USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 431 LYS NZ :NH3+ -163:sc= -0.0216 (180deg=-0.316) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot -130:sc= 0 USER MOD Single : A 442 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 453 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 463 CYS SG : rot -37:sc= -0.0425 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 468 TYR OH : rot 15:sc= -0.856 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 24.525 39.807 3.553 1.00 1.00 N ATOM 2 CA GLY A 430 23.159 39.249 3.768 1.00 1.00 C ATOM 3 C GLY A 430 23.260 37.762 4.091 1.00 1.00 C ATOM 4 O GLY A 430 22.248 37.099 4.321 1.00 1.00 O ATOM 0 HA2 GLY A 430 22.664 39.776 4.584 1.00 1.00 H new ATOM 0 HA3 GLY A 430 22.550 39.397 2.876 1.00 1.00 H new ATOM 10 N LYS A 431 24.488 37.248 4.106 1.00 1.00 N ATOM 11 CA LYS A 431 24.718 35.838 4.401 1.00 1.00 C ATOM 12 C LYS A 431 25.739 35.685 5.524 1.00 1.00 C ATOM 13 O LYS A 431 26.678 36.474 5.634 1.00 1.00 O ATOM 14 CB LYS A 431 25.226 35.119 3.149 1.00 1.00 C ATOM 15 CG LYS A 431 24.125 35.102 2.087 1.00 1.00 C ATOM 16 CD LYS A 431 24.645 34.412 0.824 1.00 1.00 C ATOM 17 CE LYS A 431 23.569 34.458 -0.263 1.00 1.00 C ATOM 18 NZ LYS A 431 22.405 33.626 0.155 1.00 1.00 N ATOM 0 H LYS A 431 25.335 37.785 3.918 1.00 1.00 H new ATOM 0 HA LYS A 431 23.774 35.394 4.719 1.00 1.00 H new ATOM 0 HB2 LYS A 431 26.112 35.623 2.762 1.00 1.00 H new ATOM 0 HB3 LYS A 431 25.522 34.100 3.397 1.00 1.00 H new ATOM 0 HG2 LYS A 431 23.248 34.578 2.466 1.00 1.00 H new ATOM 0 HG3 LYS A 431 23.812 36.120 1.856 1.00 1.00 H new ATOM 0 HD2 LYS A 431 25.552 34.906 0.474 1.00 1.00 H new ATOM 0 HD3 LYS A 431 24.910 33.378 1.045 1.00 1.00 H new ATOM 0 HE2 LYS A 431 23.252 35.487 -0.433 1.00 1.00 H new ATOM 0 HE3 LYS A 431 23.973 34.089 -1.206 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 21.811 33.418 -0.673 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 22.746 32.735 0.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 21.844 34.144 0.862 1.00 1.00 H new ATOM 32 N ARG A 432 25.544 34.670 6.361 1.00 1.00 N ATOM 33 CA ARG A 432 26.455 34.426 7.474 1.00 1.00 C ATOM 34 C ARG A 432 27.847 34.076 6.959 1.00 1.00 C ATOM 35 O ARG A 432 28.854 34.513 7.514 1.00 1.00 O ATOM 36 CB ARG A 432 25.925 33.280 8.338 1.00 1.00 C ATOM 37 CG ARG A 432 24.685 33.748 9.102 1.00 1.00 C ATOM 38 CD ARG A 432 24.131 32.589 9.932 1.00 1.00 C ATOM 39 NE ARG A 432 22.942 33.015 10.665 1.00 1.00 N ATOM 40 CZ ARG A 432 23.029 33.524 11.891 1.00 1.00 C ATOM 41 NH1 ARG A 432 24.195 33.675 12.460 1.00 1.00 N ATOM 42 NH2 ARG A 432 21.945 33.878 12.526 1.00 1.00 N ATOM 0 H ARG A 432 24.771 34.009 6.291 1.00 1.00 H new ATOM 0 HA ARG A 432 26.520 35.334 8.074 1.00 1.00 H new ATOM 0 HB2 ARG A 432 25.677 32.423 7.712 1.00 1.00 H new ATOM 0 HB3 ARG A 432 26.694 32.952 9.038 1.00 1.00 H new ATOM 0 HG2 ARG A 432 24.939 34.586 9.751 1.00 1.00 H new ATOM 0 HG3 ARG A 432 23.927 34.104 8.404 1.00 1.00 H new ATOM 0 HD2 ARG A 432 23.884 31.751 9.280 1.00 1.00 H new ATOM 0 HD3 ARG A 432 24.890 32.237 10.630 1.00 1.00 H new ATOM 0 HE ARG A 432 22.025 32.920 10.228 1.00 1.00 H new ATOM 0 HH11 ARG A 432 25.044 33.402 11.964 1.00 1.00 H new ATOM 0 HH12 ARG A 432 24.257 34.066 13.400 1.00 1.00 H new ATOM 0 HH21 ARG A 432 21.034 33.764 12.082 1.00 1.00 H new ATOM 0 HH22 ARG A 432 22.009 34.268 13.466 1.00 1.00 H new ATOM 56 N SER A 433 27.894 33.283 5.893 1.00 1.00 N ATOM 57 CA SER A 433 29.167 32.879 5.308 1.00 1.00 C ATOM 58 C SER A 433 29.095 32.928 3.785 1.00 1.00 C ATOM 59 O SER A 433 28.053 32.641 3.195 1.00 1.00 O ATOM 60 CB SER A 433 29.523 31.462 5.759 1.00 1.00 C ATOM 61 OG SER A 433 30.792 31.105 5.228 1.00 1.00 O ATOM 0 H SER A 433 27.071 32.910 5.420 1.00 1.00 H new ATOM 0 HA SER A 433 29.938 33.571 5.647 1.00 1.00 H new ATOM 0 HB2 SER A 433 29.543 31.409 6.848 1.00 1.00 H new ATOM 0 HB3 SER A 433 28.763 30.758 5.420 1.00 1.00 H new ATOM 0 HG SER A 433 31.024 30.198 5.517 1.00 1.00 H new ATOM 67 N TRP A 434 30.206 33.291 3.154 1.00 1.00 N ATOM 68 CA TRP A 434 30.252 33.373 1.699 1.00 1.00 C ATOM 69 C TRP A 434 29.954 32.012 1.077 1.00 1.00 C ATOM 70 O TRP A 434 29.259 31.920 0.065 1.00 1.00 O ATOM 71 CB TRP A 434 31.632 33.852 1.245 1.00 1.00 C ATOM 72 CG TRP A 434 31.815 35.284 1.634 1.00 1.00 C ATOM 73 CD1 TRP A 434 32.559 35.716 2.678 1.00 1.00 C ATOM 74 CD2 TRP A 434 31.260 36.475 1.006 1.00 1.00 C ATOM 75 NE1 TRP A 434 32.496 37.097 2.730 1.00 1.00 N ATOM 76 CE2 TRP A 434 31.706 37.611 1.720 1.00 1.00 C ATOM 77 CE3 TRP A 434 30.419 36.678 -0.103 1.00 1.00 C ATOM 78 CZ2 TRP A 434 31.334 38.903 1.347 1.00 1.00 C ATOM 79 CZ3 TRP A 434 30.041 37.977 -0.481 1.00 1.00 C ATOM 80 CH2 TRP A 434 30.497 39.087 0.243 1.00 1.00 C ATOM 0 H TRP A 434 31.080 33.531 3.622 1.00 1.00 H new ATOM 0 HA TRP A 434 29.495 34.085 1.370 1.00 1.00 H new ATOM 0 HB2 TRP A 434 32.410 33.238 1.700 1.00 1.00 H new ATOM 0 HB3 TRP A 434 31.730 33.742 0.165 1.00 1.00 H new ATOM 0 HD1 TRP A 434 33.112 35.086 3.359 1.00 1.00 H new ATOM 0 HE1 TRP A 434 32.974 37.666 3.429 1.00 1.00 H new ATOM 0 HE3 TRP A 434 30.062 35.830 -0.668 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 31.690 39.755 1.907 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 29.395 38.121 -1.335 1.00 1.00 H new ATOM 0 HH2 TRP A 434 30.202 40.083 -0.052 1.00 1.00 H new ATOM 91 N ASP A 435 30.479 30.957 1.693 1.00 1.00 N ATOM 92 CA ASP A 435 30.258 29.605 1.192 1.00 1.00 C ATOM 93 C ASP A 435 29.091 28.950 1.925 1.00 1.00 C ATOM 94 O ASP A 435 29.196 28.618 3.105 1.00 1.00 O ATOM 95 CB ASP A 435 31.521 28.764 1.383 1.00 1.00 C ATOM 96 CG ASP A 435 31.391 27.450 0.622 1.00 1.00 C ATOM 97 OD1 ASP A 435 30.313 27.184 0.115 1.00 1.00 O ATOM 98 OD2 ASP A 435 32.372 26.726 0.556 1.00 1.00 O ATOM 0 H ASP A 435 31.056 31.011 2.533 1.00 1.00 H new ATOM 0 HA ASP A 435 30.020 29.664 0.130 1.00 1.00 H new ATOM 0 HB2 ASP A 435 32.392 29.315 1.028 1.00 1.00 H new ATOM 0 HB3 ASP A 435 31.679 28.566 2.443 1.00 1.00 H new ATOM 103 N THR A 436 27.982 28.766 1.218 1.00 1.00 N ATOM 104 CA THR A 436 26.803 28.149 1.813 1.00 1.00 C ATOM 105 C THR A 436 27.087 26.699 2.190 1.00 1.00 C ATOM 106 O THR A 436 27.623 25.933 1.388 1.00 1.00 O ATOM 107 CB THR A 436 25.632 28.202 0.829 1.00 1.00 C ATOM 108 OG1 THR A 436 25.173 29.542 0.714 1.00 1.00 O ATOM 109 CG2 THR A 436 24.496 27.313 1.337 1.00 1.00 C ATOM 0 H THR A 436 27.875 29.033 0.239 1.00 1.00 H new ATOM 0 HA THR A 436 26.545 28.703 2.716 1.00 1.00 H new ATOM 0 HB THR A 436 25.960 27.845 -0.147 1.00 1.00 H new ATOM 0 HG1 THR A 436 24.424 29.578 0.083 1.00 1.00 H new ATOM 0 HG21 THR A 436 23.663 27.351 0.636 1.00 1.00 H new ATOM 0 HG22 THR A 436 24.849 26.286 1.425 1.00 1.00 H new ATOM 0 HG23 THR A 436 24.165 27.668 2.313 1.00 1.00 H new ATOM 117 N GLU A 437 26.723 26.326 3.413 1.00 1.00 N ATOM 118 CA GLU A 437 26.941 24.962 3.881 1.00 1.00 C ATOM 119 C GLU A 437 26.060 23.987 3.107 1.00 1.00 C ATOM 120 O GLU A 437 24.884 24.258 2.863 1.00 1.00 O ATOM 121 CB GLU A 437 26.623 24.866 5.374 1.00 1.00 C ATOM 122 CG GLU A 437 27.656 25.667 6.169 1.00 1.00 C ATOM 123 CD GLU A 437 27.301 25.650 7.652 1.00 1.00 C ATOM 124 OE1 GLU A 437 26.313 25.024 7.998 1.00 1.00 O ATOM 125 OE2 GLU A 437 28.022 26.265 8.420 1.00 1.00 O ATOM 0 H GLU A 437 26.279 26.944 4.093 1.00 1.00 H new ATOM 0 HA GLU A 437 27.986 24.701 3.716 1.00 1.00 H new ATOM 0 HB2 GLU A 437 25.622 25.250 5.569 1.00 1.00 H new ATOM 0 HB3 GLU A 437 26.632 23.824 5.692 1.00 1.00 H new ATOM 0 HG2 GLU A 437 28.649 25.244 6.020 1.00 1.00 H new ATOM 0 HG3 GLU A 437 27.689 26.694 5.806 1.00 1.00 H new ATOM 132 N SER A 438 26.634 22.852 2.721 1.00 1.00 N ATOM 133 CA SER A 438 25.887 21.848 1.974 1.00 1.00 C ATOM 134 C SER A 438 24.933 21.094 2.896 1.00 1.00 C ATOM 135 O SER A 438 25.127 21.056 4.110 1.00 1.00 O ATOM 136 CB SER A 438 26.850 20.861 1.316 1.00 1.00 C ATOM 137 OG SER A 438 27.492 20.090 2.323 1.00 1.00 O ATOM 0 H SER A 438 27.605 22.606 2.911 1.00 1.00 H new ATOM 0 HA SER A 438 25.306 22.355 1.204 1.00 1.00 H new ATOM 0 HB2 SER A 438 26.308 20.208 0.632 1.00 1.00 H new ATOM 0 HB3 SER A 438 27.592 21.398 0.725 1.00 1.00 H new ATOM 0 HG SER A 438 28.460 20.098 2.173 1.00 1.00 H new ATOM 143 N VAL A 439 23.903 20.491 2.308 1.00 1.00 N ATOM 144 CA VAL A 439 22.926 19.737 3.083 1.00 1.00 C ATOM 145 C VAL A 439 23.584 18.536 3.754 1.00 1.00 C ATOM 146 O VAL A 439 23.348 18.263 4.931 1.00 1.00 O ATOM 147 CB VAL A 439 21.795 19.258 2.172 1.00 1.00 C ATOM 148 CG1 VAL A 439 20.888 18.300 2.945 1.00 1.00 C ATOM 149 CG2 VAL A 439 20.978 20.461 1.699 1.00 1.00 C ATOM 0 H VAL A 439 23.725 20.510 1.304 1.00 1.00 H new ATOM 0 HA VAL A 439 22.520 20.391 3.854 1.00 1.00 H new ATOM 0 HB VAL A 439 22.217 18.742 1.310 1.00 1.00 H new ATOM 0 HG11 VAL A 439 20.082 17.959 2.296 1.00 1.00 H new ATOM 0 HG12 VAL A 439 21.469 17.442 3.284 1.00 1.00 H new ATOM 0 HG13 VAL A 439 20.466 18.815 3.808 1.00 1.00 H new ATOM 0 HG21 VAL A 439 20.172 20.120 1.050 1.00 1.00 H new ATOM 0 HG22 VAL A 439 20.556 20.976 2.562 1.00 1.00 H new ATOM 0 HG23 VAL A 439 21.623 21.145 1.148 1.00 1.00 H new ATOM 159 N LEU A 440 24.408 17.821 2.992 1.00 1.00 N ATOM 160 CA LEU A 440 25.098 16.644 3.509 1.00 1.00 C ATOM 161 C LEU A 440 26.599 16.738 3.230 1.00 1.00 C ATOM 162 O LEU A 440 27.089 16.160 2.265 1.00 1.00 O ATOM 163 CB LEU A 440 24.534 15.383 2.845 1.00 1.00 C ATOM 164 CG LEU A 440 25.131 14.128 3.496 1.00 1.00 C ATOM 165 CD1 LEU A 440 24.691 14.031 4.961 1.00 1.00 C ATOM 166 CD2 LEU A 440 24.646 12.888 2.742 1.00 1.00 C ATOM 0 H LEU A 440 24.613 18.036 2.016 1.00 1.00 H new ATOM 0 HA LEU A 440 24.942 16.594 4.587 1.00 1.00 H new ATOM 0 HB2 LEU A 440 23.448 15.369 2.939 1.00 1.00 H new ATOM 0 HB3 LEU A 440 24.762 15.392 1.779 1.00 1.00 H new ATOM 0 HG LEU A 440 26.218 14.189 3.453 1.00 1.00 H new ATOM 0 HD11 LEU A 440 25.121 13.137 5.412 1.00 1.00 H new ATOM 0 HD12 LEU A 440 25.035 14.912 5.503 1.00 1.00 H new ATOM 0 HD13 LEU A 440 23.604 13.976 5.011 1.00 1.00 H new ATOM 0 HD21 LEU A 440 25.068 11.994 3.202 1.00 1.00 H new ATOM 0 HD22 LEU A 440 23.558 12.839 2.785 1.00 1.00 H new ATOM 0 HD23 LEU A 440 24.966 12.946 1.702 1.00 1.00 H new ATOM 178 N PRO A 441 27.328 17.447 4.054 1.00 1.00 N ATOM 179 CA PRO A 441 28.807 17.613 3.890 1.00 1.00 C ATOM 180 C PRO A 441 29.533 16.270 3.801 1.00 1.00 C ATOM 181 O PRO A 441 30.545 16.143 3.110 1.00 1.00 O ATOM 182 CB PRO A 441 29.233 18.370 5.152 1.00 1.00 C ATOM 183 CG PRO A 441 28.003 19.066 5.630 1.00 1.00 C ATOM 184 CD PRO A 441 26.828 18.177 5.229 1.00 1.00 C ATOM 0 HA PRO A 441 29.055 18.136 2.966 1.00 1.00 H new ATOM 0 HB2 PRO A 441 29.617 17.687 5.909 1.00 1.00 H new ATOM 0 HB3 PRO A 441 30.028 19.083 4.933 1.00 1.00 H new ATOM 0 HG2 PRO A 441 28.032 19.210 6.710 1.00 1.00 H new ATOM 0 HG3 PRO A 441 27.915 20.055 5.179 1.00 1.00 H new ATOM 0 HD2 PRO A 441 26.548 17.497 6.033 1.00 1.00 H new ATOM 0 HD3 PRO A 441 25.944 18.767 4.988 1.00 1.00 H new ATOM 192 N MET A 442 29.013 15.283 4.519 1.00 1.00 N ATOM 193 CA MET A 442 29.613 13.951 4.543 1.00 1.00 C ATOM 194 C MET A 442 29.625 13.313 3.155 1.00 1.00 C ATOM 195 O MET A 442 30.175 12.226 2.974 1.00 1.00 O ATOM 196 CB MET A 442 28.839 13.052 5.510 1.00 1.00 C ATOM 197 CG MET A 442 29.049 13.544 6.943 1.00 1.00 C ATOM 198 SD MET A 442 28.140 12.476 8.087 1.00 1.00 S ATOM 199 CE MET A 442 28.352 13.496 9.566 1.00 1.00 C ATOM 0 H MET A 442 28.176 15.378 5.094 1.00 1.00 H new ATOM 0 HA MET A 442 30.645 14.057 4.876 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.778 13.063 5.262 1.00 1.00 H new ATOM 0 HB3 MET A 442 29.178 12.021 5.415 1.00 1.00 H new ATOM 0 HG2 MET A 442 30.111 13.538 7.189 1.00 1.00 H new ATOM 0 HG3 MET A 442 28.705 14.574 7.039 1.00 1.00 H new ATOM 0 HE1 MET A 442 27.859 13.017 10.412 1.00 1.00 H new ATOM 0 HE2 MET A 442 29.415 13.609 9.781 1.00 1.00 H new ATOM 0 HE3 MET A 442 27.910 14.478 9.397 1.00 1.00 H new ATOM 209 N TRP A 443 29.014 13.974 2.177 1.00 1.00 N ATOM 210 CA TRP A 443 28.977 13.424 0.826 1.00 1.00 C ATOM 211 C TRP A 443 30.397 13.148 0.339 1.00 1.00 C ATOM 212 O TRP A 443 30.666 12.116 -0.274 1.00 1.00 O ATOM 213 CB TRP A 443 28.305 14.411 -0.133 1.00 1.00 C ATOM 214 CG TRP A 443 29.270 15.498 -0.498 1.00 1.00 C ATOM 215 CD1 TRP A 443 29.439 16.657 0.180 1.00 1.00 C ATOM 216 CD2 TRP A 443 30.191 15.551 -1.628 1.00 1.00 C ATOM 217 NE1 TRP A 443 30.410 17.410 -0.453 1.00 1.00 N ATOM 218 CE2 TRP A 443 30.902 16.773 -1.573 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.477 14.665 -2.682 1.00 1.00 C ATOM 220 CZ2 TRP A 443 31.863 17.104 -2.530 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.443 14.996 -3.647 1.00 1.00 C ATOM 222 CH2 TRP A 443 32.134 16.214 -3.571 1.00 1.00 C ATOM 0 H TRP A 443 28.546 14.873 2.290 1.00 1.00 H new ATOM 0 HA TRP A 443 28.406 12.496 0.847 1.00 1.00 H new ATOM 0 HB2 TRP A 443 27.972 13.891 -1.031 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.419 14.840 0.334 1.00 1.00 H new ATOM 0 HD1 TRP A 443 28.902 16.947 1.071 1.00 1.00 H new ATOM 0 HE1 TRP A 443 30.724 18.325 -0.131 1.00 1.00 H new ATOM 0 HE3 TRP A 443 29.951 13.724 -2.750 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 32.393 18.043 -2.465 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 31.655 14.308 -4.452 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.875 16.463 -4.317 1.00 1.00 H new ATOM 233 N VAL A 444 31.303 14.075 0.632 1.00 1.00 N ATOM 234 CA VAL A 444 32.697 13.929 0.226 1.00 1.00 C ATOM 235 C VAL A 444 33.328 12.717 0.905 1.00 1.00 C ATOM 236 O VAL A 444 34.132 12.000 0.304 1.00 1.00 O ATOM 237 CB VAL A 444 33.482 15.190 0.595 1.00 1.00 C ATOM 238 CG1 VAL A 444 33.465 15.377 2.113 1.00 1.00 C ATOM 239 CG2 VAL A 444 34.929 15.048 0.116 1.00 1.00 C ATOM 0 H VAL A 444 31.099 14.932 1.147 1.00 1.00 H new ATOM 0 HA VAL A 444 32.729 13.784 -0.854 1.00 1.00 H new ATOM 0 HB VAL A 444 33.023 16.056 0.117 1.00 1.00 H new ATOM 0 HG11 VAL A 444 34.024 16.275 2.375 1.00 1.00 H new ATOM 0 HG12 VAL A 444 32.435 15.478 2.456 1.00 1.00 H new ATOM 0 HG13 VAL A 444 33.924 14.512 2.591 1.00 1.00 H new ATOM 0 HG21 VAL A 444 35.489 15.946 0.378 1.00 1.00 H new ATOM 0 HG22 VAL A 444 35.387 14.182 0.594 1.00 1.00 H new ATOM 0 HG23 VAL A 444 34.943 14.915 -0.966 1.00 1.00 H new ATOM 249 N LEU A 445 32.964 12.501 2.163 1.00 1.00 N ATOM 250 CA LEU A 445 33.503 11.383 2.925 1.00 1.00 C ATOM 251 C LEU A 445 33.107 10.054 2.288 1.00 1.00 C ATOM 252 O LEU A 445 33.890 9.100 2.246 1.00 1.00 O ATOM 253 CB LEU A 445 32.997 11.432 4.372 1.00 1.00 C ATOM 254 CG LEU A 445 33.618 12.632 5.098 1.00 1.00 C ATOM 255 CD1 LEU A 445 32.953 12.800 6.465 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.127 12.418 5.289 1.00 1.00 C ATOM 0 H LEU A 445 32.301 13.083 2.675 1.00 1.00 H new ATOM 0 HA LEU A 445 34.590 11.464 2.922 1.00 1.00 H new ATOM 0 HB2 LEU A 445 31.910 11.510 4.385 1.00 1.00 H new ATOM 0 HB3 LEU A 445 33.256 10.508 4.889 1.00 1.00 H new ATOM 0 HG LEU A 445 33.461 13.528 4.497 1.00 1.00 H new ATOM 0 HD11 LEU A 445 33.394 13.653 6.982 1.00 1.00 H new ATOM 0 HD12 LEU A 445 31.885 12.969 6.331 1.00 1.00 H new ATOM 0 HD13 LEU A 445 33.106 11.898 7.057 1.00 1.00 H new ATOM 0 HD21 LEU A 445 35.554 13.278 5.806 1.00 1.00 H new ATOM 0 HD22 LEU A 445 35.295 11.519 5.881 1.00 1.00 H new ATOM 0 HD23 LEU A 445 35.605 12.306 4.316 1.00 1.00 H new ATOM 268 N ALA A 446 31.858 10.001 1.828 1.00 1.00 N ATOM 269 CA ALA A 446 31.306 8.794 1.225 1.00 1.00 C ATOM 270 C ALA A 446 32.073 8.364 -0.023 1.00 1.00 C ATOM 271 O ALA A 446 32.357 7.186 -0.217 1.00 1.00 O ATOM 272 CB ALA A 446 29.841 9.030 0.849 1.00 1.00 C ATOM 0 H ALA A 446 31.208 10.786 1.863 1.00 1.00 H new ATOM 0 HA ALA A 446 31.392 7.997 1.964 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.431 8.126 0.398 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.271 9.280 1.744 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.776 9.852 0.136 1.00 1.00 H new ATOM 278 N LEU A 447 32.409 9.332 -0.869 1.00 1.00 N ATOM 279 CA LEU A 447 33.144 9.034 -2.096 1.00 1.00 C ATOM 280 C LEU A 447 34.527 8.467 -1.801 1.00 1.00 C ATOM 281 O LEU A 447 34.997 7.561 -2.494 1.00 1.00 O ATOM 282 CB LEU A 447 33.273 10.275 -2.988 1.00 1.00 C ATOM 283 CG LEU A 447 32.035 10.425 -3.889 1.00 1.00 C ATOM 284 CD1 LEU A 447 30.785 10.672 -3.047 1.00 1.00 C ATOM 285 CD2 LEU A 447 32.243 11.608 -4.839 1.00 1.00 C ATOM 0 H LEU A 447 32.188 10.318 -0.732 1.00 1.00 H new ATOM 0 HA LEU A 447 32.567 8.278 -2.629 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.389 11.164 -2.369 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.170 10.196 -3.603 1.00 1.00 H new ATOM 0 HG LEU A 447 31.901 9.505 -4.457 1.00 1.00 H new ATOM 0 HD11 LEU A 447 29.920 10.775 -3.702 1.00 1.00 H new ATOM 0 HD12 LEU A 447 30.630 9.831 -2.371 1.00 1.00 H new ATOM 0 HD13 LEU A 447 30.912 11.586 -2.467 1.00 1.00 H new ATOM 0 HD21 LEU A 447 31.368 11.718 -5.480 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.385 12.520 -4.259 1.00 1.00 H new ATOM 0 HD23 LEU A 447 33.124 11.429 -5.456 1.00 1.00 H new ATOM 297 N ILE A 448 35.193 9.032 -0.792 1.00 1.00 N ATOM 298 CA ILE A 448 36.551 8.614 -0.434 1.00 1.00 C ATOM 299 C ILE A 448 36.610 7.154 0.027 1.00 1.00 C ATOM 300 O ILE A 448 37.511 6.410 -0.366 1.00 1.00 O ATOM 301 CB ILE A 448 37.094 9.523 0.677 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.315 10.938 0.130 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.426 8.966 1.181 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.588 11.895 1.294 1.00 1.00 C ATOM 0 H ILE A 448 34.815 9.779 -0.209 1.00 1.00 H new ATOM 0 HA ILE A 448 37.165 8.701 -1.330 1.00 1.00 H new ATOM 0 HB ILE A 448 36.374 9.559 1.495 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.154 10.944 -0.565 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.437 11.266 -0.427 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.814 9.610 1.970 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.275 7.961 1.574 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.140 8.930 0.358 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.746 12.902 0.908 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.735 11.896 1.972 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.478 11.569 1.832 1.00 1.00 H new ATOM 316 N VAL A 449 35.663 6.748 0.867 1.00 1.00 N ATOM 317 CA VAL A 449 35.654 5.371 1.359 1.00 1.00 C ATOM 318 C VAL A 449 35.417 4.389 0.210 1.00 1.00 C ATOM 319 O VAL A 449 36.002 3.299 0.194 1.00 1.00 O ATOM 320 CB VAL A 449 34.597 5.196 2.457 1.00 1.00 C ATOM 321 CG1 VAL A 449 35.027 5.979 3.703 1.00 1.00 C ATOM 322 CG2 VAL A 449 33.264 5.743 1.963 1.00 1.00 C ATOM 0 H VAL A 449 34.907 7.336 1.216 1.00 1.00 H new ATOM 0 HA VAL A 449 36.630 5.154 1.792 1.00 1.00 H new ATOM 0 HB VAL A 449 34.496 4.139 2.701 1.00 1.00 H new ATOM 0 HG11 VAL A 449 34.278 5.857 4.486 1.00 1.00 H new ATOM 0 HG12 VAL A 449 35.986 5.602 4.057 1.00 1.00 H new ATOM 0 HG13 VAL A 449 35.122 7.036 3.454 1.00 1.00 H new ATOM 0 HG21 VAL A 449 32.510 5.621 2.740 1.00 1.00 H new ATOM 0 HG22 VAL A 449 33.371 6.801 1.725 1.00 1.00 H new ATOM 0 HG23 VAL A 449 32.956 5.199 1.070 1.00 1.00 H new ATOM 332 N ILE A 450 34.567 4.755 -0.754 1.00 1.00 N ATOM 333 CA ILE A 450 34.307 3.862 -1.881 1.00 1.00 C ATOM 334 C ILE A 450 35.590 3.673 -2.717 1.00 1.00 C ATOM 335 O ILE A 450 35.930 2.545 -3.097 1.00 1.00 O ATOM 336 CB ILE A 450 33.168 4.430 -2.758 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.841 4.434 -1.965 1.00 1.00 C ATOM 338 CG2 ILE A 450 33.008 3.585 -4.018 1.00 1.00 C ATOM 339 CD1 ILE A 450 31.460 3.019 -1.491 1.00 1.00 C ATOM 0 H ILE A 450 34.060 5.640 -0.777 1.00 1.00 H new ATOM 0 HA ILE A 450 33.998 2.890 -1.497 1.00 1.00 H new ATOM 0 HB ILE A 450 33.420 5.452 -3.041 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.934 5.095 -1.103 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.044 4.836 -2.590 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.203 3.993 -4.630 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.938 3.599 -4.586 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.768 2.559 -3.740 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.522 3.061 -0.937 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.342 2.365 -2.355 1.00 1.00 H new ATOM 0 HD13 ILE A 450 32.246 2.628 -0.845 1.00 1.00 H new ATOM 351 N PHE A 451 36.308 4.768 -2.993 1.00 1.00 N ATOM 352 CA PHE A 451 37.531 4.633 -3.805 1.00 1.00 C ATOM 353 C PHE A 451 38.510 3.631 -3.166 1.00 1.00 C ATOM 354 O PHE A 451 39.060 2.751 -3.855 1.00 1.00 O ATOM 355 CB PHE A 451 38.236 6.008 -3.986 1.00 1.00 C ATOM 356 CG PHE A 451 37.506 6.840 -5.021 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.464 6.408 -6.350 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.853 8.027 -4.649 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.776 7.152 -7.311 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.158 8.771 -5.613 1.00 1.00 C ATOM 361 CZ PHE A 451 36.119 8.332 -6.942 1.00 1.00 C ATOM 0 H PHE A 451 36.083 5.714 -2.686 1.00 1.00 H new ATOM 0 HA PHE A 451 37.232 4.259 -4.784 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.262 6.539 -3.035 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.270 5.856 -4.295 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.966 5.495 -6.635 1.00 1.00 H new ATOM 0 HD2 PHE A 451 36.886 8.365 -3.624 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.751 6.818 -8.338 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.653 9.683 -5.330 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.581 8.904 -7.683 1.00 1.00 H new ATOM 371 N LEU A 452 38.719 3.759 -1.857 1.00 1.00 N ATOM 372 CA LEU A 452 39.624 2.870 -1.118 1.00 1.00 C ATOM 373 C LEU A 452 39.095 1.438 -1.083 1.00 1.00 C ATOM 374 O LEU A 452 39.868 0.474 -1.104 1.00 1.00 O ATOM 375 CB LEU A 452 39.827 3.391 0.317 1.00 1.00 C ATOM 376 CG LEU A 452 40.825 2.507 1.078 1.00 1.00 C ATOM 377 CD1 LEU A 452 42.176 2.492 0.358 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.011 3.069 2.488 1.00 1.00 C ATOM 0 H LEU A 452 38.273 4.473 -1.281 1.00 1.00 H new ATOM 0 HA LEU A 452 40.582 2.863 -1.638 1.00 1.00 H new ATOM 0 HB2 LEU A 452 40.191 4.418 0.288 1.00 1.00 H new ATOM 0 HB3 LEU A 452 38.872 3.406 0.843 1.00 1.00 H new ATOM 0 HG LEU A 452 40.439 1.489 1.126 1.00 1.00 H new ATOM 0 HD11 LEU A 452 42.875 1.861 0.908 1.00 1.00 H new ATOM 0 HD12 LEU A 452 42.047 2.097 -0.650 1.00 1.00 H new ATOM 0 HD13 LEU A 452 42.570 3.507 0.302 1.00 1.00 H new ATOM 0 HD21 LEU A 452 41.719 2.448 3.037 1.00 1.00 H new ATOM 0 HD22 LEU A 452 41.394 4.087 2.426 1.00 1.00 H new ATOM 0 HD23 LEU A 452 40.053 3.073 3.007 1.00 1.00 H new ATOM 390 N THR A 453 37.780 1.308 -0.997 1.00 1.00 N ATOM 391 CA THR A 453 37.168 -0.014 -0.936 1.00 1.00 C ATOM 392 C THR A 453 37.441 -0.787 -2.221 1.00 1.00 C ATOM 393 O THR A 453 37.803 -1.967 -2.193 1.00 1.00 O ATOM 394 CB THR A 453 35.664 0.120 -0.717 1.00 1.00 C ATOM 395 OG1 THR A 453 35.429 0.796 0.514 1.00 1.00 O ATOM 396 CG2 THR A 453 35.026 -1.273 -0.677 1.00 1.00 C ATOM 0 H THR A 453 37.123 2.088 -0.968 1.00 1.00 H new ATOM 0 HA THR A 453 37.604 -0.563 -0.101 1.00 1.00 H new ATOM 0 HB THR A 453 35.222 0.691 -1.534 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.393 1.762 0.355 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.952 -1.177 -0.521 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.211 -1.785 -1.621 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.461 -1.849 0.139 1.00 1.00 H new ATOM 404 N ILE A 454 37.264 -0.102 -3.346 1.00 1.00 N ATOM 405 CA ILE A 454 37.488 -0.695 -4.660 1.00 1.00 C ATOM 406 C ILE A 454 38.955 -1.073 -4.837 1.00 1.00 C ATOM 407 O ILE A 454 39.280 -2.135 -5.366 1.00 1.00 O ATOM 408 CB ILE A 454 37.080 0.295 -5.758 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.561 0.496 -5.728 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.486 -0.267 -7.123 1.00 1.00 C ATOM 411 CD1 ILE A 454 35.176 1.680 -6.620 1.00 1.00 C ATOM 0 H ILE A 454 36.964 0.872 -3.374 1.00 1.00 H new ATOM 0 HA ILE A 454 36.880 -1.596 -4.737 1.00 1.00 H new ATOM 0 HB ILE A 454 37.578 1.250 -5.589 1.00 1.00 H new ATOM 0 HG12 ILE A 454 35.059 -0.408 -6.072 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.229 0.676 -4.706 1.00 1.00 H new ATOM 0 HG21 ILE A 454 37.197 0.434 -7.906 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.566 -0.415 -7.149 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.985 -1.221 -7.288 1.00 1.00 H new ATOM 0 HD11 ILE A 454 34.095 1.818 -6.595 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.666 2.583 -6.257 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.493 1.482 -7.644 1.00 1.00 H new ATOM 423 N ALA A 455 39.830 -0.167 -4.410 1.00 1.00 N ATOM 424 CA ALA A 455 41.265 -0.390 -4.553 1.00 1.00 C ATOM 425 C ALA A 455 41.720 -1.627 -3.784 1.00 1.00 C ATOM 426 O ALA A 455 42.510 -2.427 -4.290 1.00 1.00 O ATOM 427 CB ALA A 455 42.028 0.838 -4.050 1.00 1.00 C ATOM 0 H ALA A 455 39.576 0.716 -3.968 1.00 1.00 H new ATOM 0 HA ALA A 455 41.477 -0.554 -5.610 1.00 1.00 H new ATOM 0 HB1 ALA A 455 43.100 0.670 -4.157 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.737 1.711 -4.634 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.791 1.009 -3.000 1.00 1.00 H new ATOM 433 N VAL A 456 41.221 -1.783 -2.564 1.00 1.00 N ATOM 434 CA VAL A 456 41.589 -2.927 -1.739 1.00 1.00 C ATOM 435 C VAL A 456 41.100 -4.234 -2.354 1.00 1.00 C ATOM 436 O VAL A 456 41.848 -5.211 -2.409 1.00 1.00 O ATOM 437 CB VAL A 456 40.996 -2.770 -0.338 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.215 -4.060 0.455 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.684 -1.608 0.383 1.00 1.00 C ATOM 0 H VAL A 456 40.565 -1.137 -2.126 1.00 1.00 H new ATOM 0 HA VAL A 456 42.677 -2.961 -1.679 1.00 1.00 H new ATOM 0 HB VAL A 456 39.928 -2.567 -0.418 1.00 1.00 H new ATOM 0 HG11 VAL A 456 40.793 -3.949 1.454 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.725 -4.889 -0.056 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.283 -4.262 0.533 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.260 -1.497 1.381 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.752 -1.810 0.462 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.530 -0.688 -0.181 1.00 1.00 H new ATOM 449 N LEU A 457 39.855 -4.260 -2.816 1.00 1.00 N ATOM 450 CA LEU A 457 39.316 -5.475 -3.419 1.00 1.00 C ATOM 451 C LEU A 457 40.096 -5.843 -4.680 1.00 1.00 C ATOM 452 O LEU A 457 40.427 -7.008 -4.905 1.00 1.00 O ATOM 453 CB LEU A 457 37.840 -5.273 -3.773 1.00 1.00 C ATOM 454 CG LEU A 457 37.009 -5.173 -2.490 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.581 -4.756 -2.844 1.00 1.00 C ATOM 456 CD2 LEU A 457 36.979 -6.526 -1.764 1.00 1.00 C ATOM 0 H LEU A 457 39.210 -3.471 -2.787 1.00 1.00 H new ATOM 0 HA LEU A 457 39.410 -6.286 -2.697 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.719 -4.367 -4.367 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.486 -6.104 -4.383 1.00 1.00 H new ATOM 0 HG LEU A 457 37.462 -4.431 -1.833 1.00 1.00 H new ATOM 0 HD11 LEU A 457 34.987 -4.684 -1.933 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.598 -3.787 -3.344 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.139 -5.499 -3.508 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.385 -6.438 -0.855 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.536 -7.279 -2.416 1.00 1.00 H new ATOM 0 HD23 LEU A 457 37.995 -6.823 -1.506 1.00 1.00 H new ATOM 468 N LEU A 458 40.389 -4.831 -5.493 1.00 1.00 N ATOM 469 CA LEU A 458 41.137 -5.035 -6.731 1.00 1.00 C ATOM 470 C LEU A 458 42.557 -5.515 -6.446 1.00 1.00 C ATOM 471 O LEU A 458 43.089 -6.364 -7.163 1.00 1.00 O ATOM 472 CB LEU A 458 41.188 -3.737 -7.544 1.00 1.00 C ATOM 473 CG LEU A 458 39.796 -3.417 -8.102 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.809 -2.018 -8.720 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.403 -4.442 -9.175 1.00 1.00 C ATOM 0 H LEU A 458 40.120 -3.863 -5.317 1.00 1.00 H new ATOM 0 HA LEU A 458 40.621 -5.803 -7.307 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.535 -2.917 -6.915 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.903 -3.837 -8.361 1.00 1.00 H new ATOM 0 HG LEU A 458 39.070 -3.459 -7.290 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.821 -1.787 -9.118 1.00 1.00 H new ATOM 0 HD12 LEU A 458 40.073 -1.286 -7.957 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.542 -1.983 -9.526 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.413 -4.202 -9.562 1.00 1.00 H new ATOM 0 HD22 LEU A 458 40.127 -4.413 -9.989 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.389 -5.440 -8.737 1.00 1.00 H new ATOM 487 N ALA A 459 43.179 -4.946 -5.419 1.00 1.00 N ATOM 488 CA ALA A 459 44.550 -5.304 -5.077 1.00 1.00 C ATOM 489 C ALA A 459 44.663 -6.780 -4.709 1.00 1.00 C ATOM 490 O ALA A 459 45.606 -7.471 -5.102 1.00 1.00 O ATOM 491 CB ALA A 459 45.033 -4.449 -3.905 1.00 1.00 C ATOM 0 H ALA A 459 42.759 -4.241 -4.813 1.00 1.00 H new ATOM 0 HA ALA A 459 45.173 -5.120 -5.952 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.058 -4.721 -3.654 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.995 -3.396 -4.183 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.391 -4.620 -3.041 1.00 1.00 H new ATOM 497 N LEU A 460 43.698 -7.245 -3.925 1.00 1.00 N ATOM 498 CA LEU A 460 43.712 -8.631 -3.477 1.00 1.00 C ATOM 499 C LEU A 460 43.624 -9.588 -4.661 1.00 1.00 C ATOM 500 O LEU A 460 44.356 -10.575 -4.718 1.00 1.00 O ATOM 501 CB LEU A 460 42.533 -8.882 -2.532 1.00 1.00 C ATOM 502 CG LEU A 460 42.753 -8.129 -1.214 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.483 -8.204 -0.366 1.00 1.00 C ATOM 504 CD2 LEU A 460 43.923 -8.745 -0.434 1.00 1.00 C ATOM 0 H LEU A 460 42.908 -6.693 -3.591 1.00 1.00 H new ATOM 0 HA LEU A 460 44.651 -8.811 -2.953 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.605 -8.553 -2.999 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.431 -9.950 -2.339 1.00 1.00 H new ATOM 0 HG LEU A 460 42.987 -7.089 -1.439 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.639 -7.669 0.571 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.655 -7.750 -0.910 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.249 -9.247 -0.153 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.066 -8.199 0.499 1.00 1.00 H new ATOM 0 HD22 LEU A 460 43.703 -9.790 -0.213 1.00 1.00 H new ATOM 0 HD23 LEU A 460 44.832 -8.684 -1.033 1.00 1.00 H new ATOM 516 N ARG A 461 42.747 -9.295 -5.617 1.00 1.00 N ATOM 517 CA ARG A 461 42.616 -10.151 -6.790 1.00 1.00 C ATOM 518 C ARG A 461 43.888 -10.084 -7.631 1.00 1.00 C ATOM 519 O ARG A 461 44.400 -11.108 -8.086 1.00 1.00 O ATOM 520 CB ARG A 461 41.394 -9.711 -7.615 1.00 1.00 C ATOM 521 CG ARG A 461 41.171 -10.648 -8.815 1.00 1.00 C ATOM 522 CD ARG A 461 41.840 -10.088 -10.080 1.00 1.00 C ATOM 523 NE ARG A 461 41.548 -10.950 -11.220 1.00 1.00 N ATOM 524 CZ ARG A 461 42.224 -10.836 -12.359 1.00 1.00 C ATOM 525 NH1 ARG A 461 43.167 -9.942 -12.470 1.00 1.00 N ATOM 526 NH2 ARG A 461 41.944 -11.619 -13.365 1.00 1.00 N ATOM 0 H ARG A 461 42.127 -8.486 -5.604 1.00 1.00 H new ATOM 0 HA ARG A 461 42.471 -11.183 -6.472 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.506 -9.707 -6.982 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.538 -8.690 -7.968 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.576 -11.635 -8.591 1.00 1.00 H new ATOM 0 HG3 ARG A 461 40.102 -10.774 -8.989 1.00 1.00 H new ATOM 0 HD2 ARG A 461 41.480 -9.078 -10.275 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.918 -10.019 -9.932 1.00 1.00 H new ATOM 0 HE ARG A 461 40.812 -11.652 -11.142 1.00 1.00 H new ATOM 0 HH11 ARG A 461 43.385 -9.331 -11.683 1.00 1.00 H new ATOM 0 HH12 ARG A 461 43.686 -9.854 -13.344 1.00 1.00 H new ATOM 0 HH21 ARG A 461 41.207 -12.318 -13.277 1.00 1.00 H new ATOM 0 HH22 ARG A 461 42.463 -11.532 -14.239 1.00 1.00 H new ATOM 540 N PHE A 462 44.394 -8.866 -7.823 1.00 1.00 N ATOM 541 CA PHE A 462 45.610 -8.631 -8.595 1.00 1.00 C ATOM 542 C PHE A 462 46.802 -9.308 -7.942 1.00 1.00 C ATOM 543 O PHE A 462 47.593 -9.967 -8.607 1.00 1.00 O ATOM 544 CB PHE A 462 45.874 -7.128 -8.709 1.00 1.00 C ATOM 545 CG PHE A 462 47.128 -6.896 -9.518 1.00 1.00 C ATOM 546 CD1 PHE A 462 47.110 -7.074 -10.907 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.310 -6.501 -8.879 1.00 1.00 C ATOM 548 CE1 PHE A 462 48.273 -6.859 -11.655 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.472 -6.286 -9.628 1.00 1.00 C ATOM 550 CZ PHE A 462 49.454 -6.465 -11.016 1.00 1.00 C ATOM 0 H PHE A 462 43.972 -8.017 -7.448 1.00 1.00 H new ATOM 0 HA PHE A 462 45.470 -9.053 -9.590 1.00 1.00 H new ATOM 0 HB2 PHE A 462 45.026 -6.634 -9.183 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.983 -6.691 -7.716 1.00 1.00 H new ATOM 0 HD1 PHE A 462 46.199 -7.377 -11.401 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.325 -6.362 -7.808 1.00 1.00 H new ATOM 0 HE1 PHE A 462 48.259 -6.997 -12.726 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.383 -5.982 -9.135 1.00 1.00 H new ATOM 0 HZ PHE A 462 50.351 -6.299 -11.594 1.00 1.00 H new ATOM 560 N CYS A 463 46.919 -9.155 -6.633 1.00 1.00 N ATOM 561 CA CYS A 463 48.000 -9.766 -5.884 1.00 1.00 C ATOM 562 C CYS A 463 47.691 -11.232 -5.631 1.00 1.00 C ATOM 563 O CYS A 463 48.580 -12.021 -5.313 1.00 1.00 O ATOM 564 CB CYS A 463 48.190 -9.027 -4.559 1.00 1.00 C ATOM 565 SG CYS A 463 47.167 -9.801 -3.287 1.00 1.00 S ATOM 0 H CYS A 463 46.272 -8.608 -6.065 1.00 1.00 H new ATOM 0 HA CYS A 463 48.922 -9.699 -6.462 1.00 1.00 H new ATOM 0 HB2 CYS A 463 49.239 -9.053 -4.263 1.00 1.00 H new ATOM 0 HB3 CYS A 463 47.916 -7.978 -4.673 1.00 1.00 H new ATOM 0 HG CYS A 463 46.036 -10.174 -3.807 1.00 1.00 H new ATOM 571 N GLY A 464 46.418 -11.588 -5.775 1.00 1.00 N ATOM 572 CA GLY A 464 46.003 -12.966 -5.554 1.00 1.00 C ATOM 573 C GLY A 464 46.632 -13.909 -6.575 1.00 1.00 C ATOM 574 O GLY A 464 47.214 -14.929 -6.208 1.00 1.00 O ATOM 0 H GLY A 464 45.667 -10.951 -6.040 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.286 -13.276 -4.548 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.917 -13.034 -5.615 1.00 1.00 H new ATOM 578 N ILE A 465 46.514 -13.569 -7.857 1.00 1.00 N ATOM 579 CA ILE A 465 47.083 -14.408 -8.910 1.00 1.00 C ATOM 580 C ILE A 465 48.609 -14.397 -8.836 1.00 1.00 C ATOM 581 O ILE A 465 49.252 -15.434 -8.994 1.00 1.00 O ATOM 582 CB ILE A 465 46.626 -13.921 -10.289 1.00 1.00 C ATOM 583 CG1 ILE A 465 47.013 -14.951 -11.355 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.300 -12.587 -10.611 1.00 1.00 C ATOM 585 CD1 ILE A 465 46.319 -14.605 -12.673 1.00 1.00 C ATOM 0 H ILE A 465 46.037 -12.731 -8.189 1.00 1.00 H new ATOM 0 HA ILE A 465 46.730 -15.428 -8.761 1.00 1.00 H new ATOM 0 HB ILE A 465 45.544 -13.793 -10.282 1.00 1.00 H new ATOM 0 HG12 ILE A 465 48.094 -14.960 -11.492 1.00 1.00 H new ATOM 0 HG13 ILE A 465 46.725 -15.951 -11.031 1.00 1.00 H new ATOM 0 HG21 ILE A 465 46.974 -12.242 -11.592 1.00 1.00 H new ATOM 0 HG22 ILE A 465 47.025 -11.849 -9.857 1.00 1.00 H new ATOM 0 HG23 ILE A 465 48.382 -12.717 -10.614 1.00 1.00 H new ATOM 0 HD11 ILE A 465 46.594 -15.337 -13.432 1.00 1.00 H new ATOM 0 HD12 ILE A 465 45.239 -14.619 -12.530 1.00 1.00 H new ATOM 0 HD13 ILE A 465 46.629 -13.612 -12.998 1.00 1.00 H new ATOM 597 N TYR A 466 49.181 -13.223 -8.589 1.00 1.00 N ATOM 598 CA TYR A 466 50.634 -13.113 -8.491 1.00 1.00 C ATOM 599 C TYR A 466 51.132 -13.643 -7.150 1.00 1.00 C ATOM 600 O TYR A 466 52.303 -13.994 -7.007 1.00 1.00 O ATOM 601 CB TYR A 466 51.075 -11.660 -8.678 1.00 1.00 C ATOM 602 CG TYR A 466 51.147 -11.342 -10.154 1.00 1.00 C ATOM 603 CD1 TYR A 466 52.264 -11.739 -10.898 1.00 1.00 C ATOM 604 CD2 TYR A 466 50.102 -10.651 -10.778 1.00 1.00 C ATOM 605 CE1 TYR A 466 52.336 -11.448 -12.265 1.00 1.00 C ATOM 606 CE2 TYR A 466 50.173 -10.359 -12.146 1.00 1.00 C ATOM 607 CZ TYR A 466 51.290 -10.757 -12.889 1.00 1.00 C ATOM 608 OH TYR A 466 51.360 -10.469 -14.237 1.00 1.00 O ATOM 0 H TYR A 466 48.673 -12.349 -8.455 1.00 1.00 H new ATOM 0 HA TYR A 466 51.071 -13.719 -9.284 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.372 -10.989 -8.184 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.048 -11.501 -8.213 1.00 1.00 H new ATOM 0 HD1 TYR A 466 53.071 -12.271 -10.417 1.00 1.00 H new ATOM 0 HD2 TYR A 466 49.240 -10.343 -10.204 1.00 1.00 H new ATOM 0 HE1 TYR A 466 53.198 -11.756 -12.838 1.00 1.00 H new ATOM 0 HE2 TYR A 466 49.366 -9.827 -12.627 1.00 1.00 H new ATOM 0 HH TYR A 466 50.552 -9.987 -14.511 1.00 1.00 H new ATOM 618 N GLY A 467 50.234 -13.700 -6.171 1.00 1.00 N ATOM 619 CA GLY A 467 50.593 -14.192 -4.846 1.00 1.00 C ATOM 620 C GLY A 467 51.282 -13.108 -4.025 1.00 1.00 C ATOM 621 O GLY A 467 51.908 -13.395 -3.005 1.00 1.00 O ATOM 0 H GLY A 467 49.260 -13.414 -6.269 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.697 -14.532 -4.326 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.253 -15.054 -4.942 1.00 1.00 H new ATOM 625 N TYR A 468 51.155 -11.864 -4.475 1.00 1.00 N ATOM 626 CA TYR A 468 51.764 -10.734 -3.777 1.00 1.00 C ATOM 627 C TYR A 468 53.269 -10.935 -3.617 1.00 1.00 C ATOM 628 O TYR A 468 53.718 -11.903 -3.005 1.00 1.00 O ATOM 629 CB TYR A 468 51.123 -10.567 -2.397 1.00 1.00 C ATOM 630 CG TYR A 468 51.753 -9.392 -1.687 1.00 1.00 C ATOM 631 CD1 TYR A 468 51.382 -8.086 -2.027 1.00 1.00 C ATOM 632 CD2 TYR A 468 52.710 -9.610 -0.688 1.00 1.00 C ATOM 633 CE1 TYR A 468 51.967 -6.998 -1.369 1.00 1.00 C ATOM 634 CE2 TYR A 468 53.295 -8.523 -0.030 1.00 1.00 C ATOM 635 CZ TYR A 468 52.924 -7.215 -0.370 1.00 1.00 C ATOM 636 OH TYR A 468 53.500 -6.143 0.279 1.00 1.00 O ATOM 0 H TYR A 468 50.638 -11.612 -5.317 1.00 1.00 H new ATOM 0 HA TYR A 468 51.595 -9.837 -4.373 1.00 1.00 H new ATOM 0 HB2 TYR A 468 50.049 -10.410 -2.500 1.00 1.00 H new ATOM 0 HB3 TYR A 468 51.258 -11.475 -1.810 1.00 1.00 H new ATOM 0 HD1 TYR A 468 50.644 -7.918 -2.797 1.00 1.00 H new ATOM 0 HD2 TYR A 468 52.996 -10.618 -0.426 1.00 1.00 H new ATOM 0 HE1 TYR A 468 51.680 -5.991 -1.632 1.00 1.00 H new ATOM 0 HE2 TYR A 468 54.033 -8.692 0.740 1.00 1.00 H new ATOM 0 HH TYR A 468 52.975 -5.334 0.104 1.00 1.00 H new ATOM 646 N ARG A 469 54.043 -10.006 -4.170 1.00 1.00 N ATOM 647 CA ARG A 469 55.496 -10.086 -4.081 1.00 1.00 C ATOM 648 C ARG A 469 55.967 -9.701 -2.682 1.00 1.00 C ATOM 649 O ARG A 469 55.384 -8.828 -2.040 1.00 1.00 O ATOM 650 CB ARG A 469 56.135 -9.155 -5.112 1.00 1.00 C ATOM 651 CG ARG A 469 55.864 -9.687 -6.520 1.00 1.00 C ATOM 652 CD ARG A 469 56.458 -8.727 -7.552 1.00 1.00 C ATOM 653 NE ARG A 469 56.212 -9.223 -8.902 1.00 1.00 N ATOM 654 CZ ARG A 469 56.547 -8.505 -9.969 1.00 1.00 C ATOM 655 NH1 ARG A 469 57.104 -7.335 -9.819 1.00 1.00 N ATOM 656 NH2 ARG A 469 56.317 -8.969 -11.167 1.00 1.00 N ATOM 0 H ARG A 469 53.692 -9.196 -4.680 1.00 1.00 H new ATOM 0 HA ARG A 469 55.799 -11.113 -4.285 1.00 1.00 H new ATOM 0 HB2 ARG A 469 55.730 -8.148 -5.008 1.00 1.00 H new ATOM 0 HB3 ARG A 469 57.209 -9.086 -4.939 1.00 1.00 H new ATOM 0 HG2 ARG A 469 56.302 -10.679 -6.636 1.00 1.00 H new ATOM 0 HG3 ARG A 469 54.791 -9.792 -6.680 1.00 1.00 H new ATOM 0 HD2 ARG A 469 56.017 -7.737 -7.435 1.00 1.00 H new ATOM 0 HD3 ARG A 469 57.530 -8.620 -7.386 1.00 1.00 H new ATOM 0 HE ARG A 469 55.776 -10.136 -9.029 1.00 1.00 H new ATOM 0 HH11 ARG A 469 57.282 -6.971 -8.883 1.00 1.00 H new ATOM 0 HH12 ARG A 469 57.361 -6.784 -10.638 1.00 1.00 H new ATOM 0 HH21 ARG A 469 55.880 -9.883 -11.285 1.00 1.00 H new ATOM 0 HH22 ARG A 469 56.574 -8.418 -11.986 1.00 1.00 H new ATOM 670 N LEU A 470 57.026 -10.357 -2.216 1.00 1.00 N ATOM 671 CA LEU A 470 57.564 -10.072 -0.891 1.00 1.00 C ATOM 672 C LEU A 470 58.320 -8.747 -0.893 1.00 1.00 C ATOM 673 O LEU A 470 59.015 -8.420 -1.854 1.00 1.00 O ATOM 674 CB LEU A 470 58.507 -11.198 -0.457 1.00 1.00 C ATOM 675 CG LEU A 470 57.702 -12.479 -0.212 1.00 1.00 C ATOM 676 CD1 LEU A 470 58.662 -13.650 0.008 1.00 1.00 C ATOM 677 CD2 LEU A 470 56.805 -12.319 1.024 1.00 1.00 C ATOM 0 H LEU A 470 57.524 -11.083 -2.731 1.00 1.00 H new ATOM 0 HA LEU A 470 56.733 -10.002 -0.189 1.00 1.00 H new ATOM 0 HB2 LEU A 470 59.260 -11.371 -1.226 1.00 1.00 H new ATOM 0 HB3 LEU A 470 59.038 -10.911 0.451 1.00 1.00 H new ATOM 0 HG LEU A 470 57.075 -12.672 -1.082 1.00 1.00 H new ATOM 0 HD11 LEU A 470 58.090 -14.561 0.182 1.00 1.00 H new ATOM 0 HD12 LEU A 470 59.288 -13.778 -0.875 1.00 1.00 H new ATOM 0 HD13 LEU A 470 59.292 -13.446 0.874 1.00 1.00 H new ATOM 0 HD21 LEU A 470 56.240 -13.237 1.185 1.00 1.00 H new ATOM 0 HD22 LEU A 470 57.423 -12.116 1.898 1.00 1.00 H new ATOM 0 HD23 LEU A 470 56.114 -11.490 0.868 1.00 1.00 H new ATOM 689 N ARG A 471 58.177 -7.988 0.190 1.00 1.00 N ATOM 690 CA ARG A 471 58.848 -6.698 0.300 1.00 1.00 C ATOM 691 C ARG A 471 60.363 -6.884 0.319 1.00 1.00 C ATOM 692 O ARG A 471 61.102 -6.107 -0.286 1.00 1.00 O ATOM 693 CB ARG A 471 58.403 -5.986 1.579 1.00 1.00 C ATOM 694 CG ARG A 471 56.955 -5.521 1.428 1.00 1.00 C ATOM 695 CD ARG A 471 56.496 -4.853 2.723 1.00 1.00 C ATOM 696 NE ARG A 471 55.125 -4.376 2.589 1.00 1.00 N ATOM 697 CZ ARG A 471 54.090 -5.165 2.860 1.00 1.00 C ATOM 698 NH1 ARG A 471 54.287 -6.397 3.243 1.00 1.00 N ATOM 699 NH2 ARG A 471 52.874 -4.708 2.739 1.00 1.00 N ATOM 0 H ARG A 471 57.607 -8.242 0.997 1.00 1.00 H new ATOM 0 HA ARG A 471 58.578 -6.092 -0.565 1.00 1.00 H new ATOM 0 HB2 ARG A 471 58.493 -6.659 2.432 1.00 1.00 H new ATOM 0 HB3 ARG A 471 59.051 -5.132 1.777 1.00 1.00 H new ATOM 0 HG2 ARG A 471 56.871 -4.822 0.596 1.00 1.00 H new ATOM 0 HG3 ARG A 471 56.312 -6.370 1.196 1.00 1.00 H new ATOM 0 HD2 ARG A 471 56.563 -5.561 3.549 1.00 1.00 H new ATOM 0 HD3 ARG A 471 57.156 -4.020 2.964 1.00 1.00 H new ATOM 0 HE ARG A 471 54.957 -3.418 2.281 1.00 1.00 H new ATOM 0 HH11 ARG A 471 55.237 -6.757 3.335 1.00 1.00 H new ATOM 0 HH12 ARG A 471 53.491 -7.000 3.450 1.00 1.00 H new ATOM 0 HH21 ARG A 471 52.718 -3.746 2.437 1.00 1.00 H new ATOM 0 HH22 ARG A 471 52.079 -5.312 2.947 1.00 1.00 H new ATOM 713 N ARG A 472 60.819 -7.919 1.018 1.00 1.00 N ATOM 714 CA ARG A 472 62.248 -8.196 1.110 1.00 1.00 C ATOM 715 C ARG A 472 62.811 -8.553 -0.263 1.00 1.00 C ATOM 716 O ARG A 472 63.915 -8.139 -0.619 1.00 1.00 O ATOM 717 CB ARG A 472 62.494 -9.353 2.080 1.00 1.00 C ATOM 718 CG ARG A 472 62.219 -8.886 3.511 1.00 1.00 C ATOM 719 CD ARG A 472 62.423 -10.053 4.477 1.00 1.00 C ATOM 720 NE ARG A 472 62.159 -9.627 5.847 1.00 1.00 N ATOM 721 CZ ARG A 472 63.126 -9.142 6.621 1.00 1.00 C ATOM 722 NH1 ARG A 472 64.340 -9.014 6.156 1.00 1.00 N ATOM 723 NH2 ARG A 472 62.859 -8.784 7.848 1.00 1.00 N ATOM 0 H ARG A 472 60.225 -8.575 1.525 1.00 1.00 H new ATOM 0 HA ARG A 472 62.751 -7.301 1.477 1.00 1.00 H new ATOM 0 HB2 ARG A 472 61.848 -10.195 1.830 1.00 1.00 H new ATOM 0 HB3 ARG A 472 63.522 -9.703 1.992 1.00 1.00 H new ATOM 0 HG2 ARG A 472 62.886 -8.064 3.771 1.00 1.00 H new ATOM 0 HG3 ARG A 472 61.200 -8.507 3.592 1.00 1.00 H new ATOM 0 HD2 ARG A 472 61.759 -10.875 4.210 1.00 1.00 H new ATOM 0 HD3 ARG A 472 63.443 -10.428 4.395 1.00 1.00 H new ATOM 0 HE ARG A 472 61.212 -9.703 6.219 1.00 1.00 H new ATOM 0 HH11 ARG A 472 64.550 -9.286 5.196 1.00 1.00 H new ATOM 0 HH12 ARG A 472 65.078 -8.642 6.753 1.00 1.00 H new ATOM 0 HH21 ARG A 472 61.910 -8.877 8.211 1.00 1.00 H new ATOM 0 HH22 ARG A 472 63.599 -8.412 8.443 1.00 1.00 H new ATOM 737 N LYS A 473 62.044 -9.320 -1.030 1.00 1.00 N ATOM 738 CA LYS A 473 62.476 -9.725 -2.363 1.00 1.00 C ATOM 739 C LYS A 473 62.480 -8.528 -3.309 1.00 1.00 C ATOM 740 O LYS A 473 61.456 -7.871 -3.407 1.00 1.00 O ATOM 741 CB LYS A 473 61.541 -10.809 -2.908 1.00 1.00 C ATOM 742 CG LYS A 473 62.065 -11.312 -4.255 1.00 1.00 C ATOM 743 CD LYS A 473 61.159 -12.434 -4.768 1.00 1.00 C ATOM 744 CE LYS A 473 61.691 -12.948 -6.107 1.00 1.00 C ATOM 745 NZ LYS A 473 60.819 -14.052 -6.597 1.00 1.00 N ATOM 746 OXT LYS A 473 63.507 -8.284 -3.921 1.00 1.00 O ATOM 0 H LYS A 473 61.127 -9.672 -0.755 1.00 1.00 H new ATOM 0 HA LYS A 473 63.489 -10.122 -2.294 1.00 1.00 H new ATOM 0 HB2 LYS A 473 61.476 -11.636 -2.201 1.00 1.00 H new ATOM 0 HB3 LYS A 473 60.534 -10.409 -3.025 1.00 1.00 H new ATOM 0 HG2 LYS A 473 62.092 -10.494 -4.975 1.00 1.00 H new ATOM 0 HG3 LYS A 473 63.087 -11.676 -4.147 1.00 1.00 H new ATOM 0 HD2 LYS A 473 61.123 -13.247 -4.043 1.00 1.00 H new ATOM 0 HD3 LYS A 473 60.139 -12.067 -4.886 1.00 1.00 H new ATOM 0 HE2 LYS A 473 61.715 -12.138 -6.836 1.00 1.00 H new ATOM 0 HE3 LYS A 473 62.715 -13.303 -5.991 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 61.180 -14.402 -7.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 60.818 -14.827 -5.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 59.849 -13.699 -6.722 1.00 1.00 H new TER 760 LYS A 473