USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 523 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 477 SER OG : rot 180:sc= 0 USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 CYS SG : rot -98:sc= 1.05 USER MOD Single : A 486 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.1) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 493 ASN : amide:sc= 0.835 K(o=0.84,f=0) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 511 SER OG : rot -25:sc= 0.00761 USER MOD Single : A 513 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.526) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 180:sc= 0 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 473 -0.366 0.839 4.244 1.00 0.00 N ATOM 2 CA GLY A 473 -0.220 -0.062 3.087 1.00 0.00 C ATOM 3 C GLY A 473 1.228 -0.178 2.603 1.00 0.00 C ATOM 4 O GLY A 473 2.086 0.597 3.041 1.00 0.00 O ATOM 0 HA2 GLY A 473 -0.589 -1.052 3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 473 -0.843 0.300 2.270 1.00 0.00 H new ATOM 8 N PRO A 474 1.527 -1.113 1.673 1.00 0.00 N ATOM 9 CA PRO A 474 2.850 -1.244 1.049 1.00 0.00 C ATOM 10 C PRO A 474 3.159 -0.133 0.025 1.00 0.00 C ATOM 11 O PRO A 474 4.332 0.136 -0.248 1.00 0.00 O ATOM 12 CB PRO A 474 2.843 -2.630 0.394 1.00 0.00 C ATOM 13 CG PRO A 474 1.372 -2.867 0.057 1.00 0.00 C ATOM 14 CD PRO A 474 0.628 -2.155 1.186 1.00 0.00 C ATOM 0 HA PRO A 474 3.638 -1.138 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 474 3.467 -2.653 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 474 3.226 -3.394 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 474 1.112 -2.454 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 474 1.133 -3.930 0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 474 -0.307 -1.725 0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 474 0.372 -2.852 1.984 1.00 0.00 H new ATOM 22 N LEU A 475 2.135 0.529 -0.535 1.00 0.00 N ATOM 23 CA LEU A 475 2.290 1.692 -1.424 1.00 0.00 C ATOM 24 C LEU A 475 2.781 2.932 -0.649 1.00 0.00 C ATOM 25 O LEU A 475 2.386 3.174 0.495 1.00 0.00 O ATOM 26 CB LEU A 475 0.958 2.022 -2.133 1.00 0.00 C ATOM 27 CG LEU A 475 0.610 1.146 -3.353 1.00 0.00 C ATOM 28 CD1 LEU A 475 0.268 -0.300 -2.987 1.00 0.00 C ATOM 29 CD2 LEU A 475 -0.599 1.740 -4.080 1.00 0.00 C ATOM 0 H LEU A 475 1.161 0.268 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 475 3.039 1.430 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 475 0.151 1.936 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 475 0.988 3.063 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 475 1.501 1.133 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 475 0.033 -0.859 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 475 1.120 -0.760 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 475 -0.594 -0.312 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 475 -0.845 1.121 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 475 -1.452 1.773 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 475 -0.362 2.750 -4.414 1.00 0.00 H new ATOM 41 N GLY A 476 3.599 3.752 -1.313 1.00 0.00 N ATOM 42 CA GLY A 476 4.086 5.046 -0.822 1.00 0.00 C ATOM 43 C GLY A 476 5.209 5.613 -1.701 1.00 0.00 C ATOM 44 O GLY A 476 5.827 4.883 -2.483 1.00 0.00 O ATOM 0 H GLY A 476 3.954 3.526 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 476 3.259 5.755 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 476 4.449 4.932 0.200 1.00 0.00 H new ATOM 48 N SER A 477 5.482 6.917 -1.583 1.00 0.00 N ATOM 49 CA SER A 477 6.552 7.597 -2.332 1.00 0.00 C ATOM 50 C SER A 477 7.016 8.893 -1.650 1.00 0.00 C ATOM 51 O SER A 477 6.245 9.566 -0.959 1.00 0.00 O ATOM 52 CB SER A 477 6.061 7.917 -3.753 1.00 0.00 C ATOM 53 OG SER A 477 7.149 8.239 -4.606 1.00 0.00 O ATOM 0 H SER A 477 4.964 7.538 -0.961 1.00 0.00 H new ATOM 0 HA SER A 477 7.406 6.920 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 477 5.519 7.061 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 477 5.360 8.751 -3.720 1.00 0.00 H new ATOM 0 HG SER A 477 6.812 8.437 -5.505 1.00 0.00 H new ATOM 59 N GLY A 478 8.286 9.242 -1.870 1.00 0.00 N ATOM 60 CA GLY A 478 8.936 10.466 -1.399 1.00 0.00 C ATOM 61 C GLY A 478 10.468 10.379 -1.448 1.00 0.00 C ATOM 62 O GLY A 478 11.046 9.303 -1.632 1.00 0.00 O ATOM 0 H GLY A 478 8.919 8.650 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 478 8.604 11.307 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 478 8.620 10.670 -0.376 1.00 0.00 H new ATOM 66 N ALA A 479 11.124 11.524 -1.246 1.00 0.00 N ATOM 67 CA ALA A 479 12.588 11.681 -1.196 1.00 0.00 C ATOM 68 C ALA A 479 13.059 12.537 0.007 1.00 0.00 C ATOM 69 O ALA A 479 14.203 12.995 0.054 1.00 0.00 O ATOM 70 CB ALA A 479 13.045 12.258 -2.545 1.00 0.00 C ATOM 0 H ALA A 479 10.633 12.407 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 479 13.053 10.708 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 479 14.127 12.386 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 479 12.765 11.574 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 479 12.567 13.224 -2.708 1.00 0.00 H new ATOM 76 N LEU A 480 12.160 12.768 0.975 1.00 0.00 N ATOM 77 CA LEU A 480 12.349 13.609 2.158 1.00 0.00 C ATOM 78 C LEU A 480 11.481 13.110 3.327 1.00 0.00 C ATOM 79 O LEU A 480 10.345 12.673 3.127 1.00 0.00 O ATOM 80 CB LEU A 480 12.042 15.094 1.836 1.00 0.00 C ATOM 81 CG LEU A 480 10.728 15.437 1.078 1.00 0.00 C ATOM 82 CD1 LEU A 480 10.335 16.896 1.334 1.00 0.00 C ATOM 83 CD2 LEU A 480 10.857 15.291 -0.444 1.00 0.00 C ATOM 0 H LEU A 480 11.231 12.348 0.948 1.00 0.00 H new ATOM 0 HA LEU A 480 13.394 13.540 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 480 12.033 15.642 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 480 12.874 15.484 1.249 1.00 0.00 H new ATOM 0 HG LEU A 480 9.984 14.733 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 480 9.414 17.124 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 480 10.181 17.049 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 480 11.131 17.554 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 480 9.907 15.544 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 480 11.634 15.962 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 480 11.121 14.262 -0.690 1.00 0.00 H new ATOM 95 N LYS A 481 12.013 13.213 4.554 1.00 0.00 N ATOM 96 CA LYS A 481 11.342 12.868 5.823 1.00 0.00 C ATOM 97 C LYS A 481 11.358 14.089 6.752 1.00 0.00 C ATOM 98 O LYS A 481 12.421 14.613 7.092 1.00 0.00 O ATOM 99 CB LYS A 481 12.021 11.663 6.514 1.00 0.00 C ATOM 100 CG LYS A 481 11.618 10.268 6.004 1.00 0.00 C ATOM 101 CD LYS A 481 12.160 9.906 4.611 1.00 0.00 C ATOM 102 CE LYS A 481 12.027 8.407 4.301 1.00 0.00 C ATOM 103 NZ LYS A 481 10.609 7.965 4.191 1.00 0.00 N ATOM 0 H LYS A 481 12.964 13.553 4.699 1.00 0.00 H new ATOM 0 HA LYS A 481 10.313 12.583 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 481 13.100 11.769 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 481 11.803 11.713 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 481 11.966 9.522 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 481 10.530 10.206 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 481 11.623 10.479 3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 481 13.209 10.196 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 481 12.545 8.186 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 481 12.522 7.833 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 10.578 6.947 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 10.117 8.149 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 10.140 8.490 3.426 1.00 0.00 H new ATOM 117 N TRP A 482 10.166 14.530 7.149 1.00 0.00 N ATOM 118 CA TRP A 482 9.913 15.723 7.969 1.00 0.00 C ATOM 119 C TRP A 482 8.914 15.391 9.085 1.00 0.00 C ATOM 120 O TRP A 482 8.187 14.396 9.016 1.00 0.00 O ATOM 121 CB TRP A 482 9.373 16.860 7.085 1.00 0.00 C ATOM 122 CG TRP A 482 10.348 17.495 6.135 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.897 16.892 5.055 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.870 18.863 6.120 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.762 17.762 4.420 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.760 19.001 5.014 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.665 20.018 6.909 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.413 20.199 4.701 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.317 21.231 6.612 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.188 21.327 5.511 1.00 0.00 C ATOM 0 H TRP A 482 9.305 14.044 6.897 1.00 0.00 H new ATOM 0 HA TRP A 482 10.848 16.048 8.425 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.536 16.472 6.505 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.976 17.639 7.736 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.690 15.881 4.737 1.00 0.00 H new ATOM 0 HE1 TRP A 482 12.332 17.515 3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.996 19.970 7.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 13.078 20.256 3.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.147 22.096 7.236 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.681 22.262 5.289 1.00 0.00 H new ATOM 141 N VAL A 483 8.867 16.242 10.112 1.00 0.00 N ATOM 142 CA VAL A 483 8.030 16.060 11.308 1.00 0.00 C ATOM 143 C VAL A 483 7.228 17.329 11.586 1.00 0.00 C ATOM 144 O VAL A 483 7.779 18.420 11.764 1.00 0.00 O ATOM 145 CB VAL A 483 8.856 15.619 12.540 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.402 14.203 12.323 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.027 16.551 12.883 1.00 0.00 C ATOM 0 H VAL A 483 9.421 17.098 10.139 1.00 0.00 H new ATOM 0 HA VAL A 483 7.330 15.248 11.108 1.00 0.00 H new ATOM 0 HB VAL A 483 8.166 15.656 13.383 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.982 13.899 13.194 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.572 13.511 12.181 1.00 0.00 H new ATOM 0 HG13 VAL A 483 10.040 14.191 11.440 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.552 16.169 13.758 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.715 16.597 12.039 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.647 17.550 13.096 1.00 0.00 H new ATOM 157 N LEU A 484 5.904 17.191 11.566 1.00 0.00 N ATOM 158 CA LEU A 484 4.985 18.243 11.984 1.00 0.00 C ATOM 159 C LEU A 484 5.060 18.370 13.517 1.00 0.00 C ATOM 160 O LEU A 484 5.072 17.366 14.235 1.00 0.00 O ATOM 161 CB LEU A 484 3.575 17.875 11.483 1.00 0.00 C ATOM 162 CG LEU A 484 2.522 18.998 11.583 1.00 0.00 C ATOM 163 CD1 LEU A 484 2.847 20.194 10.683 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.157 18.454 11.153 1.00 0.00 C ATOM 0 H LEU A 484 5.437 16.339 11.257 1.00 0.00 H new ATOM 0 HA LEU A 484 5.246 19.213 11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.649 17.561 10.442 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.219 17.015 12.051 1.00 0.00 H new ATOM 0 HG LEU A 484 2.518 19.334 12.620 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.073 20.954 10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 484 3.811 20.614 10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 484 2.888 19.867 9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.411 19.246 11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.214 18.099 10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 484 0.872 17.629 11.806 1.00 0.00 H new ATOM 176 N CYS A 485 5.130 19.589 14.043 1.00 0.00 N ATOM 177 CA CYS A 485 5.006 19.797 15.486 1.00 0.00 C ATOM 178 C CYS A 485 3.543 19.576 15.927 1.00 0.00 C ATOM 179 O CYS A 485 2.616 19.907 15.186 1.00 0.00 O ATOM 180 CB CYS A 485 5.508 21.209 15.805 1.00 0.00 C ATOM 181 SG CYS A 485 6.406 21.239 17.380 1.00 0.00 S ATOM 0 H CYS A 485 5.270 20.441 13.500 1.00 0.00 H new ATOM 0 HA CYS A 485 5.610 19.079 16.041 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.160 21.557 15.004 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.664 21.897 15.850 1.00 0.00 H new ATOM 0 HG CYS A 485 5.611 21.647 18.325 1.00 0.00 H new ATOM 187 N ASN A 486 3.313 19.061 17.138 1.00 0.00 N ATOM 188 CA ASN A 486 1.963 18.873 17.698 1.00 0.00 C ATOM 189 C ASN A 486 1.624 19.913 18.784 1.00 0.00 C ATOM 190 O ASN A 486 0.452 20.198 19.027 1.00 0.00 O ATOM 191 CB ASN A 486 1.835 17.428 18.226 1.00 0.00 C ATOM 192 CG ASN A 486 0.400 16.909 18.271 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.544 17.499 17.759 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.190 15.749 18.853 1.00 0.00 N ATOM 0 H ASN A 486 4.059 18.760 17.764 1.00 0.00 H new ATOM 0 HA ASN A 486 1.233 19.032 16.904 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.430 16.767 17.595 1.00 0.00 H new ATOM 0 HB3 ASN A 486 2.260 17.379 19.229 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.749 15.352 18.874 1.00 0.00 H new ATOM 0 HD22 ASN A 486 0.966 15.246 19.283 1.00 0.00 H new ATOM 201 N TYR A 487 2.652 20.517 19.394 1.00 0.00 N ATOM 202 CA TYR A 487 2.550 21.543 20.438 1.00 0.00 C ATOM 203 C TYR A 487 3.713 22.541 20.304 1.00 0.00 C ATOM 204 O TYR A 487 4.806 22.166 19.879 1.00 0.00 O ATOM 205 CB TYR A 487 2.582 20.869 21.823 1.00 0.00 C ATOM 206 CG TYR A 487 1.475 19.851 22.041 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.210 20.275 22.495 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.688 18.495 21.714 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.846 19.350 22.601 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.631 17.569 21.806 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.643 17.998 22.246 1.00 0.00 C ATOM 212 OH TYR A 487 -1.682 17.119 22.313 1.00 0.00 O ATOM 0 H TYR A 487 3.620 20.293 19.163 1.00 0.00 H new ATOM 0 HA TYR A 487 1.611 22.085 20.327 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.545 20.376 21.954 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.511 21.638 22.592 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.051 21.309 22.762 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.665 18.166 21.392 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.813 19.675 22.955 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.793 16.534 21.541 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.377 16.230 22.035 1.00 0.00 H new ATOM 222 N ASP A 488 3.493 23.812 20.651 1.00 0.00 N ATOM 223 CA ASP A 488 4.552 24.837 20.660 1.00 0.00 C ATOM 224 C ASP A 488 5.562 24.590 21.806 1.00 0.00 C ATOM 225 O ASP A 488 5.208 24.015 22.842 1.00 0.00 O ATOM 226 CB ASP A 488 3.947 26.244 20.805 1.00 0.00 C ATOM 227 CG ASP A 488 2.692 26.485 19.951 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.825 26.729 18.729 1.00 0.00 O ATOM 229 OD2 ASP A 488 1.567 26.441 20.505 1.00 0.00 O ATOM 0 H ASP A 488 2.578 24.164 20.934 1.00 0.00 H new ATOM 0 HA ASP A 488 5.079 24.769 19.708 1.00 0.00 H new ATOM 0 HB2 ASP A 488 3.697 26.413 21.852 1.00 0.00 H new ATOM 0 HB3 ASP A 488 4.703 26.981 20.535 1.00 0.00 H new ATOM 234 N PHE A 489 6.805 25.066 21.660 1.00 0.00 N ATOM 235 CA PHE A 489 7.855 24.928 22.682 1.00 0.00 C ATOM 236 C PHE A 489 8.891 26.055 22.591 1.00 0.00 C ATOM 237 O PHE A 489 9.478 26.294 21.534 1.00 0.00 O ATOM 238 CB PHE A 489 8.530 23.556 22.525 1.00 0.00 C ATOM 239 CG PHE A 489 9.617 23.236 23.536 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.269 22.822 24.837 1.00 0.00 C ATOM 241 CD2 PHE A 489 10.976 23.312 23.171 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.272 22.499 25.770 1.00 0.00 C ATOM 243 CE2 PHE A 489 11.975 22.958 24.095 1.00 0.00 C ATOM 244 CZ PHE A 489 11.627 22.571 25.398 1.00 0.00 C ATOM 0 H PHE A 489 7.114 25.562 20.824 1.00 0.00 H new ATOM 0 HA PHE A 489 7.393 25.002 23.667 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.762 22.785 22.588 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.960 23.496 21.525 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.229 22.752 25.119 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.251 23.643 22.180 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.002 22.196 26.771 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.014 22.984 23.801 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.398 22.329 26.114 1.00 0.00 H new ATOM 254 N GLN A 490 9.125 26.735 23.718 1.00 0.00 N ATOM 255 CA GLN A 490 10.126 27.797 23.845 1.00 0.00 C ATOM 256 C GLN A 490 11.497 27.224 24.253 1.00 0.00 C ATOM 257 O GLN A 490 11.614 26.465 25.218 1.00 0.00 O ATOM 258 CB GLN A 490 9.608 28.886 24.807 1.00 0.00 C ATOM 259 CG GLN A 490 9.424 28.454 26.278 1.00 0.00 C ATOM 260 CD GLN A 490 8.806 29.534 27.172 1.00 0.00 C ATOM 261 OE1 GLN A 490 8.412 30.616 26.747 1.00 0.00 O ATOM 262 NE2 GLN A 490 8.699 29.282 28.461 1.00 0.00 N ATOM 0 H GLN A 490 8.614 26.559 24.583 1.00 0.00 H new ATOM 0 HA GLN A 490 10.282 28.270 22.875 1.00 0.00 H new ATOM 0 HB2 GLN A 490 10.301 29.727 24.779 1.00 0.00 H new ATOM 0 HB3 GLN A 490 8.651 29.249 24.433 1.00 0.00 H new ATOM 0 HG2 GLN A 490 8.792 27.566 26.309 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.394 28.170 26.687 1.00 0.00 H new ATOM 0 HE21 GLN A 490 9.020 28.389 28.834 1.00 0.00 H new ATOM 0 HE22 GLN A 490 8.295 29.980 29.085 1.00 0.00 H new ATOM 271 N ALA A 491 12.541 27.586 23.500 1.00 0.00 N ATOM 272 CA ALA A 491 13.916 27.114 23.688 1.00 0.00 C ATOM 273 C ALA A 491 14.930 28.106 23.074 1.00 0.00 C ATOM 274 O ALA A 491 14.886 28.377 21.873 1.00 0.00 O ATOM 275 CB ALA A 491 14.050 25.725 23.056 1.00 0.00 C ATOM 0 H ALA A 491 12.449 28.236 22.719 1.00 0.00 H new ATOM 0 HA ALA A 491 14.137 27.049 24.753 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.069 25.362 23.189 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.354 25.038 23.537 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.822 25.786 21.992 1.00 0.00 H new ATOM 281 N ARG A 492 15.851 28.621 23.902 1.00 0.00 N ATOM 282 CA ARG A 492 16.972 29.520 23.522 1.00 0.00 C ATOM 283 C ARG A 492 18.232 29.297 24.386 1.00 0.00 C ATOM 284 O ARG A 492 19.081 30.184 24.518 1.00 0.00 O ATOM 285 CB ARG A 492 16.517 31.002 23.532 1.00 0.00 C ATOM 286 CG ARG A 492 15.623 31.371 22.334 1.00 0.00 C ATOM 287 CD ARG A 492 15.486 32.892 22.171 1.00 0.00 C ATOM 288 NE ARG A 492 14.800 33.241 20.909 1.00 0.00 N ATOM 289 CZ ARG A 492 13.500 33.365 20.698 1.00 0.00 C ATOM 290 NH1 ARG A 492 12.614 33.188 21.640 1.00 0.00 N ATOM 291 NH2 ARG A 492 13.056 33.680 19.514 1.00 0.00 N ATOM 0 H ARG A 492 15.842 28.418 24.902 1.00 0.00 H new ATOM 0 HA ARG A 492 17.259 29.264 22.502 1.00 0.00 H new ATOM 0 HB2 ARG A 492 15.975 31.203 24.456 1.00 0.00 H new ATOM 0 HB3 ARG A 492 17.397 31.645 23.532 1.00 0.00 H new ATOM 0 HG2 ARG A 492 16.042 30.944 21.423 1.00 0.00 H new ATOM 0 HG3 ARG A 492 14.635 30.929 22.468 1.00 0.00 H new ATOM 0 HD2 ARG A 492 14.929 33.301 23.014 1.00 0.00 H new ATOM 0 HD3 ARG A 492 16.474 33.352 22.189 1.00 0.00 H new ATOM 0 HE ARG A 492 15.402 33.406 20.103 1.00 0.00 H new ATOM 0 HH11 ARG A 492 12.915 32.944 22.584 1.00 0.00 H new ATOM 0 HH12 ARG A 492 11.621 33.294 21.433 1.00 0.00 H new ATOM 0 HH21 ARG A 492 13.711 33.832 18.747 1.00 0.00 H new ATOM 0 HH22 ARG A 492 12.053 33.775 19.354 1.00 0.00 H new ATOM 305 N ASN A 493 18.350 28.116 25.001 1.00 0.00 N ATOM 306 CA ASN A 493 19.546 27.688 25.739 1.00 0.00 C ATOM 307 C ASN A 493 20.740 27.425 24.790 1.00 0.00 C ATOM 308 O ASN A 493 20.605 27.514 23.567 1.00 0.00 O ATOM 309 CB ASN A 493 19.163 26.468 26.604 1.00 0.00 C ATOM 310 CG ASN A 493 18.115 26.822 27.658 1.00 0.00 C ATOM 311 OD1 ASN A 493 18.332 27.676 28.508 1.00 0.00 O ATOM 312 ND2 ASN A 493 16.957 26.204 27.638 1.00 0.00 N ATOM 0 H ASN A 493 17.606 27.418 25.001 1.00 0.00 H new ATOM 0 HA ASN A 493 19.892 28.483 26.399 1.00 0.00 H new ATOM 0 HB2 ASN A 493 18.779 25.675 25.963 1.00 0.00 H new ATOM 0 HB3 ASN A 493 20.054 26.077 27.095 1.00 0.00 H new ATOM 0 HD21 ASN A 493 16.243 26.436 28.329 1.00 0.00 H new ATOM 0 HD22 ASN A 493 16.771 25.492 26.932 1.00 0.00 H new ATOM 319 N SER A 494 21.910 27.089 25.347 1.00 0.00 N ATOM 320 CA SER A 494 23.192 26.960 24.621 1.00 0.00 C ATOM 321 C SER A 494 23.164 26.021 23.392 1.00 0.00 C ATOM 322 O SER A 494 23.946 26.203 22.452 1.00 0.00 O ATOM 323 CB SER A 494 24.273 26.504 25.614 1.00 0.00 C ATOM 324 OG SER A 494 25.580 26.571 25.064 1.00 0.00 O ATOM 0 H SER A 494 22.000 26.892 26.344 1.00 0.00 H new ATOM 0 HA SER A 494 23.411 27.945 24.208 1.00 0.00 H new ATOM 0 HB2 SER A 494 24.226 27.126 26.508 1.00 0.00 H new ATOM 0 HB3 SER A 494 24.066 25.481 25.927 1.00 0.00 H new ATOM 0 HG SER A 494 26.232 26.273 25.732 1.00 0.00 H new ATOM 330 N SER A 495 22.242 25.048 23.362 1.00 0.00 N ATOM 331 CA SER A 495 22.086 24.043 22.292 1.00 0.00 C ATOM 332 C SER A 495 20.615 23.702 21.964 1.00 0.00 C ATOM 333 O SER A 495 20.325 22.666 21.363 1.00 0.00 O ATOM 334 CB SER A 495 22.897 22.790 22.665 1.00 0.00 C ATOM 335 OG SER A 495 22.490 22.266 23.923 1.00 0.00 O ATOM 0 H SER A 495 21.557 24.932 24.109 1.00 0.00 H new ATOM 0 HA SER A 495 22.476 24.476 21.370 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.771 22.030 21.894 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.958 23.038 22.698 1.00 0.00 H new ATOM 0 HG SER A 495 23.021 21.470 24.133 1.00 0.00 H new ATOM 341 N GLU A 496 19.669 24.575 22.322 1.00 0.00 N ATOM 342 CA GLU A 496 18.221 24.373 22.116 1.00 0.00 C ATOM 343 C GLU A 496 17.624 25.460 21.202 1.00 0.00 C ATOM 344 O GLU A 496 18.136 26.581 21.133 1.00 0.00 O ATOM 345 CB GLU A 496 17.501 24.353 23.479 1.00 0.00 C ATOM 346 CG GLU A 496 17.894 23.164 24.365 1.00 0.00 C ATOM 347 CD GLU A 496 17.274 23.219 25.779 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.264 23.923 26.001 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.842 22.583 26.701 1.00 0.00 O ATOM 0 H GLU A 496 19.887 25.463 22.773 1.00 0.00 H new ATOM 0 HA GLU A 496 18.075 23.414 21.618 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.721 25.279 24.010 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.424 24.330 23.311 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.585 22.240 23.877 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.980 23.130 24.454 1.00 0.00 H new ATOM 356 N LEU A 497 16.526 25.133 20.502 1.00 0.00 N ATOM 357 CA LEU A 497 15.855 26.029 19.551 1.00 0.00 C ATOM 358 C LEU A 497 14.321 25.848 19.572 1.00 0.00 C ATOM 359 O LEU A 497 13.821 24.721 19.587 1.00 0.00 O ATOM 360 CB LEU A 497 16.424 25.742 18.152 1.00 0.00 C ATOM 361 CG LEU A 497 16.055 26.834 17.129 1.00 0.00 C ATOM 362 CD1 LEU A 497 17.300 27.560 16.611 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.292 26.222 15.959 1.00 0.00 C ATOM 0 H LEU A 497 16.073 24.223 20.584 1.00 0.00 H new ATOM 0 HA LEU A 497 16.043 27.065 19.833 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.509 25.659 18.215 1.00 0.00 H new ATOM 0 HB3 LEU A 497 16.051 24.780 17.802 1.00 0.00 H new ATOM 0 HG LEU A 497 15.422 27.563 17.635 1.00 0.00 H new ATOM 0 HD11 LEU A 497 17.003 28.323 15.892 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.820 28.030 17.445 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.964 26.844 16.127 1.00 0.00 H new ATOM 0 HD21 LEU A 497 15.037 27.003 15.243 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.914 25.472 15.471 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.379 25.753 16.326 1.00 0.00 H new ATOM 375 N SER A 498 13.573 26.958 19.582 1.00 0.00 N ATOM 376 CA SER A 498 12.102 26.980 19.674 1.00 0.00 C ATOM 377 C SER A 498 11.379 26.427 18.432 1.00 0.00 C ATOM 378 O SER A 498 11.898 26.477 17.314 1.00 0.00 O ATOM 379 CB SER A 498 11.613 28.407 19.975 1.00 0.00 C ATOM 380 OG SER A 498 12.050 29.354 19.012 1.00 0.00 O ATOM 0 H SER A 498 13.981 27.891 19.525 1.00 0.00 H new ATOM 0 HA SER A 498 11.846 26.307 20.492 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.524 28.412 20.014 1.00 0.00 H new ATOM 0 HB3 SER A 498 11.969 28.708 20.961 1.00 0.00 H new ATOM 0 HG SER A 498 11.711 30.242 19.249 1.00 0.00 H new ATOM 386 N VAL A 499 10.135 25.966 18.626 1.00 0.00 N ATOM 387 CA VAL A 499 9.227 25.449 17.572 1.00 0.00 C ATOM 388 C VAL A 499 7.752 25.793 17.847 1.00 0.00 C ATOM 389 O VAL A 499 7.389 26.177 18.961 1.00 0.00 O ATOM 390 CB VAL A 499 9.359 23.920 17.377 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.698 23.514 16.750 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.168 23.117 18.671 1.00 0.00 C ATOM 0 H VAL A 499 9.710 25.939 19.553 1.00 0.00 H new ATOM 0 HA VAL A 499 9.541 25.949 16.656 1.00 0.00 H new ATOM 0 HB VAL A 499 8.547 23.675 16.692 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.733 22.430 16.637 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.799 23.984 15.772 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.515 23.839 17.395 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.274 22.053 18.458 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.920 23.418 19.400 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.174 23.309 19.075 1.00 0.00 H new ATOM 402 N LYS A 500 6.890 25.634 16.826 1.00 0.00 N ATOM 403 CA LYS A 500 5.461 26.012 16.844 1.00 0.00 C ATOM 404 C LYS A 500 4.586 24.883 16.290 1.00 0.00 C ATOM 405 O LYS A 500 4.996 24.204 15.353 1.00 0.00 O ATOM 406 CB LYS A 500 5.217 27.284 16.000 1.00 0.00 C ATOM 407 CG LYS A 500 6.266 28.407 16.120 1.00 0.00 C ATOM 408 CD LYS A 500 7.309 28.360 14.989 1.00 0.00 C ATOM 409 CE LYS A 500 8.219 29.592 15.026 1.00 0.00 C ATOM 410 NZ LYS A 500 9.259 29.526 13.963 1.00 0.00 N ATOM 0 H LYS A 500 7.176 25.226 15.936 1.00 0.00 H new ATOM 0 HA LYS A 500 5.193 26.204 17.883 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.152 26.990 14.952 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.246 27.695 16.277 1.00 0.00 H new ATOM 0 HG2 LYS A 500 5.762 29.374 16.106 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.773 28.326 17.081 1.00 0.00 H new ATOM 0 HD2 LYS A 500 7.911 27.456 15.083 1.00 0.00 H new ATOM 0 HD3 LYS A 500 6.803 28.307 14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 500 7.620 30.494 14.897 1.00 0.00 H new ATOM 0 HE3 LYS A 500 8.698 29.664 16.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 9.860 30.373 14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 9.844 28.678 14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 8.800 29.481 13.031 1.00 0.00 H new ATOM 424 N GLN A 501 3.360 24.729 16.796 1.00 0.00 N ATOM 425 CA GLN A 501 2.395 23.685 16.404 1.00 0.00 C ATOM 426 C GLN A 501 2.065 23.669 14.895 1.00 0.00 C ATOM 427 O GLN A 501 1.710 22.625 14.348 1.00 0.00 O ATOM 428 CB GLN A 501 1.121 23.843 17.259 1.00 0.00 C ATOM 429 CG GLN A 501 0.016 22.826 16.909 1.00 0.00 C ATOM 430 CD GLN A 501 -1.184 22.835 17.858 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.338 23.676 18.738 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.107 21.908 17.696 1.00 0.00 N ATOM 0 H GLN A 501 2.993 25.349 17.518 1.00 0.00 H new ATOM 0 HA GLN A 501 2.861 22.718 16.593 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.383 23.735 18.311 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.729 24.852 17.130 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.336 23.027 15.897 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.450 21.826 16.903 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -1.997 21.200 16.970 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -2.931 21.899 18.297 1.00 0.00 H new ATOM 441 N ARG A 502 2.205 24.810 14.202 1.00 0.00 N ATOM 442 CA ARG A 502 1.882 24.962 12.770 1.00 0.00 C ATOM 443 C ARG A 502 3.121 25.197 11.898 1.00 0.00 C ATOM 444 O ARG A 502 3.039 25.798 10.828 1.00 0.00 O ATOM 445 CB ARG A 502 0.781 26.025 12.591 1.00 0.00 C ATOM 446 CG ARG A 502 -0.488 25.685 13.398 1.00 0.00 C ATOM 447 CD ARG A 502 -1.696 26.516 12.952 1.00 0.00 C ATOM 448 NE ARG A 502 -2.170 26.104 11.615 1.00 0.00 N ATOM 449 CZ ARG A 502 -3.033 26.742 10.845 1.00 0.00 C ATOM 450 NH1 ARG A 502 -3.598 27.860 11.208 1.00 0.00 N ATOM 451 NH2 ARG A 502 -3.348 26.260 9.675 1.00 0.00 N ATOM 0 H ARG A 502 2.552 25.670 14.627 1.00 0.00 H new ATOM 0 HA ARG A 502 1.483 24.016 12.405 1.00 0.00 H new ATOM 0 HB2 ARG A 502 1.161 26.997 12.906 1.00 0.00 H new ATOM 0 HB3 ARG A 502 0.527 26.109 11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.716 24.625 13.284 1.00 0.00 H new ATOM 0 HG3 ARG A 502 -0.300 25.859 14.458 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -2.503 26.405 13.676 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -1.427 27.572 12.935 1.00 0.00 H new ATOM 0 HE ARG A 502 -1.790 25.232 11.246 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -3.378 28.272 12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -4.260 28.323 10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -2.928 25.388 9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -4.015 26.755 9.082 1.00 0.00 H new ATOM 465 N ASP A 503 4.270 24.696 12.354 1.00 0.00 N ATOM 466 CA ASP A 503 5.546 24.714 11.637 1.00 0.00 C ATOM 467 C ASP A 503 6.118 23.282 11.550 1.00 0.00 C ATOM 468 O ASP A 503 6.160 22.548 12.541 1.00 0.00 O ATOM 469 CB ASP A 503 6.485 25.707 12.346 1.00 0.00 C ATOM 470 CG ASP A 503 7.754 26.072 11.554 1.00 0.00 C ATOM 471 OD1 ASP A 503 7.780 25.893 10.308 1.00 0.00 O ATOM 472 OD2 ASP A 503 8.702 26.608 12.169 1.00 0.00 O ATOM 0 H ASP A 503 4.340 24.249 13.268 1.00 0.00 H new ATOM 0 HA ASP A 503 5.421 25.053 10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.931 26.621 12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 503 6.782 25.283 13.306 1.00 0.00 H new ATOM 477 N VAL A 504 6.520 22.870 10.343 1.00 0.00 N ATOM 478 CA VAL A 504 7.062 21.534 10.030 1.00 0.00 C ATOM 479 C VAL A 504 8.582 21.624 9.846 1.00 0.00 C ATOM 480 O VAL A 504 9.080 22.523 9.161 1.00 0.00 O ATOM 481 CB VAL A 504 6.329 20.929 8.808 1.00 0.00 C ATOM 482 CG1 VAL A 504 6.470 21.737 7.511 1.00 0.00 C ATOM 483 CG2 VAL A 504 6.754 19.489 8.515 1.00 0.00 C ATOM 0 H VAL A 504 6.477 23.476 9.524 1.00 0.00 H new ATOM 0 HA VAL A 504 6.883 20.851 10.860 1.00 0.00 H new ATOM 0 HB VAL A 504 5.283 20.959 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.925 21.238 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.062 22.737 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 504 7.523 21.811 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.207 19.117 7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.824 19.460 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.534 18.862 9.379 1.00 0.00 H new ATOM 493 N LEU A 505 9.328 20.716 10.486 1.00 0.00 N ATOM 494 CA LEU A 505 10.793 20.767 10.595 1.00 0.00 C ATOM 495 C LEU A 505 11.454 19.472 10.087 1.00 0.00 C ATOM 496 O LEU A 505 10.810 18.429 9.958 1.00 0.00 O ATOM 497 CB LEU A 505 11.203 21.060 12.059 1.00 0.00 C ATOM 498 CG LEU A 505 11.069 22.503 12.601 1.00 0.00 C ATOM 499 CD1 LEU A 505 11.650 23.541 11.643 1.00 0.00 C ATOM 500 CD2 LEU A 505 9.645 22.918 12.972 1.00 0.00 C ATOM 0 H LEU A 505 8.922 19.906 10.954 1.00 0.00 H new ATOM 0 HA LEU A 505 11.150 21.576 9.957 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.610 20.410 12.703 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.244 20.760 12.175 1.00 0.00 H new ATOM 0 HG LEU A 505 11.651 22.480 13.522 1.00 0.00 H new ATOM 0 HD11 LEU A 505 11.531 24.537 12.070 1.00 0.00 H new ATOM 0 HD12 LEU A 505 12.709 23.338 11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.125 23.490 10.689 1.00 0.00 H new ATOM 0 HD21 LEU A 505 9.649 23.943 13.342 1.00 0.00 H new ATOM 0 HD22 LEU A 505 9.006 22.853 12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 505 9.263 22.254 13.748 1.00 0.00 H new ATOM 512 N GLU A 506 12.757 19.538 9.794 1.00 0.00 N ATOM 513 CA GLU A 506 13.517 18.433 9.203 1.00 0.00 C ATOM 514 C GLU A 506 14.318 17.715 10.292 1.00 0.00 C ATOM 515 O GLU A 506 15.320 18.240 10.780 1.00 0.00 O ATOM 516 CB GLU A 506 14.411 18.967 8.072 1.00 0.00 C ATOM 517 CG GLU A 506 15.219 17.849 7.395 1.00 0.00 C ATOM 518 CD GLU A 506 15.949 18.326 6.123 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.540 19.437 6.117 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.972 17.573 5.120 1.00 0.00 O ATOM 0 H GLU A 506 13.320 20.371 9.963 1.00 0.00 H new ATOM 0 HA GLU A 506 12.839 17.701 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.792 19.468 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.095 19.715 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.950 17.456 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.550 17.028 7.138 1.00 0.00 H new ATOM 527 N VAL A 507 13.849 16.534 10.713 1.00 0.00 N ATOM 528 CA VAL A 507 14.540 15.685 11.702 1.00 0.00 C ATOM 529 C VAL A 507 15.921 15.226 11.200 1.00 0.00 C ATOM 530 O VAL A 507 16.091 14.880 10.027 1.00 0.00 O ATOM 531 CB VAL A 507 13.633 14.514 12.150 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.209 13.566 11.021 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.270 13.710 13.293 1.00 0.00 C ATOM 0 H VAL A 507 12.973 16.134 10.377 1.00 0.00 H new ATOM 0 HA VAL A 507 14.738 16.287 12.589 1.00 0.00 H new ATOM 0 HB VAL A 507 12.722 14.998 12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 507 12.576 12.777 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 507 12.654 14.124 10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.095 13.123 10.566 1.00 0.00 H new ATOM 0 HG21 VAL A 507 13.604 12.896 13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.223 13.299 12.961 1.00 0.00 H new ATOM 0 HG23 VAL A 507 14.435 14.364 14.150 1.00 0.00 H new ATOM 543 N LEU A 508 16.903 15.215 12.106 1.00 0.00 N ATOM 544 CA LEU A 508 18.309 14.867 11.849 1.00 0.00 C ATOM 545 C LEU A 508 18.826 13.741 12.763 1.00 0.00 C ATOM 546 O LEU A 508 19.715 12.985 12.368 1.00 0.00 O ATOM 547 CB LEU A 508 19.194 16.108 12.073 1.00 0.00 C ATOM 548 CG LEU A 508 18.839 17.367 11.265 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.749 18.496 11.746 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.028 17.176 9.760 1.00 0.00 C ATOM 0 H LEU A 508 16.735 15.459 13.082 1.00 0.00 H new ATOM 0 HA LEU A 508 18.360 14.516 10.818 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.160 16.363 13.132 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.224 15.836 11.844 1.00 0.00 H new ATOM 0 HG LEU A 508 17.785 17.594 11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.523 19.407 11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.584 18.668 12.810 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.790 18.220 11.580 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.763 18.097 9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.069 16.929 9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.387 16.366 9.413 1.00 0.00 H new ATOM 562 N ASP A 509 18.253 13.604 13.963 1.00 0.00 N ATOM 563 CA ASP A 509 18.561 12.547 14.933 1.00 0.00 C ATOM 564 C ASP A 509 17.267 11.998 15.552 1.00 0.00 C ATOM 565 O ASP A 509 16.395 12.767 15.961 1.00 0.00 O ATOM 566 CB ASP A 509 19.473 13.089 16.047 1.00 0.00 C ATOM 567 CG ASP A 509 20.951 13.132 15.626 1.00 0.00 C ATOM 568 OD1 ASP A 509 21.582 12.053 15.547 1.00 0.00 O ATOM 569 OD2 ASP A 509 21.498 14.243 15.420 1.00 0.00 O ATOM 0 H ASP A 509 17.537 14.248 14.298 1.00 0.00 H new ATOM 0 HA ASP A 509 19.078 11.743 14.409 1.00 0.00 H new ATOM 0 HB2 ASP A 509 19.148 14.092 16.323 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.369 12.464 16.934 1.00 0.00 H new ATOM 574 N ASP A 510 17.173 10.670 15.646 1.00 0.00 N ATOM 575 CA ASP A 510 15.998 9.932 16.149 1.00 0.00 C ATOM 576 C ASP A 510 16.356 8.780 17.124 1.00 0.00 C ATOM 577 O ASP A 510 15.479 8.031 17.566 1.00 0.00 O ATOM 578 CB ASP A 510 15.147 9.462 14.954 1.00 0.00 C ATOM 579 CG ASP A 510 15.918 8.565 13.968 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.315 7.435 14.338 1.00 0.00 O ATOM 581 OD2 ASP A 510 16.124 8.982 12.800 1.00 0.00 O ATOM 0 H ASP A 510 17.935 10.052 15.366 1.00 0.00 H new ATOM 0 HA ASP A 510 15.406 10.615 16.758 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.280 8.917 15.327 1.00 0.00 H new ATOM 0 HB3 ASP A 510 14.770 10.335 14.421 1.00 0.00 H new ATOM 586 N SER A 511 17.641 8.652 17.489 1.00 0.00 N ATOM 587 CA SER A 511 18.178 7.610 18.388 1.00 0.00 C ATOM 588 C SER A 511 18.052 7.951 19.890 1.00 0.00 C ATOM 589 O SER A 511 18.134 7.059 20.743 1.00 0.00 O ATOM 590 CB SER A 511 19.652 7.382 18.014 1.00 0.00 C ATOM 591 OG SER A 511 20.222 6.268 18.683 1.00 0.00 O ATOM 0 H SER A 511 18.363 9.292 17.157 1.00 0.00 H new ATOM 0 HA SER A 511 17.582 6.708 18.249 1.00 0.00 H new ATOM 0 HB2 SER A 511 19.730 7.233 16.937 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.226 8.277 18.254 1.00 0.00 H new ATOM 0 HG SER A 511 19.740 6.108 19.521 1.00 0.00 H new ATOM 597 N ARG A 512 17.810 9.228 20.225 1.00 0.00 N ATOM 598 CA ARG A 512 17.683 9.768 21.600 1.00 0.00 C ATOM 599 C ARG A 512 16.283 10.327 21.876 1.00 0.00 C ATOM 600 O ARG A 512 15.482 10.504 20.962 1.00 0.00 O ATOM 601 CB ARG A 512 18.785 10.818 21.887 1.00 0.00 C ATOM 602 CG ARG A 512 19.069 11.802 20.738 1.00 0.00 C ATOM 603 CD ARG A 512 19.899 13.016 21.186 1.00 0.00 C ATOM 604 NE ARG A 512 21.212 12.649 21.756 1.00 0.00 N ATOM 605 CZ ARG A 512 22.014 13.445 22.446 1.00 0.00 C ATOM 606 NH1 ARG A 512 21.734 14.702 22.657 1.00 0.00 N ATOM 607 NH2 ARG A 512 23.127 12.989 22.946 1.00 0.00 N ATOM 0 H ARG A 512 17.691 9.951 19.516 1.00 0.00 H new ATOM 0 HA ARG A 512 17.826 8.936 22.289 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.499 11.389 22.770 1.00 0.00 H new ATOM 0 HB3 ARG A 512 19.709 10.294 22.132 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.598 11.280 19.941 1.00 0.00 H new ATOM 0 HG3 ARG A 512 18.124 12.148 20.320 1.00 0.00 H new ATOM 0 HD2 ARG A 512 20.053 13.677 20.333 1.00 0.00 H new ATOM 0 HD3 ARG A 512 19.334 13.580 21.928 1.00 0.00 H new ATOM 0 HE ARG A 512 21.531 11.692 21.603 1.00 0.00 H new ATOM 0 HH11 ARG A 512 20.872 15.102 22.285 1.00 0.00 H new ATOM 0 HH12 ARG A 512 22.377 15.285 23.194 1.00 0.00 H new ATOM 0 HH21 ARG A 512 23.386 12.012 22.807 1.00 0.00 H new ATOM 0 HH22 ARG A 512 23.739 13.609 23.476 1.00 0.00 H new ATOM 621 N LYS A 513 16.010 10.657 23.145 1.00 0.00 N ATOM 622 CA LYS A 513 14.797 11.380 23.584 1.00 0.00 C ATOM 623 C LYS A 513 14.755 12.844 23.113 1.00 0.00 C ATOM 624 O LYS A 513 13.676 13.431 23.042 1.00 0.00 O ATOM 625 CB LYS A 513 14.676 11.314 25.116 1.00 0.00 C ATOM 626 CG LYS A 513 14.402 9.880 25.601 1.00 0.00 C ATOM 627 CD LYS A 513 14.553 9.690 27.117 1.00 0.00 C ATOM 628 CE LYS A 513 13.415 10.253 27.987 1.00 0.00 C ATOM 629 NZ LYS A 513 13.501 11.724 28.208 1.00 0.00 N ATOM 0 H LYS A 513 16.636 10.426 23.916 1.00 0.00 H new ATOM 0 HA LYS A 513 13.948 10.881 23.117 1.00 0.00 H new ATOM 0 HB2 LYS A 513 15.595 11.683 25.570 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.871 11.971 25.447 1.00 0.00 H new ATOM 0 HG2 LYS A 513 13.391 9.597 25.309 1.00 0.00 H new ATOM 0 HG3 LYS A 513 15.083 9.199 25.091 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.646 8.623 27.321 1.00 0.00 H new ATOM 0 HD3 LYS A 513 15.487 10.157 27.430 1.00 0.00 H new ATOM 0 HE2 LYS A 513 12.460 10.021 27.515 1.00 0.00 H new ATOM 0 HE3 LYS A 513 13.424 9.748 28.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 13.038 11.968 29.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 14.500 12.012 28.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 13.025 12.221 27.428 1.00 0.00 H new ATOM 643 N TRP A 514 15.910 13.421 22.763 1.00 0.00 N ATOM 644 CA TRP A 514 16.038 14.807 22.294 1.00 0.00 C ATOM 645 C TRP A 514 16.359 14.824 20.799 1.00 0.00 C ATOM 646 O TRP A 514 17.522 14.801 20.398 1.00 0.00 O ATOM 647 CB TRP A 514 17.078 15.563 23.132 1.00 0.00 C ATOM 648 CG TRP A 514 16.652 15.885 24.532 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.759 15.067 25.607 1.00 0.00 C ATOM 650 CD2 TRP A 514 16.044 17.116 25.030 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.249 15.701 26.724 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.789 16.967 26.426 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.688 18.351 24.440 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.201 17.981 27.195 1.00 0.00 C ATOM 655 CZ3 TRP A 514 15.102 19.380 25.203 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.855 19.197 26.577 1.00 0.00 C ATOM 0 H TRP A 514 16.802 12.927 22.798 1.00 0.00 H new ATOM 0 HA TRP A 514 15.090 15.328 22.427 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.990 14.968 23.174 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.327 16.493 22.621 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.179 14.072 25.593 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.217 15.284 27.654 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.868 18.508 23.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 15.016 17.831 28.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.840 20.315 24.731 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.401 19.988 27.155 1.00 0.00 H new ATOM 667 N TRP A 515 15.322 14.791 19.962 1.00 0.00 N ATOM 668 CA TRP A 515 15.471 14.836 18.507 1.00 0.00 C ATOM 669 C TRP A 515 16.044 16.185 18.065 1.00 0.00 C ATOM 670 O TRP A 515 15.585 17.254 18.480 1.00 0.00 O ATOM 671 CB TRP A 515 14.128 14.543 17.812 1.00 0.00 C ATOM 672 CG TRP A 515 13.649 13.115 17.862 1.00 0.00 C ATOM 673 CD1 TRP A 515 14.083 12.171 18.730 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.679 12.429 17.006 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.446 10.972 18.495 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.577 11.065 17.432 1.00 0.00 C ATOM 677 CE3 TRP A 515 11.872 12.808 15.907 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.737 10.133 16.812 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.019 11.876 15.280 1.00 0.00 C ATOM 680 CH2 TRP A 515 10.947 10.546 15.727 1.00 0.00 C ATOM 0 H TRP A 515 14.353 14.732 20.274 1.00 0.00 H new ATOM 0 HA TRP A 515 16.176 14.060 18.208 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.364 15.176 18.263 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.212 14.840 16.766 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.824 12.335 19.498 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.599 10.123 19.040 1.00 0.00 H new ATOM 0 HE3 TRP A 515 11.910 13.824 15.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.697 9.112 17.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.412 12.190 14.444 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.287 9.844 15.238 1.00 0.00 H new ATOM 691 N LYS A 516 17.071 16.125 17.212 1.00 0.00 N ATOM 692 CA LYS A 516 17.669 17.301 16.573 1.00 0.00 C ATOM 693 C LYS A 516 16.908 17.609 15.283 1.00 0.00 C ATOM 694 O LYS A 516 16.590 16.689 14.528 1.00 0.00 O ATOM 695 CB LYS A 516 19.158 17.024 16.310 1.00 0.00 C ATOM 696 CG LYS A 516 19.949 18.326 16.109 1.00 0.00 C ATOM 697 CD LYS A 516 21.453 18.082 15.931 1.00 0.00 C ATOM 698 CE LYS A 516 21.770 17.388 14.600 1.00 0.00 C ATOM 699 NZ LYS A 516 23.212 17.039 14.494 1.00 0.00 N ATOM 0 H LYS A 516 17.516 15.248 16.943 1.00 0.00 H new ATOM 0 HA LYS A 516 17.598 18.175 17.221 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.579 16.468 17.148 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.261 16.395 15.426 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.564 18.849 15.234 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.790 18.979 16.967 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.983 19.034 15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.821 17.471 16.755 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.169 16.484 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.491 18.041 13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.390 16.572 13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 23.784 17.905 14.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.471 16.396 15.269 1.00 0.00 H new ATOM 713 N VAL A 517 16.653 18.888 15.012 1.00 0.00 N ATOM 714 CA VAL A 517 15.965 19.351 13.794 1.00 0.00 C ATOM 715 C VAL A 517 16.693 20.542 13.166 1.00 0.00 C ATOM 716 O VAL A 517 17.332 21.330 13.868 1.00 0.00 O ATOM 717 CB VAL A 517 14.482 19.702 14.052 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.668 18.526 14.607 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.263 20.899 14.990 1.00 0.00 C ATOM 0 H VAL A 517 16.920 19.648 15.638 1.00 0.00 H new ATOM 0 HA VAL A 517 15.985 18.518 13.091 1.00 0.00 H new ATOM 0 HB VAL A 517 14.128 19.967 13.056 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.636 18.840 14.765 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.691 17.700 13.896 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.098 18.201 15.555 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.194 21.073 15.114 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.711 20.687 15.961 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.728 21.787 14.562 1.00 0.00 H new ATOM 729 N ARG A 518 16.569 20.689 11.839 1.00 0.00 N ATOM 730 CA ARG A 518 17.056 21.850 11.080 1.00 0.00 C ATOM 731 C ARG A 518 15.897 22.818 10.813 1.00 0.00 C ATOM 732 O ARG A 518 14.938 22.483 10.115 1.00 0.00 O ATOM 733 CB ARG A 518 17.681 21.396 9.746 1.00 0.00 C ATOM 734 CG ARG A 518 18.648 22.458 9.194 1.00 0.00 C ATOM 735 CD ARG A 518 19.036 22.204 7.733 1.00 0.00 C ATOM 736 NE ARG A 518 19.723 20.910 7.535 1.00 0.00 N ATOM 737 CZ ARG A 518 20.087 20.392 6.373 1.00 0.00 C ATOM 738 NH1 ARG A 518 19.932 21.033 5.246 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.637 19.211 6.317 1.00 0.00 N ATOM 0 H ARG A 518 16.117 19.989 11.251 1.00 0.00 H new ATOM 0 HA ARG A 518 17.821 22.358 11.667 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.214 20.456 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.892 21.205 9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 518 18.186 23.442 9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 518 19.549 22.476 9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 518 18.139 22.231 7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.685 23.010 7.390 1.00 0.00 H new ATOM 0 HE ARG A 518 19.936 20.366 8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 518 19.518 21.965 5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 518 20.225 20.601 4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 518 20.790 18.678 7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 518 20.914 18.820 5.417 1.00 0.00 H new ATOM 753 N ASP A 519 15.982 24.013 11.382 1.00 0.00 N ATOM 754 CA ASP A 519 15.112 25.155 11.065 1.00 0.00 C ATOM 755 C ASP A 519 15.414 25.784 9.680 1.00 0.00 C ATOM 756 O ASP A 519 16.534 25.655 9.168 1.00 0.00 O ATOM 757 CB ASP A 519 15.239 26.198 12.182 1.00 0.00 C ATOM 758 CG ASP A 519 16.699 26.592 12.427 1.00 0.00 C ATOM 759 OD1 ASP A 519 17.217 27.470 11.710 1.00 0.00 O ATOM 760 OD2 ASP A 519 17.311 25.987 13.345 1.00 0.00 O ATOM 0 H ASP A 519 16.676 24.228 12.098 1.00 0.00 H new ATOM 0 HA ASP A 519 14.087 24.791 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 519 14.662 27.085 11.919 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.810 25.800 13.102 1.00 0.00 H new ATOM 765 N PRO A 520 14.450 26.502 9.066 1.00 0.00 N ATOM 766 CA PRO A 520 14.625 27.133 7.751 1.00 0.00 C ATOM 767 C PRO A 520 15.586 28.339 7.731 1.00 0.00 C ATOM 768 O PRO A 520 15.977 28.787 6.648 1.00 0.00 O ATOM 769 CB PRO A 520 13.213 27.526 7.300 1.00 0.00 C ATOM 770 CG PRO A 520 12.458 27.730 8.612 1.00 0.00 C ATOM 771 CD PRO A 520 13.069 26.660 9.512 1.00 0.00 C ATOM 0 HA PRO A 520 15.106 26.430 7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 520 13.223 28.435 6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 520 12.755 26.746 6.692 1.00 0.00 H new ATOM 0 HG2 PRO A 520 12.606 28.732 9.014 1.00 0.00 H new ATOM 0 HG3 PRO A 520 11.384 27.592 8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 520 13.029 26.961 10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 520 12.522 25.721 9.429 1.00 0.00 H new ATOM 779 N ALA A 521 16.004 28.858 8.895 1.00 0.00 N ATOM 780 CA ALA A 521 17.083 29.851 9.013 1.00 0.00 C ATOM 781 C ALA A 521 18.484 29.243 8.776 1.00 0.00 C ATOM 782 O ALA A 521 19.441 29.985 8.522 1.00 0.00 O ATOM 783 CB ALA A 521 17.006 30.540 10.388 1.00 0.00 C ATOM 0 H ALA A 521 15.597 28.597 9.793 1.00 0.00 H new ATOM 0 HA ALA A 521 16.936 30.591 8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 521 17.807 31.275 10.472 1.00 0.00 H new ATOM 0 HB2 ALA A 521 16.043 31.039 10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 521 17.114 29.794 11.175 1.00 0.00 H new ATOM 789 N GLY A 522 18.618 27.912 8.845 1.00 0.00 N ATOM 790 CA GLY A 522 19.864 27.184 8.589 1.00 0.00 C ATOM 791 C GLY A 522 20.648 26.821 9.855 1.00 0.00 C ATOM 792 O GLY A 522 21.793 26.373 9.753 1.00 0.00 O ATOM 0 H GLY A 522 17.841 27.297 9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 522 19.632 26.269 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 522 20.499 27.789 7.942 1.00 0.00 H new ATOM 796 N GLN A 523 20.063 27.027 11.039 1.00 0.00 N ATOM 797 CA GLN A 523 20.634 26.614 12.323 1.00 0.00 C ATOM 798 C GLN A 523 20.186 25.173 12.678 1.00 0.00 C ATOM 799 O GLN A 523 19.552 24.478 11.875 1.00 0.00 O ATOM 800 CB GLN A 523 20.270 27.642 13.421 1.00 0.00 C ATOM 801 CG GLN A 523 20.485 29.115 13.016 1.00 0.00 C ATOM 802 CD GLN A 523 20.339 30.098 14.183 1.00 0.00 C ATOM 803 OE1 GLN A 523 20.486 29.775 15.357 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.043 31.352 13.907 1.00 0.00 N ATOM 0 H GLN A 523 19.161 27.495 11.133 1.00 0.00 H new ATOM 0 HA GLN A 523 21.721 26.594 12.249 1.00 0.00 H new ATOM 0 HB2 GLN A 523 19.225 27.504 13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.866 27.432 14.309 1.00 0.00 H new ATOM 0 HG2 GLN A 523 21.479 29.223 12.583 1.00 0.00 H new ATOM 0 HG3 GLN A 523 19.768 29.378 12.238 1.00 0.00 H new ATOM 0 HE21 GLN A 523 19.916 31.645 12.938 1.00 0.00 H new ATOM 0 HE22 GLN A 523 19.941 32.030 14.662 1.00 0.00 H new ATOM 813 N GLU A 524 20.542 24.706 13.877 1.00 0.00 N ATOM 814 CA GLU A 524 20.100 23.424 14.446 1.00 0.00 C ATOM 815 C GLU A 524 19.844 23.572 15.956 1.00 0.00 C ATOM 816 O GLU A 524 20.492 24.376 16.636 1.00 0.00 O ATOM 817 CB GLU A 524 21.173 22.335 14.235 1.00 0.00 C ATOM 818 CG GLU A 524 21.282 21.808 12.795 1.00 0.00 C ATOM 819 CD GLU A 524 22.506 20.890 12.581 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.956 20.194 13.519 1.00 0.00 O ATOM 821 OE2 GLU A 524 23.040 20.862 11.440 1.00 0.00 O ATOM 0 H GLU A 524 21.164 25.222 14.499 1.00 0.00 H new ATOM 0 HA GLU A 524 19.180 23.133 13.938 1.00 0.00 H new ATOM 0 HB2 GLU A 524 22.141 22.736 14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.956 21.498 14.898 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.374 21.259 12.545 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.343 22.652 12.108 1.00 0.00 H new ATOM 828 N GLY A 525 18.940 22.749 16.498 1.00 0.00 N ATOM 829 CA GLY A 525 18.726 22.642 17.945 1.00 0.00 C ATOM 830 C GLY A 525 17.975 21.375 18.366 1.00 0.00 C ATOM 831 O GLY A 525 17.362 20.689 17.545 1.00 0.00 O ATOM 0 H GLY A 525 18.337 22.139 15.946 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.692 22.665 18.449 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.168 23.514 18.286 1.00 0.00 H new ATOM 835 N TYR A 526 18.045 21.077 19.666 1.00 0.00 N ATOM 836 CA TYR A 526 17.450 19.895 20.292 1.00 0.00 C ATOM 837 C TYR A 526 16.093 20.213 20.946 1.00 0.00 C ATOM 838 O TYR A 526 15.938 21.245 21.607 1.00 0.00 O ATOM 839 CB TYR A 526 18.423 19.364 21.358 1.00 0.00 C ATOM 840 CG TYR A 526 19.682 18.697 20.821 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.582 17.444 20.188 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.950 19.286 20.998 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.731 16.788 19.710 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.110 18.631 20.528 1.00 0.00 C ATOM 845 CZ TYR A 526 22.000 17.389 19.858 1.00 0.00 C ATOM 846 OH TYR A 526 23.107 16.793 19.334 1.00 0.00 O ATOM 0 H TYR A 526 18.534 21.673 20.334 1.00 0.00 H new ATOM 0 HA TYR A 526 17.273 19.147 19.519 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.718 20.193 22.001 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.892 18.648 21.985 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.613 16.981 20.068 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.035 20.241 21.495 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.642 15.825 19.230 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.081 19.078 20.680 1.00 0.00 H new ATOM 0 HH TYR A 526 23.896 17.342 19.527 1.00 0.00 H new ATOM 856 N VAL A 527 15.131 19.290 20.809 1.00 0.00 N ATOM 857 CA VAL A 527 13.773 19.336 21.400 1.00 0.00 C ATOM 858 C VAL A 527 13.273 17.915 21.731 1.00 0.00 C ATOM 859 O VAL A 527 13.716 16.958 21.091 1.00 0.00 O ATOM 860 CB VAL A 527 12.756 20.016 20.451 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.938 21.534 20.405 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.786 19.486 19.009 1.00 0.00 C ATOM 0 H VAL A 527 15.280 18.446 20.256 1.00 0.00 H new ATOM 0 HA VAL A 527 13.847 19.925 22.314 1.00 0.00 H new ATOM 0 HB VAL A 527 11.788 19.762 20.884 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.203 21.968 19.727 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.799 21.948 21.404 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.942 21.770 20.051 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.044 20.015 18.411 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.776 19.646 18.583 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.559 18.420 19.008 1.00 0.00 H new ATOM 872 N PRO A 528 12.354 17.727 22.701 1.00 0.00 N ATOM 873 CA PRO A 528 11.799 16.403 22.993 1.00 0.00 C ATOM 874 C PRO A 528 10.945 15.865 21.830 1.00 0.00 C ATOM 875 O PRO A 528 10.190 16.611 21.204 1.00 0.00 O ATOM 876 CB PRO A 528 10.984 16.572 24.281 1.00 0.00 C ATOM 877 CG PRO A 528 10.638 18.063 24.322 1.00 0.00 C ATOM 878 CD PRO A 528 11.808 18.731 23.603 1.00 0.00 C ATOM 0 HA PRO A 528 12.588 15.662 23.121 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.085 15.956 24.266 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.560 16.274 25.157 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.692 18.268 23.821 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.541 18.423 25.346 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.476 19.611 23.052 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.562 19.067 24.315 1.00 0.00 H new ATOM 886 N TYR A 529 11.008 14.556 21.560 1.00 0.00 N ATOM 887 CA TYR A 529 10.168 13.920 20.526 1.00 0.00 C ATOM 888 C TYR A 529 8.671 13.874 20.891 1.00 0.00 C ATOM 889 O TYR A 529 7.823 13.776 20.004 1.00 0.00 O ATOM 890 CB TYR A 529 10.685 12.512 20.195 1.00 0.00 C ATOM 891 CG TYR A 529 10.286 11.417 21.170 1.00 0.00 C ATOM 892 CD1 TYR A 529 11.086 11.158 22.297 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.118 10.657 20.952 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.727 10.148 23.208 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.752 9.645 21.861 1.00 0.00 C ATOM 896 CZ TYR A 529 9.558 9.387 22.993 1.00 0.00 C ATOM 897 OH TYR A 529 9.218 8.408 23.874 1.00 0.00 O ATOM 0 H TYR A 529 11.633 13.910 22.043 1.00 0.00 H new ATOM 0 HA TYR A 529 10.248 14.552 19.642 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.327 12.238 19.203 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.773 12.548 20.143 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.982 11.738 22.464 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.503 10.851 20.086 1.00 0.00 H new ATOM 0 HE1 TYR A 529 11.346 9.955 24.072 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.856 9.066 21.693 1.00 0.00 H new ATOM 0 HH TYR A 529 8.386 7.980 23.582 1.00 0.00 H new ATOM 907 N ASN A 530 8.332 13.971 22.184 1.00 0.00 N ATOM 908 CA ASN A 530 6.963 13.879 22.707 1.00 0.00 C ATOM 909 C ASN A 530 5.993 14.947 22.146 1.00 0.00 C ATOM 910 O ASN A 530 4.782 14.718 22.096 1.00 0.00 O ATOM 911 CB ASN A 530 7.056 13.938 24.244 1.00 0.00 C ATOM 912 CG ASN A 530 5.721 13.689 24.930 1.00 0.00 C ATOM 913 OD1 ASN A 530 5.034 14.607 25.358 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.318 12.445 25.067 1.00 0.00 N ATOM 0 H ASN A 530 9.025 14.120 22.917 1.00 0.00 H new ATOM 0 HA ASN A 530 6.527 12.937 22.375 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.778 13.198 24.588 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.435 14.915 24.542 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.432 12.244 25.530 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.892 11.681 24.710 1.00 0.00 H new ATOM 921 N ILE A 531 6.524 16.088 21.683 1.00 0.00 N ATOM 922 CA ILE A 531 5.765 17.204 21.080 1.00 0.00 C ATOM 923 C ILE A 531 5.816 17.219 19.540 1.00 0.00 C ATOM 924 O ILE A 531 5.302 18.148 18.920 1.00 0.00 O ATOM 925 CB ILE A 531 6.222 18.560 21.669 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.719 18.812 21.386 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.898 18.616 23.173 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.190 20.232 21.700 1.00 0.00 C ATOM 0 H ILE A 531 7.527 16.270 21.717 1.00 0.00 H new ATOM 0 HA ILE A 531 4.720 17.041 21.342 1.00 0.00 H new ATOM 0 HB ILE A 531 5.672 19.363 21.179 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.311 18.108 21.971 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.919 18.600 20.336 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.223 19.574 23.580 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.823 18.506 23.318 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.418 17.808 23.688 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.252 20.322 21.472 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.628 20.944 21.095 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.026 20.444 22.756 1.00 0.00 H new ATOM 940 N LEU A 532 6.412 16.197 18.915 1.00 0.00 N ATOM 941 CA LEU A 532 6.534 16.034 17.463 1.00 0.00 C ATOM 942 C LEU A 532 5.712 14.822 16.988 1.00 0.00 C ATOM 943 O LEU A 532 5.540 13.842 17.717 1.00 0.00 O ATOM 944 CB LEU A 532 8.022 15.843 17.089 1.00 0.00 C ATOM 945 CG LEU A 532 8.968 16.999 17.477 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.415 16.640 17.139 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.607 18.290 16.743 1.00 0.00 C ATOM 0 H LEU A 532 6.841 15.428 19.430 1.00 0.00 H new ATOM 0 HA LEU A 532 6.148 16.927 16.972 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.382 14.930 17.564 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.089 15.690 16.012 1.00 0.00 H new ATOM 0 HG LEU A 532 8.858 17.156 18.550 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.070 17.466 17.419 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.706 15.744 17.688 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.503 16.454 16.069 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.294 19.082 17.041 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.682 18.130 15.667 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.587 18.580 16.997 1.00 0.00 H new ATOM 959 N THR A 533 5.236 14.876 15.746 1.00 0.00 N ATOM 960 CA THR A 533 4.458 13.810 15.089 1.00 0.00 C ATOM 961 C THR A 533 4.917 13.599 13.638 1.00 0.00 C ATOM 962 O THR A 533 5.561 14.481 13.053 1.00 0.00 O ATOM 963 CB THR A 533 2.937 14.104 15.138 1.00 0.00 C ATOM 964 OG1 THR A 533 2.624 15.453 14.853 1.00 0.00 O ATOM 965 CG2 THR A 533 2.335 13.784 16.508 1.00 0.00 C ATOM 0 H THR A 533 5.382 15.686 15.144 1.00 0.00 H new ATOM 0 HA THR A 533 4.642 12.890 15.643 1.00 0.00 H new ATOM 0 HB THR A 533 2.511 13.459 14.369 1.00 0.00 H new ATOM 0 HG1 THR A 533 1.653 15.580 14.897 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.268 14.005 16.497 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.485 12.728 16.734 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.823 14.391 17.271 1.00 0.00 H new ATOM 973 N PRO A 534 4.629 12.431 13.026 1.00 0.00 N ATOM 974 CA PRO A 534 4.945 12.196 11.618 1.00 0.00 C ATOM 975 C PRO A 534 4.142 13.127 10.695 1.00 0.00 C ATOM 976 O PRO A 534 3.122 13.704 11.084 1.00 0.00 O ATOM 977 CB PRO A 534 4.627 10.717 11.368 1.00 0.00 C ATOM 978 CG PRO A 534 3.552 10.402 12.407 1.00 0.00 C ATOM 979 CD PRO A 534 3.974 11.258 13.598 1.00 0.00 C ATOM 0 HA PRO A 534 5.990 12.415 11.398 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.265 10.550 10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.508 10.089 11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.556 10.666 12.052 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.530 9.342 12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.112 11.545 14.200 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.652 10.711 14.253 1.00 0.00 H new ATOM 987 N TYR A 535 4.579 13.213 9.437 1.00 0.00 N ATOM 988 CA TYR A 535 3.932 13.990 8.375 1.00 0.00 C ATOM 989 C TYR A 535 3.526 13.054 7.209 1.00 0.00 C ATOM 990 O TYR A 535 4.227 12.994 6.194 1.00 0.00 O ATOM 991 CB TYR A 535 4.853 15.163 7.985 1.00 0.00 C ATOM 992 CG TYR A 535 4.211 16.237 7.120 1.00 0.00 C ATOM 993 CD1 TYR A 535 3.056 16.909 7.571 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.801 16.606 5.894 1.00 0.00 C ATOM 995 CE1 TYR A 535 2.487 17.942 6.799 1.00 0.00 C ATOM 996 CE2 TYR A 535 4.237 17.639 5.121 1.00 0.00 C ATOM 997 CZ TYR A 535 3.080 18.309 5.569 1.00 0.00 C ATOM 998 OH TYR A 535 2.538 19.307 4.818 1.00 0.00 O ATOM 0 H TYR A 535 5.419 12.729 9.118 1.00 0.00 H new ATOM 0 HA TYR A 535 2.998 14.439 8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.225 15.629 8.897 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.718 14.763 7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 535 2.605 16.631 8.512 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.687 16.095 5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 535 1.600 18.452 7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.692 17.919 4.182 1.00 0.00 H new ATOM 0 HH TYR A 535 3.071 19.431 4.005 1.00 0.00 H new ATOM 1008 N PRO A 536 2.445 12.247 7.370 1.00 0.00 N ATOM 1009 CA PRO A 536 2.000 11.206 6.426 1.00 0.00 C ATOM 1010 C PRO A 536 1.339 11.775 5.146 1.00 0.00 C ATOM 1011 O PRO A 536 0.182 11.480 4.828 1.00 0.00 O ATOM 1012 CB PRO A 536 1.078 10.294 7.254 1.00 0.00 C ATOM 1013 CG PRO A 536 0.448 11.255 8.257 1.00 0.00 C ATOM 1014 CD PRO A 536 1.604 12.201 8.567 1.00 0.00 C ATOM 0 HA PRO A 536 2.842 10.647 6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 536 0.325 9.811 6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 536 1.637 9.501 7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 536 -0.407 11.782 7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 536 0.094 10.738 9.149 1.00 0.00 H new ATOM 0 HD2 PRO A 536 1.234 13.195 8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 536 2.174 11.847 9.426 1.00 0.00 H new ATOM 1022 N ALA A 537 2.064 12.627 4.422 1.00 0.00 N ATOM 1023 CA ALA A 537 1.590 13.322 3.223 1.00 0.00 C ATOM 1024 C ALA A 537 1.609 12.464 1.938 1.00 0.00 C ATOM 1025 O ALA A 537 0.812 12.716 1.033 1.00 0.00 O ATOM 1026 CB ALA A 537 2.457 14.576 3.051 1.00 0.00 C ATOM 0 H ALA A 537 3.028 12.861 4.660 1.00 0.00 H new ATOM 0 HA ALA A 537 0.539 13.570 3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 537 2.134 15.123 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 537 2.353 15.213 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 537 3.501 14.284 2.936 1.00 0.00 H new ATOM 1032 N ALA A 538 2.500 11.462 1.846 1.00 0.00 N ATOM 1033 CA ALA A 538 2.703 10.576 0.684 1.00 0.00 C ATOM 1034 C ALA A 538 2.689 11.285 -0.699 1.00 0.00 C ATOM 1035 O ALA A 538 2.101 10.788 -1.666 1.00 0.00 O ATOM 1036 CB ALA A 538 1.723 9.395 0.796 1.00 0.00 C ATOM 0 H ALA A 538 3.129 11.236 2.616 1.00 0.00 H new ATOM 0 HA ALA A 538 3.725 10.199 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 538 1.858 8.728 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 538 1.916 8.849 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 538 0.700 9.771 0.804 1.00 0.00 H new ATOM 1042 N ALA A 539 3.324 12.464 -0.782 1.00 0.00 N ATOM 1043 CA ALA A 539 3.371 13.353 -1.955 1.00 0.00 C ATOM 1044 C ALA A 539 1.987 13.762 -2.535 1.00 0.00 C ATOM 1045 O ALA A 539 1.862 14.042 -3.735 1.00 0.00 O ATOM 1046 CB ALA A 539 4.352 12.765 -2.987 1.00 0.00 C ATOM 0 H ALA A 539 3.846 12.844 0.008 1.00 0.00 H new ATOM 0 HA ALA A 539 3.752 14.320 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 539 4.395 13.416 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 539 5.344 12.688 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 539 4.012 11.774 -3.289 1.00 0.00 H new ATOM 1052 N SER A 540 0.950 13.804 -1.685 1.00 0.00 N ATOM 1053 CA SER A 540 -0.421 14.262 -1.996 1.00 0.00 C ATOM 1054 C SER A 540 -0.674 15.740 -1.643 1.00 0.00 C ATOM 1055 O SER A 540 0.228 16.430 -1.116 1.00 0.00 O ATOM 1056 CB SER A 540 -1.420 13.356 -1.273 1.00 0.00 C ATOM 1057 OG SER A 540 -2.701 13.701 -1.755 1.00 0.00 O ATOM 0 H SER A 540 1.045 13.506 -0.714 1.00 0.00 H new ATOM 0 HA SER A 540 -0.551 14.194 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 540 -1.202 12.306 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 540 -1.361 13.498 -0.194 1.00 0.00 H new ATOM 0 HG SER A 540 -3.377 13.141 -1.318 1.00 0.00 H new TER 1063 SER A 540