287 1.00 0.00 O ATOM 0 H TYR A 526 18.872 21.214 20.113 1.00 0.00 H new ATOM 0 HA TYR A 526 17.264 18.915 19.449 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.745 19.947 21.900 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.742 18.512 21.979 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.226 16.776 19.950 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.057 19.577 21.585 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.088 15.380 19.092 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.934 18.173 20.742 1.00 0.00 H new ATOM 0 HH TYR A 526 22.312 15.474 18.505 1.00 0.00 H new ATOM 856 N VAL A 527 15.115 19.193 20.679 1.00 0.00 N ATOM 857 CA VAL A 527 13.741 19.297 21.214 1.00 0.00 C ATOM 858 C VAL A 527 13.215 17.905 21.615 1.00 0.00 C ATOM 859 O VAL A 527 13.664 16.903 21.051 1.00 0.00 O ATOM 860 CB VAL A 527 12.766 19.922 20.186 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.917 21.442 20.123 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.901 19.356 18.765 1.00 0.00 C ATOM 0 H VAL A 527 15.267 18.306 20.200 1.00 0.00 H new ATOM 0 HA VAL A 527 13.788 19.947 22.087 1.00 0.00 H new ATOM 0 HB VAL A 527 11.776 19.653 20.553 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.218 21.847 19.392 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.705 21.870 21.103 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.936 21.695 19.829 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.183 19.847 18.108 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.911 19.535 18.397 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.705 18.284 18.780 1.00 0.00 H new ATOM 872 N PRO A 528 12.271 17.789 22.566 1.00 0.00 N ATOM 873 CA PRO A 528 11.703 16.492 22.941 1.00 0.00 C ATOM 874 C PRO A 528 10.866 15.889 21.798 1.00 0.00 C ATOM 875 O PRO A 528 10.088 16.590 21.151 1.00 0.00 O ATOM 876 CB PRO A 528 10.858 16.768 24.191 1.00 0.00 C ATOM 877 CG PRO A 528 10.482 18.246 24.073 1.00 0.00 C ATOM 878 CD PRO A 528 11.682 18.863 23.357 1.00 0.00 C ATOM 0 HA PRO A 528 12.478 15.753 23.142 1.00 0.00 H new ATOM 0 HB2 PRO A 528 9.972 16.133 24.221 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.421 16.572 25.103 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.562 18.382 23.505 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.322 18.699 25.051 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.373 19.692 22.721 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.402 19.261 24.073 1.00 0.00 H new ATOM 886 N TYR A 529 10.967 14.575 21.570 1.00 0.00 N ATOM 887 CA TYR A 529 10.141 13.872 20.571 1.00 0.00 C ATOM 888 C TYR A 529 8.628 13.900 20.877 1.00 0.00 C ATOM 889 O TYR A 529 7.811 13.755 19.968 1.00 0.00 O ATOM 890 CB TYR A 529 10.625 12.424 20.396 1.00 0.00 C ATOM 891 CG TYR A 529 10.121 11.430 21.432 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.669 11.408 22.730 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.093 10.525 21.096 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.216 10.476 23.681 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.630 9.595 22.046 1.00 0.00 C ATOM 896 CZ TYR A 529 9.195 9.562 23.340 1.00 0.00 C ATOM 897 OH TYR A 529 8.755 8.653 24.250 1.00 0.00 O ATOM 0 H TYR A 529 11.619 13.968 22.067 1.00 0.00 H new ATOM 0 HA TYR A 529 10.270 14.420 19.638 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.322 12.076 19.408 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.715 12.420 20.415 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.443 12.112 22.997 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.660 10.545 20.107 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.648 10.459 24.671 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.841 8.905 21.785 1.00 0.00 H new ATOM 0 HH TYR A 529 8.049 8.104 23.849 1.00 0.00 H new ATOM 907 N ASN A 530 8.249 14.107 22.145 1.00 0.00 N ATOM 908 CA ASN A 530 6.865 14.066 22.637 1.00 0.00 C ATOM 909 C ASN A 530 5.918 15.071 21.935 1.00 0.00 C ATOM 910 O ASN A 530 4.725 14.799 21.786 1.00 0.00 O ATOM 911 CB ASN A 530 6.919 14.293 24.161 1.00 0.00 C ATOM 912 CG ASN A 530 5.642 13.871 24.873 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.651 14.587 24.916 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.632 12.703 25.479 1.00 0.00 N ATOM 0 H ASN A 530 8.922 14.315 22.883 1.00 0.00 H new ATOM 0 HA ASN A 530 6.433 13.093 22.400 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.760 13.737 24.576 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.106 15.348 24.359 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.800 12.397 25.983 1.00 0.00 H new ATOM 0 HD22 ASN A 530 6.457 12.104 25.445 1.00 0.00 H new ATOM 921 N ILE A 531 6.458 16.205 21.463 1.00 0.00 N ATOM 922 CA ILE A 531 5.714 17.279 20.769 1.00 0.00 C ATOM 923 C ILE A 531 5.780 17.186 19.231 1.00 0.00 C ATOM 924 O ILE A 531 5.204 18.026 18.535 1.00 0.00 O ATOM 925 CB ILE A 531 6.172 18.673 21.265 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.663 18.935 20.957 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.860 18.816 22.767 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.158 20.329 21.346 1.00 0.00 C ATOM 0 H ILE A 531 7.453 16.411 21.554 1.00 0.00 H new ATOM 0 HA ILE A 531 4.665 17.137 21.028 1.00 0.00 H new ATOM 0 HB ILE A 531 5.614 19.435 20.721 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.265 18.191 21.480 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.831 18.789 19.890 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.183 19.798 23.114 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.787 18.709 22.928 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.389 18.042 23.324 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.214 20.424 21.094 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.586 21.082 20.804 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.027 20.476 22.418 1.00 0.00 H new ATOM 940 N LEU A 532 6.466 16.171 18.693 1.00 0.00 N ATOM 941 CA LEU A 532 6.655 15.945 17.258 1.00 0.00 C ATOM 942 C LEU A 532 5.743 14.809 16.762 1.00 0.00 C ATOM 943 O LEU A 532 5.490 13.833 17.474 1.00 0.00 O ATOM 944 CB LEU A 532 8.136 15.606 16.971 1.00 0.00 C ATOM 945 CG LEU A 532 9.170 16.626 17.489 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.586 16.164 17.140 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.965 18.014 16.886 1.00 0.00 C ATOM 0 H LEU A 532 6.920 15.460 19.266 1.00 0.00 H new ATOM 0 HA LEU A 532 6.387 16.856 16.723 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.359 14.635 17.413 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.263 15.503 15.893 1.00 0.00 H new ATOM 0 HG LEU A 532 9.034 16.687 18.569 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.308 16.892 17.511 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.777 15.196 17.602 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.683 16.075 16.058 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.717 18.697 17.281 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.060 17.957 15.802 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.971 18.380 17.144 1.00 0.00 H new ATOM 959 N THR A 533 5.289 14.918 15.512 1.00 0.00 N ATOM 960 CA THR A 533 4.481 13.899 14.813 1.00 0.00 C ATOM 961 C THR A 533 4.881 13.818 13.335 1.00 0.00 C ATOM 962 O THR A 533 5.367 14.814 12.790 1.00 0.00 O ATOM 963 CB THR A 533 2.963 14.178 14.925 1.00 0.00 C ATOM 964 OG1 THR A 533 2.622 15.550 14.889 1.00 0.00 O ATOM 965 CG2 THR A 533 2.385 13.626 16.230 1.00 0.00 C ATOM 0 H THR A 533 5.475 15.739 14.936 1.00 0.00 H new ATOM 0 HA THR A 533 4.683 12.945 15.301 1.00 0.00 H new ATOM 0 HB THR A 533 2.543 13.681 14.050 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.323 16.049 14.420 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.317 13.840 16.274 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.541 12.548 16.270 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.885 14.096 17.077 1.00 0.00 H new ATOM 973 N PRO A 534 4.693 12.669 12.658 1.00 0.00 N ATOM 974 CA PRO A 534 5.046 12.522 11.245 1.00 0.00 C ATOM 975 C PRO A 534 4.220 13.458 10.346 1.00 0.00 C ATOM 976 O PRO A 534 3.153 13.943 10.738 1.00 0.00 O ATOM 977 CB PRO A 534 4.809 11.041 10.918 1.00 0.00 C ATOM 978 CG PRO A 534 3.744 10.615 11.925 1.00 0.00 C ATOM 979 CD PRO A 534 4.100 11.435 13.162 1.00 0.00 C ATOM 0 HA PRO A 534 6.082 12.806 11.059 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.466 10.907 9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.722 10.455 11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.738 10.837 11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.782 9.544 12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.214 11.643 13.763 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.800 10.896 13.801 1.00 0.00 H new ATOM 987 N TYR A 535 4.691 13.667 9.114 1.00 0.00 N ATOM 988 CA TYR A 535 4.016 14.488 8.100 1.00 0.00 C ATOM 989 C TYR A 535 3.714 13.674 6.822 1.00 0.00 C ATOM 990 O TYR A 535 4.388 13.838 5.799 1.00 0.00 O ATOM 991 CB TYR A 535 4.806 15.787 7.859 1.00 0.00 C ATOM 992 CG TYR A 535 4.114 16.802 6.957 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.740 17.089 7.111 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.855 17.472 5.962 1.00 0.00 C ATOM 995 CE1 TYR A 535 2.107 18.016 6.262 1.00 0.00 C ATOM 996 CE2 TYR A 535 4.228 18.412 5.119 1.00 0.00 C ATOM 997 CZ TYR A 535 2.849 18.683 5.264 1.00 0.00 C ATOM 998 OH TYR A 535 2.231 19.583 4.453 1.00 0.00 O ATOM 0 H TYR A 535 5.568 13.264 8.785 1.00 0.00 H new ATOM 0 HA TYR A 535 3.037 14.793 8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.007 16.256 8.822 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.771 15.532 7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 535 2.172 16.594 7.885 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.908 17.264 5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 535 1.052 18.217 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.802 18.925 4.362 1.00 0.00 H new ATOM 0 HH TYR A 535 2.881 19.954 3.821 1.00 0.00 H new