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 Set 1.1: A 516 LYS NZ :NH3+ -155:sc= 0.172 (180deg=0.0538) USER MOD Set 1.2: A 526 TYR OH : rot 180:sc= 0 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 -95:sc= 0.593 USER MOD Single : A 486 ASN : amide:sc= -0.0123 K(o=-0.012,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) USER MOD Single : A 493 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 494 SER OG : rot -50:sc= 0.221 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= -0.204 K(o=-0.2,f=-0.79) USER MOD Single : A 511 SER OG : rot -40:sc= 0.274 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= 0 X(o=0,f=-0.049) 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 -5.717 -2.345 3.370 1.00 0.00 N ATOM 2 CA GLY A 473 -5.172 -2.158 2.006 1.00 0.00 C ATOM 3 C GLY A 473 -3.655 -1.981 2.001 1.00 0.00 C ATOM 4 O GLY A 473 -3.013 -2.107 3.050 1.00 0.00 O ATOM 0 HA2 GLY A 473 -5.436 -3.019 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 473 -5.638 -1.285 1.549 1.00 0.00 H new ATOM 8 N PRO A 474 -3.055 -1.672 0.834 1.00 0.00 N ATOM 9 CA PRO A 474 -1.620 -1.395 0.701 1.00 0.00 C ATOM 10 C PRO A 474 -1.215 -0.058 1.354 1.00 0.00 C ATOM 11 O PRO A 474 -2.030 0.865 1.475 1.00 0.00 O ATOM 12 CB PRO A 474 -1.356 -1.387 -0.809 1.00 0.00 C ATOM 13 CG PRO A 474 -2.686 -0.925 -1.402 1.00 0.00 C ATOM 14 CD PRO A 474 -3.720 -1.537 -0.457 1.00 0.00 C ATOM 0 HA PRO A 474 -1.023 -2.146 1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 474 -0.543 -0.710 -1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 474 -1.076 -2.376 -1.173 1.00 0.00 H new ATOM 0 HG2 PRO A 474 -2.759 0.162 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 474 -2.816 -1.279 -2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 474 -4.601 -0.900 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 474 -4.059 -2.506 -0.824 1.00 0.00 H new ATOM 22 N LEU A 475 0.054 0.058 1.762 1.00 0.00 N ATOM 23 CA LEU A 475 0.598 1.253 2.428 1.00 0.00 C ATOM 24 C LEU A 475 0.983 2.348 1.415 1.00 0.00 C ATOM 25 O LEU A 475 0.383 3.426 1.418 1.00 0.00 O ATOM 26 CB LEU A 475 1.814 0.858 3.301 1.00 0.00 C ATOM 27 CG LEU A 475 1.519 0.335 4.722 1.00 0.00 C ATOM 28 CD1 LEU A 475 0.896 1.412 5.613 1.00 0.00 C ATOM 29 CD2 LEU A 475 0.618 -0.901 4.750 1.00 0.00 C ATOM 0 H LEU A 475 0.743 -0.684 1.638 1.00 0.00 H new ATOM 0 HA LEU A 475 -0.181 1.670 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 475 2.378 0.092 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 475 2.464 1.728 3.389 1.00 0.00 H new ATOM 0 HG LEU A 475 2.496 0.050 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 475 0.705 0.999 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 475 1.581 2.256 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 475 -0.043 1.749 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 475 0.456 -1.210 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 475 -0.340 -0.663 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 475 1.095 -1.712 4.200 1.00 0.00 H new ATOM 41 N GLY A 476 1.959 2.064 0.542 1.00 0.00 N ATOM 42 CA GLY A 476 2.545 3.010 -0.421 1.00 0.00 C ATOM 43 C GLY A 476 3.434 4.086 0.229 1.00 0.00 C ATOM 44 O GLY A 476 2.953 4.931 0.992 1.00 0.00 O ATOM 0 H GLY A 476 2.378 1.136 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 476 3.136 2.454 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 476 1.741 3.499 -0.971 1.00 0.00 H new ATOM 48 N SER A 477 4.735 4.084 -0.089 1.00 0.00 N ATOM 49 CA SER A 477 5.735 5.042 0.432 1.00 0.00 C ATOM 50 C SER A 477 6.824 5.360 -0.606 1.00 0.00 C ATOM 51 O SER A 477 7.166 4.515 -1.440 1.00 0.00 O ATOM 52 CB SER A 477 6.413 4.483 1.698 1.00 0.00 C ATOM 53 OG SER A 477 5.479 4.177 2.723 1.00 0.00 O ATOM 0 H SER A 477 5.137 3.401 -0.731 1.00 0.00 H new ATOM 0 HA SER A 477 5.196 5.960 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 477 6.973 3.584 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 477 7.133 5.210 2.072 1.00 0.00 H new ATOM 0 HG SER A 477 5.954 3.825 3.504 1.00 0.00 H new ATOM 59 N GLY A 478 7.387 6.575 -0.550 1.00 0.00 N ATOM 60 CA GLY A 478 8.399 7.049 -1.511 1.00 0.00 C ATOM 61 C GLY A 478 8.708 8.550 -1.430 1.00 0.00 C ATOM 62 O GLY A 478 8.702 9.233 -2.460 1.00 0.00 O ATOM 0 H GLY A 478 7.153 7.262 0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 478 9.322 6.493 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 478 8.059 6.816 -2.520 1.00 0.00 H new ATOM 66 N ALA A 479 8.927 9.085 -0.221 1.00 0.00 N ATOM 67 CA ALA A 479 9.122 10.520 0.043 1.00 0.00 C ATOM 68 C ALA A 479 10.178 10.798 1.139 1.00 0.00 C ATOM 69 O ALA A 479 10.632 9.882 1.832 1.00 0.00 O ATOM 70 CB ALA A 479 7.754 11.116 0.418 1.00 0.00 C ATOM 0 H ALA A 479 8.975 8.517 0.625 1.00 0.00 H new ATOM 0 HA ALA A 479 9.516 10.994 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 479 7.864 12.181 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 479 7.057 10.974 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 479 7.371 10.616 1.307 1.00 0.00 H new ATOM 76 N LEU A 480 10.568 12.071 1.297 1.00 0.00 N ATOM 77 CA LEU A 480 11.487 12.536 2.351 1.00 0.00 C ATOM 78 C LEU A 480 10.907 12.324 3.768 1.00 0.00 C ATOM 79 O LEU A 480 9.686 12.282 3.961 1.00 0.00 O ATOM 80 CB LEU A 480 11.824 14.031 2.132 1.00 0.00 C ATOM 81 CG LEU A 480 12.571 14.374 0.827 1.00 0.00 C ATOM 82 CD1 LEU A 480 12.660 15.892 0.666 1.00 0.00 C ATOM 83 CD2 LEU A 480 13.997 13.815 0.819 1.00 0.00 C ATOM 0 H LEU A 480 10.249 12.822 0.685 1.00 0.00 H new ATOM 0 HA LEU A 480 12.396 11.939 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 480 10.894 14.599 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 480 12.427 14.373 2.973 1.00 0.00 H new ATOM 0 HG LEU A 480 12.009 13.923 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 480 13.189 16.130 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 480 11.655 16.313 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 480 13.200 16.317 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 480 14.486 14.080 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 480 14.558 14.237 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 480 13.963 12.730 0.916 1.00 0.00 H new ATOM 95 N LYS A 481 11.792 12.260 4.774 1.00 0.00 N ATOM 96 CA LYS A 481 11.446 12.055 6.193 1.00 0.00 C ATOM 97 C LYS A 481 11.442 13.389 6.957 1.00 0.00 C ATOM 98 O LYS A 481 12.489 13.879 7.387 1.00 0.00 O ATOM 99 CB LYS A 481 12.391 11.023 6.840 1.00 0.00 C ATOM 100 CG LYS A 481 12.253 9.628 6.206 1.00 0.00 C ATOM 101 CD LYS A 481 12.916 8.527 7.054 1.00 0.00 C ATOM 102 CE LYS A 481 14.438 8.675 7.227 1.00 0.00 C ATOM 103 NZ LYS A 481 15.184 8.333 5.986 1.00 0.00 N ATOM 0 H LYS A 481 12.796 12.352 4.621 1.00 0.00 H new ATOM 0 HA LYS A 481 10.435 11.651 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 481 13.421 11.365 6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 481 12.178 10.958 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 481 11.196 9.395 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 481 12.702 9.638 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 481 12.451 8.518 8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 481 12.709 7.560 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 481 14.670 9.700 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 481 14.773 8.030 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 16.204 8.448 6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 14.985 7.347 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 14.885 8.965 5.216 1.00 0.00 H new ATOM 117 N TRP A 482 10.249 13.962 7.133 1.00 0.00 N ATOM 118 CA TRP A 482 10.000 15.221 7.857 1.00 0.00 C ATOM 119 C TRP A 482 9.065 14.993 9.050 1.00 0.00 C ATOM 120 O TRP A 482 8.302 14.021 9.089 1.00 0.00 O ATOM 121 CB TRP A 482 9.395 16.270 6.908 1.00 0.00 C ATOM 122 CG TRP A 482 10.322 16.819 5.871 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.780 16.140 4.797 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.918 18.154 5.776 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.628 16.941 4.062 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.753 18.193 4.620 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.840 19.336 6.542 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.481 19.333 4.252 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.559 20.492 6.183 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.383 20.492 5.042 1.00 0.00 C ATOM 0 H TRP A 482 9.393 13.549 6.762 1.00 0.00 H new ATOM 0 HA TRP A 482 10.954 15.589 8.234 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.538 15.825 6.403 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.017 17.099 7.506 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.521 15.121 4.551 1.00 0.00 H new ATOM 0 HE1 TRP A 482 12.104 16.643 3.210 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.215 19.355 7.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 13.109 19.321 3.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.478 21.384 6.787 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.938 21.379 4.774 1.00 0.00 H new ATOM 141 N VAL A 483 9.098 15.927 10.000 1.00 0.00 N ATOM 142 CA VAL A 483 8.261 15.923 11.202 1.00 0.00 C ATOM 143 C VAL A 483 7.645 17.305 11.426 1.00 0.00 C ATOM 144 O VAL A 483 8.330 18.294 11.701 1.00 0.00 O ATOM 145 CB VAL A 483 9.009 15.414 12.456 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.145 13.887 12.420 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.417 16.004 12.658 1.00 0.00 C ATOM 0 H VAL A 483 9.725 16.730 9.954 1.00 0.00 H new ATOM 0 HA VAL A 483 7.454 15.210 11.033 1.00 0.00 H new ATOM 0 HB VAL A 483 8.393 15.750 13.290 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.674 13.548 13.311 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.154 13.434 12.392 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.704 13.592 11.532 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.860 15.587 13.562 1.00 0.00 H new ATOM 0 HG22 VAL A 483 11.042 15.756 11.800 1.00 0.00 H new ATOM 0 HG23 VAL A 483 10.347 17.087 12.755 1.00 0.00 H new ATOM 157 N LEU A 484 6.321 17.384 11.280 1.00 0.00 N ATOM 158 CA LEU A 484 5.545 18.550 11.700 1.00 0.00 C ATOM 159 C LEU A 484 5.559 18.623 13.240 1.00 0.00 C ATOM 160 O LEU A 484 5.456 17.600 13.925 1.00 0.00 O ATOM 161 CB LEU A 484 4.116 18.421 11.129 1.00 0.00 C ATOM 162 CG LEU A 484 3.292 19.726 11.135 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.874 20.789 10.199 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.864 19.443 10.666 1.00 0.00 C ATOM 0 H LEU A 484 5.757 16.641 10.867 1.00 0.00 H new ATOM 0 HA LEU A 484 5.974 19.477 11.320 1.00 0.00 H new ATOM 0 HB2 LEU A 484 4.182 18.055 10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.578 17.666 11.703 1.00 0.00 H new ATOM 0 HG LEU A 484 3.314 20.100 12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 484 3.258 21.687 10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.890 21.032 10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.889 20.406 9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.289 20.369 10.673 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.887 19.038 9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 484 1.397 18.721 11.336 1.00 0.00 H new ATOM 176 N CYS A 485 5.694 19.820 13.811 1.00 0.00 N ATOM 177 CA CYS A 485 5.554 19.988 15.259 1.00 0.00 C ATOM 178 C CYS A 485 4.070 19.865 15.667 1.00 0.00 C ATOM 179 O CYS A 485 3.196 20.391 14.976 1.00 0.00 O ATOM 180 CB CYS A 485 6.137 21.350 15.647 1.00 0.00 C ATOM 181 SG CYS A 485 6.873 21.278 17.304 1.00 0.00 S ATOM 0 H CYS A 485 5.898 20.679 13.301 1.00 0.00 H new ATOM 0 HA CYS A 485 6.099 19.207 15.789 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.892 21.649 14.920 1.00 0.00 H new ATOM 0 HB3 CYS A 485 5.354 22.108 15.623 1.00 0.00 H new ATOM 0 HG CYS A 485 6.009 21.695 18.181 1.00 0.00 H new ATOM 187 N ASN A 486 3.766 19.213 16.795 1.00 0.00 N ATOM 188 CA ASN A 486 2.385 19.025 17.271 1.00 0.00 C ATOM 189 C ASN A 486 1.963 20.058 18.342 1.00 0.00 C ATOM 190 O ASN A 486 0.770 20.282 18.548 1.00 0.00 O ATOM 191 CB ASN A 486 2.229 17.579 17.785 1.00 0.00 C ATOM 192 CG ASN A 486 0.798 17.054 17.728 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.099 17.613 17.110 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.540 15.919 18.341 1.00 0.00 N ATOM 0 H ASN A 486 4.470 18.799 17.407 1.00 0.00 H new ATOM 0 HA ASN A 486 1.711 19.195 16.431 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.870 16.923 17.196 1.00 0.00 H new ATOM 0 HB3 ASN A 486 2.583 17.530 18.815 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.396 15.517 18.297 1.00 0.00 H new ATOM 0 HD22 ASN A 486 1.276 15.441 18.860 1.00 0.00 H new ATOM 201 N TYR A 487 2.939 20.702 18.994 1.00 0.00 N ATOM 202 CA TYR A 487 2.776 21.685 20.078 1.00 0.00 C ATOM 203 C TYR A 487 3.983 22.639 20.109 1.00 0.00 C ATOM 204 O TYR A 487 5.111 22.213 19.860 1.00 0.00 O ATOM 205 CB TYR A 487 2.689 20.959 21.436 1.00 0.00 C ATOM 206 CG TYR A 487 1.568 19.944 21.549 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.268 20.365 21.892 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.812 18.588 21.249 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.791 19.436 21.916 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.756 17.659 21.260 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.551 18.083 21.591 1.00 0.00 C ATOM 212 OH TYR A 487 -1.584 17.196 21.593 1.00 0.00 O ATOM 0 H TYR A 487 3.921 20.543 18.768 1.00 0.00 H new ATOM 0 HA TYR A 487 1.861 22.250 19.899 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.637 20.454 21.622 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.565 21.704 22.222 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.083 21.401 22.137 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.813 18.262 21.010 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.786 19.759 22.183 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.943 16.624 21.016 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.252 16.307 21.347 1.00 0.00 H new ATOM 222 N ASP A 488 3.775 23.920 20.428 1.00 0.00 N ATOM 223 CA ASP A 488 4.880 24.877 20.591 1.00 0.00 C ATOM 224 C ASP A 488 5.794 24.553 21.795 1.00 0.00 C ATOM 225 O ASP A 488 5.358 23.963 22.792 1.00 0.00 O ATOM 226 CB ASP A 488 4.342 26.312 20.678 1.00 0.00 C ATOM 227 CG ASP A 488 3.642 26.613 22.015 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.444 26.270 22.164 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.277 27.225 22.907 1.00 0.00 O ATOM 0 H ASP A 488 2.850 24.322 20.579 1.00 0.00 H new ATOM 0 HA ASP A 488 5.506 24.786 19.703 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.166 27.012 20.540 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.640 26.481 19.861 1.00 0.00 H new ATOM 234 N PHE A 489 7.060 24.972 21.710 1.00 0.00 N ATOM 235 CA PHE A 489 8.081 24.786 22.749 1.00 0.00 C ATOM 236 C PHE A 489 9.131 25.901 22.661 1.00 0.00 C ATOM 237 O PHE A 489 9.919 25.955 21.713 1.00 0.00 O ATOM 238 CB PHE A 489 8.707 23.390 22.584 1.00 0.00 C ATOM 239 CG PHE A 489 9.811 23.015 23.559 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.493 22.601 24.868 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.157 23.018 23.140 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.515 22.208 25.755 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.175 22.609 24.022 1.00 0.00 C ATOM 244 CZ PHE A 489 11.857 22.221 25.333 1.00 0.00 C ATOM 0 H PHE A 489 7.415 25.466 20.891 1.00 0.00 H new ATOM 0 HA PHE A 489 7.631 24.847 23.740 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.912 22.649 22.669 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.107 23.314 21.573 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.463 22.585 25.192 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.408 23.335 22.139 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.268 21.897 26.759 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.202 22.594 23.689 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.642 21.933 26.017 1.00 0.00 H new ATOM 254 N GLN A 490 9.123 26.820 23.632 1.00 0.00 N ATOM 255 CA GLN A 490 10.140 27.867 23.770 1.00 0.00 C ATOM 256 C GLN A 490 11.457 27.254 24.286 1.00 0.00 C ATOM 257 O GLN A 490 11.474 26.614 25.341 1.00 0.00 O ATOM 258 CB GLN A 490 9.622 28.956 24.725 1.00 0.00 C ATOM 259 CG GLN A 490 10.505 30.213 24.695 1.00 0.00 C ATOM 260 CD GLN A 490 10.105 31.215 25.777 1.00 0.00 C ATOM 261 OE1 GLN A 490 9.068 31.867 25.714 1.00 0.00 O ATOM 262 NE2 GLN A 490 10.900 31.378 26.814 1.00 0.00 N ATOM 0 H GLN A 490 8.402 26.858 24.352 1.00 0.00 H new ATOM 0 HA GLN A 490 10.338 28.322 22.800 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.601 29.223 24.451 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.587 28.561 25.740 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.548 29.928 24.832 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.430 30.686 23.716 1.00 0.00 H new ATOM 0 HE21 GLN A 490 11.766 30.843 26.882 1.00 0.00 H new ATOM 0 HE22 GLN A 490 10.650 32.039 27.550 1.00 0.00 H new ATOM 271 N ALA A 491 12.559 27.461 23.556 1.00 0.00 N ATOM 272 CA ALA A 491 13.872 26.901 23.886 1.00 0.00 C ATOM 273 C ALA A 491 15.017 27.752 23.313 1.00 0.00 C ATOM 274 O ALA A 491 15.070 27.990 22.107 1.00 0.00 O ATOM 275 CB ALA A 491 13.945 25.481 23.349 1.00 0.00 C ATOM 0 H ALA A 491 12.563 28.029 22.709 1.00 0.00 H new ATOM 0 HA ALA A 491 13.990 26.899 24.970 1.00 0.00 H new ATOM 0 HB1 ALA A 491 14.918 25.051 23.588 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.160 24.878 23.806 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.809 25.494 22.268 1.00 0.00 H new ATOM 281 N ARG A 492 15.928 28.222 24.171 1.00 0.00 N ATOM 282 CA ARG A 492 17.009 29.187 23.836 1.00 0.00 C ATOM 283 C ARG A 492 18.268 29.003 24.701 1.00 0.00 C ATOM 284 O ARG A 492 19.135 29.877 24.745 1.00 0.00 O ATOM 285 CB ARG A 492 16.457 30.629 23.961 1.00 0.00 C ATOM 286 CG ARG A 492 15.577 31.087 22.780 1.00 0.00 C ATOM 287 CD ARG A 492 16.358 31.389 21.494 1.00 0.00 C ATOM 288 NE ARG A 492 17.195 32.600 21.627 1.00 0.00 N ATOM 289 CZ ARG A 492 17.984 33.122 20.704 1.00 0.00 C ATOM 290 NH1 ARG A 492 18.126 32.587 19.522 1.00 0.00 N ATOM 291 NH2 ARG A 492 18.654 34.212 20.953 1.00 0.00 N ATOM 0 H ARG A 492 15.944 27.940 25.151 1.00 0.00 H new ATOM 0 HA ARG A 492 17.322 28.995 22.810 1.00 0.00 H new ATOM 0 HB2 ARG A 492 15.875 30.702 24.880 1.00 0.00 H new ATOM 0 HB3 ARG A 492 17.296 31.317 24.059 1.00 0.00 H new ATOM 0 HG2 ARG A 492 14.839 30.313 22.570 1.00 0.00 H new ATOM 0 HG3 ARG A 492 15.027 31.980 23.076 1.00 0.00 H new ATOM 0 HD2 ARG A 492 16.990 30.537 21.245 1.00 0.00 H new ATOM 0 HD3 ARG A 492 15.659 31.520 20.668 1.00 0.00 H new ATOM 0 HE ARG A 492 17.160 33.083 22.525 1.00 0.00 H new ATOM 0 HH11 ARG A 492 17.618 31.735 19.283 1.00 0.00 H new ATOM 0 HH12 ARG A 492 18.745 33.021 18.837 1.00 0.00 H new ATOM 0 HH21 ARG A 492 18.571 34.665 21.863 1.00 0.00 H new ATOM 0 HH22 ARG A 492 19.262 34.612 20.238 1.00 0.00 H new ATOM 305 N ASN A 493 18.373 27.866 25.390 1.00 0.00 N ATOM 306 CA ASN A 493 19.464 27.537 26.319 1.00 0.00 C ATOM 307 C ASN A 493 19.997 26.119 26.051 1.00 0.00 C ATOM 308 O ASN A 493 19.323 25.316 25.413 1.00 0.00 O ATOM 309 CB ASN A 493 18.956 27.690 27.768 1.00 0.00 C ATOM 310 CG ASN A 493 18.763 29.142 28.179 1.00 0.00 C ATOM 311 OD1 ASN A 493 19.695 29.936 28.198 1.00 0.00 O ATOM 312 ND2 ASN A 493 17.563 29.541 28.540 1.00 0.00 N ATOM 0 H ASN A 493 17.680 27.121 25.317 1.00 0.00 H new ATOM 0 HA ASN A 493 20.296 28.224 26.166 1.00 0.00 H new ATOM 0 HB2 ASN A 493 18.010 27.159 27.874 1.00 0.00 H new ATOM 0 HB3 ASN A 493 19.665 27.217 28.448 1.00 0.00 H new ATOM 0 HD21 ASN A 493 17.413 30.506 28.833 1.00 0.00 H new ATOM 0 HD22 ASN A 493 16.782 28.885 28.527 1.00 0.00 H new ATOM 319 N SER A 494 21.200 25.785 26.536 1.00 0.00 N ATOM 320 CA SER A 494 21.836 24.462 26.352 1.00 0.00 C ATOM 321 C SER A 494 21.858 23.961 24.886 1.00 0.00 C ATOM 322 O SER A 494 21.684 22.770 24.617 1.00 0.00 O ATOM 323 CB SER A 494 21.188 23.459 27.325 1.00 0.00 C ATOM 324 OG SER A 494 21.953 22.268 27.428 1.00 0.00 O ATOM 0 H SER A 494 21.773 26.433 27.077 1.00 0.00 H new ATOM 0 HA SER A 494 22.894 24.564 26.593 1.00 0.00 H new ATOM 0 HB2 SER A 494 21.090 23.916 28.310 1.00 0.00 H new ATOM 0 HB3 SER A 494 20.181 23.218 26.984 1.00 0.00 H new ATOM 0 HG SER A 494 22.150 21.927 26.531 1.00 0.00 H new ATOM 330 N SER A 495 22.055 24.880 23.928 1.00 0.00 N ATOM 331 CA SER A 495 22.009 24.652 22.462 1.00 0.00 C ATOM 332 C SER A 495 20.651 24.169 21.903 1.00 0.00 C ATOM 333 O SER A 495 20.570 23.630 20.796 1.00 0.00 O ATOM 334 CB SER A 495 23.178 23.761 22.004 1.00 0.00 C ATOM 335 OG SER A 495 24.424 24.314 22.404 1.00 0.00 O ATOM 0 H SER A 495 22.261 25.852 24.158 1.00 0.00 H new ATOM 0 HA SER A 495 22.127 25.642 22.021 1.00 0.00 H new ATOM 0 HB2 SER A 495 23.066 22.762 22.426 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.155 23.653 20.920 1.00 0.00 H new ATOM 0 HG SER A 495 25.152 23.731 22.104 1.00 0.00 H new ATOM 341 N GLU A 496 19.561 24.371 22.646 1.00 0.00 N ATOM 342 CA GLU A 496 18.173 24.192 22.187 1.00 0.00 C ATOM 343 C GLU A 496 17.702 25.351 21.272 1.00 0.00 C ATOM 344 O GLU A 496 18.340 26.408 21.210 1.00 0.00 O ATOM 345 CB GLU A 496 17.250 24.092 23.412 1.00 0.00 C ATOM 346 CG GLU A 496 17.550 22.892 24.331 1.00 0.00 C ATOM 347 CD GLU A 496 16.931 23.016 25.743 1.00 0.00 C ATOM 348 OE1 GLU A 496 15.902 23.709 25.936 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.470 22.385 26.687 1.00 0.00 O ATOM 0 H GLU A 496 19.617 24.674 23.618 1.00 0.00 H new ATOM 0 HA GLU A 496 18.130 23.276 21.597 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.335 25.010 23.993 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.217 24.025 23.070 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.176 21.983 23.859 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.630 22.781 24.427 1.00 0.00 H new ATOM 356 N LEU A 497 16.565 25.172 20.579 1.00 0.00 N ATOM 357 CA LEU A 497 15.972 26.177 19.678 1.00 0.00 C ATOM 358 C LEU A 497 14.432 26.068 19.626 1.00 0.00 C ATOM 359 O LEU A 497 13.881 24.969 19.546 1.00 0.00 O ATOM 360 CB LEU A 497 16.606 25.993 18.282 1.00 0.00 C ATOM 361 CG LEU A 497 16.251 27.134 17.309 1.00 0.00 C ATOM 362 CD1 LEU A 497 17.460 27.540 16.470 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.121 26.713 16.373 1.00 0.00 C ATOM 0 H LEU A 497 16.022 24.310 20.629 1.00 0.00 H new ATOM 0 HA LEU A 497 16.184 27.178 20.053 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.689 25.934 18.385 1.00 0.00 H new ATOM 0 HB3 LEU A 497 16.274 25.045 17.859 1.00 0.00 H new ATOM 0 HG LEU A 497 15.931 27.984 17.911 1.00 0.00 H new ATOM 0 HD11 LEU A 497 17.179 28.347 15.793 1.00 0.00 H new ATOM 0 HD12 LEU A 497 18.261 27.880 17.127 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.805 26.684 15.890 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.886 27.533 15.694 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.432 25.842 15.796 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.237 26.463 16.959 1.00 0.00 H new ATOM 375 N SER A 498 13.740 27.214 19.686 1.00 0.00 N ATOM 376 CA SER A 498 12.275 27.296 19.817 1.00 0.00 C ATOM 377 C SER A 498 11.512 26.830 18.568 1.00 0.00 C ATOM 378 O SER A 498 11.912 27.135 17.441 1.00 0.00 O ATOM 379 CB SER A 498 11.859 28.733 20.171 1.00 0.00 C ATOM 380 OG SER A 498 12.220 29.668 19.169 1.00 0.00 O ATOM 0 H SER A 498 14.190 28.129 19.644 1.00 0.00 H new ATOM 0 HA SER A 498 12.004 26.609 20.619 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.780 28.768 20.323 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.324 29.020 21.114 1.00 0.00 H new ATOM 0 HG SER A 498 11.933 30.565 19.440 1.00 0.00 H new ATOM 386 N VAL A 499 10.372 26.157 18.761 1.00 0.00 N ATOM 387 CA VAL A 499 9.548 25.575 17.681 1.00 0.00 C ATOM 388 C VAL A 499 8.050 25.825 17.884 1.00 0.00 C ATOM 389 O VAL A 499 7.600 26.100 19.000 1.00 0.00 O ATOM 390 CB VAL A 499 9.814 24.065 17.508 1.00 0.00 C ATOM 391 CG1 VAL A 499 11.245 23.788 17.030 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.568 23.252 18.785 1.00 0.00 C ATOM 0 H VAL A 499 9.983 25.995 19.690 1.00 0.00 H new ATOM 0 HA VAL A 499 9.849 26.088 16.768 1.00 0.00 H new ATOM 0 HB VAL A 499 9.097 23.745 16.752 1.00 0.00 H new ATOM 0 HG11 VAL A 499 11.391 22.713 16.921 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.408 24.276 16.069 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.954 24.178 17.760 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.774 22.199 18.591 1.00 0.00 H new ATOM 0 HG22 VAL A 499 10.225 23.611 19.577 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.529 23.367 19.095 1.00 0.00 H new ATOM 402 N LYS A 500 7.277 25.734 16.791 1.00 0.00 N ATOM 403 CA LYS A 500 5.857 26.132 16.704 1.00 0.00 C ATOM 404 C LYS A 500 5.033 25.041 16.012 1.00 0.00 C ATOM 405 O LYS A 500 5.511 24.409 15.073 1.00 0.00 O ATOM 406 CB LYS A 500 5.738 27.441 15.903 1.00 0.00 C ATOM 407 CG LYS A 500 6.522 28.627 16.498 1.00 0.00 C ATOM 408 CD LYS A 500 7.395 29.268 15.409 1.00 0.00 C ATOM 409 CE LYS A 500 8.238 30.461 15.889 1.00 0.00 C ATOM 410 NZ LYS A 500 7.412 31.657 16.214 1.00 0.00 N ATOM 0 H LYS A 500 7.634 25.368 15.908 1.00 0.00 H new ATOM 0 HA LYS A 500 5.474 26.277 17.714 1.00 0.00 H new ATOM 0 HB2 LYS A 500 6.089 27.263 14.886 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.685 27.716 15.834 1.00 0.00 H new ATOM 0 HG2 LYS A 500 5.831 29.365 16.905 1.00 0.00 H new ATOM 0 HG3 LYS A 500 7.146 28.285 17.324 1.00 0.00 H new ATOM 0 HD2 LYS A 500 8.062 28.508 15.002 1.00 0.00 H new ATOM 0 HD3 LYS A 500 6.752 29.598 14.593 1.00 0.00 H new ATOM 0 HE2 LYS A 500 8.806 30.167 16.771 1.00 0.00 H new ATOM 0 HE3 LYS A 500 8.961 30.723 15.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 8.031 32.430 16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 6.889 31.958 15.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 6.739 31.419 16.970 1.00 0.00 H new ATOM 424 N GLN A 501 3.768 24.875 16.407 1.00 0.00 N ATOM 425 CA GLN A 501 2.844 23.851 15.879 1.00 0.00 C ATOM 426 C GLN A 501 2.558 23.965 14.363 1.00 0.00 C ATOM 427 O GLN A 501 2.102 23.006 13.739 1.00 0.00 O ATOM 428 CB GLN A 501 1.561 23.905 16.724 1.00 0.00 C ATOM 429 CG GLN A 501 0.577 22.749 16.471 1.00 0.00 C ATOM 430 CD GLN A 501 -0.440 22.982 15.348 1.00 0.00 C ATOM 431 OE1 GLN A 501 -0.899 24.090 15.088 1.00 0.00 O ATOM 432 NE2 GLN A 501 -0.853 21.946 14.646 1.00 0.00 N ATOM 0 H GLN A 501 3.340 25.462 17.123 1.00 0.00 H new ATOM 0 HA GLN A 501 3.323 22.876 15.967 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.836 23.906 17.779 1.00 0.00 H new ATOM 0 HB3 GLN A 501 1.051 24.848 16.527 1.00 0.00 H new ATOM 0 HG2 GLN A 501 1.150 21.852 16.238 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.033 22.549 17.394 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -0.485 21.016 14.845 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -1.541 22.074 13.904 1.00 0.00 H new ATOM 441 N ARG A 502 2.862 25.118 13.753 1.00 0.00 N ATOM 442 CA ARG A 502 2.628 25.416 12.325 1.00 0.00 C ATOM 443 C ARG A 502 3.926 25.524 11.511 1.00 0.00 C ATOM 444 O ARG A 502 3.932 26.080 10.412 1.00 0.00 O ATOM 445 CB ARG A 502 1.730 26.662 12.192 1.00 0.00 C ATOM 446 CG ARG A 502 0.382 26.487 12.914 1.00 0.00 C ATOM 447 CD ARG A 502 -0.624 27.589 12.564 1.00 0.00 C ATOM 448 NE ARG A 502 -0.164 28.931 12.979 1.00 0.00 N ATOM 449 CZ ARG A 502 -0.810 30.069 12.801 1.00 0.00 C ATOM 450 NH1 ARG A 502 -1.986 30.120 12.238 1.00 0.00 N ATOM 451 NH2 ARG A 502 -0.282 31.195 13.189 1.00 0.00 N ATOM 0 H ARG A 502 3.292 25.897 14.252 1.00 0.00 H new ATOM 0 HA ARG A 502 2.101 24.569 11.886 1.00 0.00 H new ATOM 0 HB2 ARG A 502 2.250 27.528 12.602 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.551 26.868 11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.042 25.517 12.653 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.549 26.482 13.991 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -0.801 27.586 11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -1.578 27.371 13.045 1.00 0.00 H new ATOM 0 HE ARG A 502 0.740 28.983 13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.436 29.262 11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -2.455 31.018 12.117 1.00 0.00 H new ATOM 0 HH21 ARG A 502 0.636 31.201 13.633 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -0.787 32.070 13.048 1.00 0.00 H new ATOM 465 N ASP A 503 5.024 24.986 12.043 1.00 0.00 N ATOM 466 CA ASP A 503 6.358 25.017 11.439 1.00 0.00 C ATOM 467 C ASP A 503 6.852 23.584 11.144 1.00 0.00 C ATOM 468 O ASP A 503 6.983 22.757 12.053 1.00 0.00 O ATOM 469 CB ASP A 503 7.301 25.785 12.380 1.00 0.00 C ATOM 470 CG ASP A 503 8.663 26.116 11.752 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.809 26.022 10.511 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.572 26.532 12.511 1.00 0.00 O ATOM 0 H ASP A 503 5.009 24.499 12.939 1.00 0.00 H new ATOM 0 HA ASP A 503 6.332 25.535 10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.817 26.712 12.688 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.460 25.194 13.282 1.00 0.00 H new ATOM 477 N VAL A 504 7.065 23.268 9.859 1.00 0.00 N ATOM 478 CA VAL A 504 7.505 21.941 9.388 1.00 0.00 C ATOM 479 C VAL A 504 9.036 21.828 9.441 1.00 0.00 C ATOM 480 O VAL A 504 9.754 22.696 8.934 1.00 0.00 O ATOM 481 CB VAL A 504 6.902 21.626 8.000 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.366 22.546 6.860 1.00 0.00 C ATOM 483 CG2 VAL A 504 7.156 20.164 7.595 1.00 0.00 C ATOM 0 H VAL A 504 6.935 23.938 9.101 1.00 0.00 H new ATOM 0 HA VAL A 504 7.124 21.172 10.060 1.00 0.00 H new ATOM 0 HB VAL A 504 5.836 21.810 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.887 22.242 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.093 23.576 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.448 22.473 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.719 19.977 6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.229 19.979 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.700 19.499 8.328 1.00 0.00 H new ATOM 493 N LEU A 505 9.543 20.757 10.064 1.00 0.00 N ATOM 494 CA LEU A 505 10.960 20.592 10.410 1.00 0.00 C ATOM 495 C LEU A 505 11.509 19.271 9.850 1.00 0.00 C ATOM 496 O LEU A 505 10.774 18.292 9.686 1.00 0.00 O ATOM 497 CB LEU A 505 11.134 20.602 11.946 1.00 0.00 C ATOM 498 CG LEU A 505 10.430 21.728 12.731 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.690 21.548 14.225 1.00 0.00 C ATOM 500 CD2 LEU A 505 10.920 23.128 12.354 1.00 0.00 C ATOM 0 H LEU A 505 8.967 19.964 10.348 1.00 0.00 H new ATOM 0 HA LEU A 505 11.514 21.421 9.970 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.777 19.647 12.332 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.201 20.655 12.164 1.00 0.00 H new ATOM 0 HG LEU A 505 9.372 21.653 12.482 1.00 0.00 H new ATOM 0 HD11 LEU A 505 10.192 22.344 14.779 1.00 0.00 H new ATOM 0 HD12 LEU A 505 10.301 20.582 14.548 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.762 21.589 14.415 1.00 0.00 H new ATOM 0 HD21 LEU A 505 10.384 23.872 12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 505 11.988 23.206 12.556 1.00 0.00 H new ATOM 0 HD23 LEU A 505 10.737 23.304 11.294 1.00 0.00 H new ATOM 512 N GLU A 506 12.820 19.214 9.619 1.00 0.00 N ATOM 513 CA GLU A 506 13.503 17.984 9.208 1.00 0.00 C ATOM 514 C GLU A 506 14.334 17.441 10.373 1.00 0.00 C ATOM 515 O GLU A 506 15.167 18.153 10.939 1.00 0.00 O ATOM 516 CB GLU A 506 14.327 18.223 7.930 1.00 0.00 C ATOM 517 CG GLU A 506 14.947 16.915 7.414 1.00 0.00 C ATOM 518 CD GLU A 506 15.421 17.011 5.947 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.126 17.983 5.578 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.132 16.083 5.152 1.00 0.00 O ATOM 0 H GLU A 506 13.440 20.018 9.711 1.00 0.00 H new ATOM 0 HA GLU A 506 12.770 17.218 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.689 18.655 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.116 18.947 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.793 16.646 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.215 16.112 7.502 1.00 0.00 H new ATOM 527 N VAL A 507 14.069 16.189 10.763 1.00 0.00 N ATOM 528 CA VAL A 507 14.837 15.470 11.791 1.00 0.00 C ATOM 529 C VAL A 507 16.268 15.189 11.307 1.00 0.00 C ATOM 530 O VAL A 507 16.494 14.819 10.151 1.00 0.00 O ATOM 531 CB VAL A 507 14.099 14.187 12.238 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.810 13.183 11.113 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.848 13.463 13.361 1.00 0.00 C ATOM 0 H VAL A 507 13.306 15.638 10.370 1.00 0.00 H new ATOM 0 HA VAL A 507 14.920 16.107 12.672 1.00 0.00 H new ATOM 0 HB VAL A 507 13.137 14.554 12.595 1.00 0.00 H new ATOM 0 HG11 VAL A 507 13.291 12.317 11.523 1.00 0.00 H new ATOM 0 HG12 VAL A 507 13.185 13.656 10.355 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.749 12.863 10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 507 14.297 12.567 13.647 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.842 13.182 13.013 1.00 0.00 H new ATOM 0 HG23 VAL A 507 14.938 14.124 14.223 1.00 0.00 H new ATOM 543 N LEU A 508 17.233 15.355 12.215 1.00 0.00 N ATOM 544 CA LEU A 508 18.675 15.238 11.957 1.00 0.00 C ATOM 545 C LEU A 508 19.332 14.183 12.863 1.00 0.00 C ATOM 546 O LEU A 508 20.190 13.422 12.408 1.00 0.00 O ATOM 547 CB LEU A 508 19.335 16.608 12.199 1.00 0.00 C ATOM 548 CG LEU A 508 18.739 17.796 11.424 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.378 19.078 11.950 1.00 0.00 C ATOM 550 CD2 LEU A 508 18.982 17.691 9.918 1.00 0.00 C ATOM 0 H LEU A 508 17.026 15.583 13.187 1.00 0.00 H new ATOM 0 HA LEU A 508 18.816 14.920 10.924 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.279 16.832 13.264 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.392 16.529 11.945 1.00 0.00 H new ATOM 0 HG LEU A 508 17.660 17.797 11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 508 18.970 19.935 11.414 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.165 19.181 13.014 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.457 19.036 11.798 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.542 18.553 9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.054 17.667 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.523 16.778 9.538 1.00 0.00 H new ATOM 562 N ASP A 509 18.863 14.089 14.111 1.00 0.00 N ATOM 563 CA ASP A 509 19.265 13.098 15.113 1.00 0.00 C ATOM 564 C ASP A 509 18.000 12.462 15.709 1.00 0.00 C ATOM 565 O ASP A 509 17.085 13.173 16.127 1.00 0.00 O ATOM 566 CB ASP A 509 20.073 13.751 16.253 1.00 0.00 C ATOM 567 CG ASP A 509 21.527 14.133 15.916 1.00 0.00 C ATOM 568 OD1 ASP A 509 21.803 14.765 14.872 1.00 0.00 O ATOM 569 OD2 ASP A 509 22.417 13.840 16.752 1.00 0.00 O ATOM 0 H ASP A 509 18.158 14.734 14.467 1.00 0.00 H new ATOM 0 HA ASP A 509 19.892 12.349 14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 509 19.547 14.650 16.576 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.085 13.067 17.101 1.00 0.00 H new ATOM 574 N ASP A 510 17.969 11.129 15.776 1.00 0.00 N ATOM 575 CA ASP A 510 16.835 10.328 16.275 1.00 0.00 C ATOM 576 C ASP A 510 17.267 9.188 17.233 1.00 0.00 C ATOM 577 O ASP A 510 16.480 8.296 17.564 1.00 0.00 O ATOM 578 CB ASP A 510 15.996 9.833 15.080 1.00 0.00 C ATOM 579 CG ASP A 510 16.782 9.006 14.044 1.00 0.00 C ATOM 580 OD1 ASP A 510 17.609 8.139 14.420 1.00 0.00 O ATOM 581 OD2 ASP A 510 16.560 9.206 12.825 1.00 0.00 O ATOM 0 H ASP A 510 18.756 10.553 15.476 1.00 0.00 H new ATOM 0 HA ASP A 510 16.207 10.969 16.894 1.00 0.00 H new ATOM 0 HB2 ASP A 510 15.171 9.229 15.457 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.556 10.696 14.579 1.00 0.00 H new ATOM 586 N SER A 511 18.526 9.225 17.702 1.00 0.00 N ATOM 587 CA SER A 511 19.160 8.181 18.532 1.00 0.00 C ATOM 588 C SER A 511 18.967 8.362 20.054 1.00 0.00 C ATOM 589 O SER A 511 19.429 7.524 20.836 1.00 0.00 O ATOM 590 CB SER A 511 20.657 8.123 18.185 1.00 0.00 C ATOM 591 OG SER A 511 21.260 6.934 18.673 1.00 0.00 O ATOM 0 H SER A 511 19.152 10.007 17.509 1.00 0.00 H new ATOM 0 HA SER A 511 18.659 7.242 18.296 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.783 8.178 17.104 1.00 0.00 H new ATOM 0 HB3 SER A 511 21.164 8.990 18.610 1.00 0.00 H new ATOM 0 HG SER A 511 20.902 6.726 19.561 1.00 0.00 H new ATOM 597 N ARG A 512 18.298 9.441 20.487 1.00 0.00 N ATOM 598 CA ARG A 512 17.962 9.790 21.886 1.00 0.00 C ATOM 599 C ARG A 512 16.541 10.375 21.986 1.00 0.00 C ATOM 600 O ARG A 512 15.863 10.520 20.971 1.00 0.00 O ATOM 601 CB ARG A 512 19.008 10.783 22.437 1.00 0.00 C ATOM 602 CG ARG A 512 20.409 10.164 22.588 1.00 0.00 C ATOM 603 CD ARG A 512 21.285 10.954 23.573 1.00 0.00 C ATOM 604 NE ARG A 512 20.794 10.820 24.963 1.00 0.00 N ATOM 605 CZ ARG A 512 21.040 11.624 25.985 1.00 0.00 C ATOM 606 NH1 ARG A 512 21.827 12.659 25.889 1.00 0.00 N ATOM 607 NH2 ARG A 512 20.485 11.398 27.142 1.00 0.00 N ATOM 0 H ARG A 512 17.953 10.142 19.831 1.00 0.00 H new ATOM 0 HA ARG A 512 17.983 8.882 22.489 1.00 0.00 H new ATOM 0 HB2 ARG A 512 19.068 11.644 21.772 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.674 11.152 23.407 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.315 9.134 22.932 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.898 10.131 21.614 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.313 10.598 23.513 1.00 0.00 H new ATOM 0 HD3 ARG A 512 21.295 12.006 23.289 1.00 0.00 H new ATOM 0 HE ARG A 512 20.197 10.015 25.155 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.280 12.875 25.001 1.00 0.00 H new ATOM 0 HH12 ARG A 512 21.990 13.253 26.702 1.00 0.00 H new ATOM 0 HH21 ARG A 512 19.860 10.601 27.261 1.00 0.00 H new ATOM 0 HH22 ARG A 512 20.675 12.018 27.929 1.00 0.00 H new ATOM 621 N LYS A 513 16.088 10.732 23.197 1.00 0.00 N ATOM 622 CA LYS A 513 14.798 11.422 23.445 1.00 0.00 C ATOM 623 C LYS A 513 14.776 12.879 22.957 1.00 0.00 C ATOM 624 O LYS A 513 13.735 13.379 22.531 1.00 0.00 O ATOM 625 CB LYS A 513 14.464 11.378 24.943 1.00 0.00 C ATOM 626 CG LYS A 513 14.180 9.942 25.415 1.00 0.00 C ATOM 627 CD LYS A 513 13.952 9.866 26.928 1.00 0.00 C ATOM 628 CE LYS A 513 12.682 10.606 27.373 1.00 0.00 C ATOM 629 NZ LYS A 513 12.484 10.511 28.844 1.00 0.00 N ATOM 0 H LYS A 513 16.613 10.549 24.052 1.00 0.00 H new ATOM 0 HA LYS A 513 14.046 10.886 22.866 1.00 0.00 H new ATOM 0 HB2 LYS A 513 15.295 11.792 25.514 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.596 12.006 25.142 1.00 0.00 H new ATOM 0 HG2 LYS A 513 13.301 9.558 24.897 1.00 0.00 H new ATOM 0 HG3 LYS A 513 15.017 9.299 25.142 1.00 0.00 H new ATOM 0 HD2 LYS A 513 13.883 8.821 27.229 1.00 0.00 H new ATOM 0 HD3 LYS A 513 14.814 10.290 27.443 1.00 0.00 H new ATOM 0 HE2 LYS A 513 12.749 11.654 27.081 1.00 0.00 H new ATOM 0 HE3 LYS A 513 11.816 10.186 26.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 11.618 11.021 29.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 12.396 9.512 29.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 13.299 10.934 29.332 1.00 0.00 H new ATOM 643 N TRP A 514 15.924 13.557 23.003 1.00 0.00 N ATOM 644 CA TRP A 514 16.109 14.912 22.472 1.00 0.00 C ATOM 645 C TRP A 514 16.530 14.843 21.002 1.00 0.00 C ATOM 646 O TRP A 514 17.720 14.780 20.679 1.00 0.00 O ATOM 647 CB TRP A 514 17.109 15.697 23.330 1.00 0.00 C ATOM 648 CG TRP A 514 16.607 16.055 24.695 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.663 15.268 25.795 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.944 17.288 25.121 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.071 15.916 26.861 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.604 17.165 26.502 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.598 18.498 24.479 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.945 18.182 27.207 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.945 19.532 25.179 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.614 19.374 26.538 1.00 0.00 C ATOM 0 H TRP A 514 16.772 13.172 23.420 1.00 0.00 H new ATOM 0 HA TRP A 514 15.163 15.452 22.518 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.020 15.108 23.434 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.380 16.613 22.804 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.104 14.283 25.833 1.00 0.00 H new ATOM 0 HE1 TRP A 514 15.989 15.521 27.798 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.838 18.633 23.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.695 18.052 28.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.697 20.451 24.670 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.106 20.167 27.066 1.00 0.00 H new ATOM 667 N TRP A 515 15.546 14.797 20.102 1.00 0.00 N ATOM 668 CA TRP A 515 15.781 14.858 18.659 1.00 0.00 C ATOM 669 C TRP A 515 16.341 16.233 18.272 1.00 0.00 C ATOM 670 O TRP A 515 15.901 17.267 18.784 1.00 0.00 O ATOM 671 CB TRP A 515 14.486 14.540 17.887 1.00 0.00 C ATOM 672 CG TRP A 515 14.065 13.096 17.879 1.00 0.00 C ATOM 673 CD1 TRP A 515 14.486 12.149 18.747 1.00 0.00 C ATOM 674 CD2 TRP A 515 13.167 12.392 16.956 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.915 10.932 18.451 1.00 0.00 N ATOM 676 CE2 TRP A 515 13.095 11.020 17.351 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.410 12.766 15.822 1.00 0.00 C ATOM 678 CZ2 TRP A 515 12.316 10.074 16.671 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.641 11.817 15.117 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.589 10.476 15.540 1.00 0.00 C ATOM 0 H TRP A 515 14.561 14.716 20.355 1.00 0.00 H new ATOM 0 HA TRP A 515 16.521 14.104 18.388 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.677 15.132 18.314 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.611 14.868 16.855 1.00 0.00 H new ATOM 0 HD1 TRP A 515 15.175 12.323 19.560 1.00 0.00 H new ATOM 0 HE1 TRP A 515 14.079 10.075 18.980 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.421 13.794 15.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 12.276 9.050 17.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 11.086 12.123 14.243 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.992 9.759 14.996 1.00 0.00 H new ATOM 691 N LYS A 516 17.310 16.253 17.349 1.00 0.00 N ATOM 692 CA LYS A 516 17.784 17.495 16.721 1.00 0.00 C ATOM 693 C LYS A 516 16.982 17.728 15.439 1.00 0.00 C ATOM 694 O LYS A 516 16.765 16.792 14.664 1.00 0.00 O ATOM 695 CB LYS A 516 19.300 17.435 16.456 1.00 0.00 C ATOM 696 CG LYS A 516 19.921 18.845 16.429 1.00 0.00 C ATOM 697 CD LYS A 516 21.173 18.956 15.545 1.00 0.00 C ATOM 698 CE LYS A 516 22.287 17.953 15.859 1.00 0.00 C ATOM 699 NZ LYS A 516 23.021 18.286 17.110 1.00 0.00 N ATOM 0 H LYS A 516 17.786 15.414 17.017 1.00 0.00 H new ATOM 0 HA LYS A 516 17.625 18.338 17.393 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.783 16.838 17.229 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.485 16.936 15.505 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.173 19.554 16.074 1.00 0.00 H new ATOM 0 HG3 LYS A 516 20.180 19.137 17.447 1.00 0.00 H new ATOM 0 HD2 LYS A 516 20.875 18.829 14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.577 19.964 15.640 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.858 16.955 15.949 1.00 0.00 H new ATOM 0 HE3 LYS A 516 22.990 17.924 15.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.977 17.880 17.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 23.088 19.319 17.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 22.512 17.892 17.927 1.00 0.00 H new ATOM 713 N VAL A 517 16.559 18.968 15.210 1.00 0.00 N ATOM 714 CA VAL A 517 15.679 19.368 14.095 1.00 0.00 C ATOM 715 C VAL A 517 16.219 20.620 13.399 1.00 0.00 C ATOM 716 O VAL A 517 16.892 21.445 14.025 1.00 0.00 O ATOM 717 CB VAL A 517 14.233 19.609 14.582 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.574 18.319 15.087 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.115 20.678 15.679 1.00 0.00 C ATOM 0 H VAL A 517 16.822 19.752 15.808 1.00 0.00 H new ATOM 0 HA VAL A 517 15.664 18.548 13.376 1.00 0.00 H new ATOM 0 HB VAL A 517 13.711 19.975 13.698 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.559 18.535 15.419 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.544 17.586 14.281 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.151 17.918 15.920 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.070 20.789 15.968 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.701 20.375 16.547 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.491 21.629 15.302 1.00 0.00 H new ATOM 729 N ARG A 518 15.904 20.770 12.107 1.00 0.00 N ATOM 730 CA ARG A 518 16.267 21.932 11.285 1.00 0.00 C ATOM 731 C ARG A 518 15.059 22.857 11.108 1.00 0.00 C ATOM 732 O ARG A 518 14.053 22.479 10.501 1.00 0.00 O ATOM 733 CB ARG A 518 16.786 21.461 9.912 1.00 0.00 C ATOM 734 CG ARG A 518 17.664 22.538 9.251 1.00 0.00 C ATOM 735 CD ARG A 518 17.912 22.265 7.764 1.00 0.00 C ATOM 736 NE ARG A 518 18.609 20.982 7.535 1.00 0.00 N ATOM 737 CZ ARG A 518 18.528 20.234 6.447 1.00 0.00 C ATOM 738 NH1 ARG A 518 17.877 20.620 5.386 1.00 0.00 N ATOM 739 NH2 ARG A 518 19.114 19.072 6.398 1.00 0.00 N ATOM 0 H ARG A 518 15.375 20.068 11.590 1.00 0.00 H new ATOM 0 HA ARG A 518 17.057 22.489 11.790 1.00 0.00 H new ATOM 0 HB2 ARG A 518 17.361 20.543 10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 518 15.943 21.226 9.262 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.185 23.511 9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 518 18.620 22.591 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 518 16.959 22.257 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 518 18.504 23.077 7.342 1.00 0.00 H new ATOM 0 HE ARG A 518 19.209 20.641 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 518 17.408 21.526 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 518 17.836 20.016 4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 518 19.641 18.732 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 518 19.046 18.502 5.555 1.00 0.00 H new ATOM 753 N ASP A 519 15.163 24.064 11.644 1.00 0.00 N ATOM 754 CA ASP A 519 14.243 25.186 11.405 1.00 0.00 C ATOM 755 C ASP A 519 14.435 25.833 10.008 1.00 0.00 C ATOM 756 O ASP A 519 15.503 25.687 9.398 1.00 0.00 O ATOM 757 CB ASP A 519 14.459 26.218 12.520 1.00 0.00 C ATOM 758 CG ASP A 519 15.931 26.628 12.615 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.348 27.547 11.867 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.652 26.000 13.421 1.00 0.00 O ATOM 0 H ASP A 519 15.919 24.307 12.285 1.00 0.00 H new ATOM 0 HA ASP A 519 13.220 24.811 11.418 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.845 27.098 12.329 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.132 25.802 13.473 1.00 0.00 H new ATOM 765 N PRO A 520 13.437 26.575 9.482 1.00 0.00 N ATOM 766 CA PRO A 520 13.496 27.175 8.143 1.00 0.00 C ATOM 767 C PRO A 520 14.449 28.379 8.014 1.00 0.00 C ATOM 768 O PRO A 520 14.758 28.788 6.890 1.00 0.00 O ATOM 769 CB PRO A 520 12.054 27.578 7.818 1.00 0.00 C ATOM 770 CG PRO A 520 11.458 27.863 9.191 1.00 0.00 C ATOM 771 CD PRO A 520 12.113 26.789 10.057 1.00 0.00 C ATOM 0 HA PRO A 520 13.909 26.451 7.441 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.016 28.455 7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.518 26.780 7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.698 28.868 9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.371 27.777 9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.184 27.112 11.095 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.529 25.869 10.049 1.00 0.00 H new ATOM 779 N ALA A 521 14.944 28.945 9.124 1.00 0.00 N ATOM 780 CA ALA A 521 15.992 29.974 9.102 1.00 0.00 C ATOM 781 C ALA A 521 17.375 29.398 8.729 1.00 0.00 C ATOM 782 O ALA A 521 18.284 30.153 8.367 1.00 0.00 O ATOM 783 CB ALA A 521 16.040 30.689 10.460 1.00 0.00 C ATOM 0 H ALA A 521 14.628 28.702 10.063 1.00 0.00 H new ATOM 0 HA ALA A 521 15.739 30.694 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.818 31.452 10.442 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.076 31.158 10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.260 29.965 11.245 1.00 0.00 H new ATOM 789 N GLY A 522 17.537 28.071 8.804 1.00 0.00 N ATOM 790 CA GLY A 522 18.754 27.349 8.425 1.00 0.00 C ATOM 791 C GLY A 522 19.647 26.975 9.613 1.00 0.00 C ATOM 792 O GLY A 522 20.785 26.541 9.405 1.00 0.00 O ATOM 0 H GLY A 522 16.800 27.452 9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.475 26.440 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.328 27.962 7.730 1.00 0.00 H new ATOM 796 N GLN A 523 19.163 27.157 10.845 1.00 0.00 N ATOM 797 CA GLN A 523 19.856 26.769 12.076 1.00 0.00 C ATOM 798 C GLN A 523 19.480 25.323 12.481 1.00 0.00 C ATOM 799 O GLN A 523 18.816 24.596 11.732 1.00 0.00 O ATOM 800 CB GLN A 523 19.567 27.791 13.198 1.00 0.00 C ATOM 801 CG GLN A 523 19.655 29.267 12.768 1.00 0.00 C ATOM 802 CD GLN A 523 19.639 30.204 13.975 1.00 0.00 C ATOM 803 OE1 GLN A 523 18.608 30.729 14.385 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.774 30.455 14.597 1.00 0.00 N ATOM 0 H GLN A 523 18.255 27.589 11.018 1.00 0.00 H new ATOM 0 HA GLN A 523 20.932 26.778 11.900 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.569 27.602 13.594 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.271 27.622 14.013 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.568 29.426 12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.820 29.506 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 523 21.640 30.027 14.270 1.00 0.00 H new ATOM 0 HE22 GLN A 523 20.786 31.077 15.405 1.00 0.00 H new ATOM 813 N GLU A 524 19.934 24.884 13.659 1.00 0.00 N ATOM 814 CA GLU A 524 19.567 23.595 14.265 1.00 0.00 C ATOM 815 C GLU A 524 19.462 23.735 15.796 1.00 0.00 C ATOM 816 O GLU A 524 20.141 24.572 16.403 1.00 0.00 O ATOM 817 CB GLU A 524 20.615 22.507 13.940 1.00 0.00 C ATOM 818 CG GLU A 524 20.935 22.307 12.449 1.00 0.00 C ATOM 819 CD GLU A 524 22.075 21.299 12.179 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.744 20.812 13.123 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.341 21.011 10.984 1.00 0.00 O ATOM 0 H GLU A 524 20.581 25.425 14.232 1.00 0.00 H new ATOM 0 HA GLU A 524 18.604 23.300 13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.540 22.754 14.460 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.264 21.559 14.347 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.035 21.967 11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.204 23.269 12.014 1.00 0.00 H new ATOM 828 N GLY A 525 18.667 22.877 16.439 1.00 0.00 N ATOM 829 CA GLY A 525 18.649 22.727 17.898 1.00 0.00 C ATOM 830 C GLY A 525 17.936 21.464 18.386 1.00 0.00 C ATOM 831 O GLY A 525 17.173 20.832 17.649 1.00 0.00 O ATOM 0 H GLY A 525 18.011 22.261 15.959 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.676 22.717 18.264 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.163 23.598 18.336 1.00 0.00 H new ATOM 835 N TYR A 526 18.202 21.092 19.640 1.00 0.00 N ATOM 836 CA TYR A 526 17.543 19.978 20.330 1.00 0.00 C ATOM 837 C TYR A 526 16.145 20.352 20.851 1.00 0.00 C ATOM 838 O TYR A 526 15.940 21.452 21.375 1.00 0.00 O ATOM 839 CB TYR A 526 18.428 19.513 21.497 1.00 0.00 C ATOM 840 CG TYR A 526 19.703 18.802 21.077 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.619 17.603 20.343 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.964 19.312 21.444 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.787 16.906 19.981 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.137 18.614 21.089 1.00 0.00 C ATOM 845 CZ TYR A 526 22.050 17.401 20.371 1.00 0.00 C ATOM 846 OH TYR A 526 23.183 16.726 20.038 1.00 0.00 O ATOM 0 H TYR A 526 18.896 21.566 20.217 1.00 0.00 H new ATOM 0 HA TYR A 526 17.409 19.173 19.608 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.693 20.379 22.103 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.847 18.845 22.133 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.652 17.216 20.056 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.032 20.237 21.997 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.717 15.994 19.406 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.104 19.008 21.367 1.00 0.00 H new ATOM 0 HH TYR A 526 23.964 17.207 20.384 1.00 0.00 H new ATOM 856 N VAL A 527 15.209 19.401 20.762 1.00 0.00 N ATOM 857 CA VAL A 527 13.825 19.462 21.279 1.00 0.00 C ATOM 858 C VAL A 527 13.350 18.054 21.685 1.00 0.00 C ATOM 859 O VAL A 527 13.855 17.066 21.142 1.00 0.00 O ATOM 860 CB VAL A 527 12.839 20.041 20.235 1.00 0.00 C ATOM 861 CG1 VAL A 527 13.085 21.530 19.976 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.846 19.298 18.892 1.00 0.00 C ATOM 0 H VAL A 527 15.402 18.512 20.301 1.00 0.00 H new ATOM 0 HA VAL A 527 13.835 20.124 22.145 1.00 0.00 H new ATOM 0 HB VAL A 527 11.857 19.901 20.688 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.371 21.894 19.237 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.961 22.086 20.905 1.00 0.00 H new ATOM 0 HG13 VAL A 527 14.099 21.671 19.601 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.130 19.763 18.215 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.843 19.347 18.454 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.570 18.256 19.051 1.00 0.00 H new ATOM 872 N PRO A 528 12.386 17.904 22.614 1.00 0.00 N ATOM 873 CA PRO A 528 11.855 16.586 22.966 1.00 0.00 C ATOM 874 C PRO A 528 11.049 15.979 21.803 1.00 0.00 C ATOM 875 O PRO A 528 10.190 16.637 21.216 1.00 0.00 O ATOM 876 CB PRO A 528 11.000 16.814 24.219 1.00 0.00 C ATOM 877 CG PRO A 528 10.598 18.288 24.145 1.00 0.00 C ATOM 878 CD PRO A 528 11.752 18.955 23.400 1.00 0.00 C ATOM 0 HA PRO A 528 12.647 15.864 23.163 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.125 16.164 24.226 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.563 16.601 25.128 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.654 18.417 23.615 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.466 18.715 25.139 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.389 19.757 22.757 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.461 19.401 24.098 1.00 0.00 H new ATOM 886 N TYR A 529 11.282 14.702 21.481 1.00 0.00 N ATOM 887 CA TYR A 529 10.541 13.990 20.424 1.00 0.00 C ATOM 888 C TYR A 529 9.029 13.836 20.700 1.00 0.00 C ATOM 889 O TYR A 529 8.242 13.664 19.768 1.00 0.00 O ATOM 890 CB TYR A 529 11.187 12.621 20.151 1.00 0.00 C ATOM 891 CG TYR A 529 10.745 11.483 21.060 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.933 11.560 22.455 1.00 0.00 C ATOM 893 CD2 TYR A 529 10.114 10.352 20.503 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.481 10.521 23.290 1.00 0.00 C ATOM 895 CE2 TYR A 529 9.670 9.305 21.335 1.00 0.00 C ATOM 896 CZ TYR A 529 9.854 9.387 22.733 1.00 0.00 C ATOM 897 OH TYR A 529 9.433 8.379 23.544 1.00 0.00 O ATOM 0 H TYR A 529 11.988 14.130 21.943 1.00 0.00 H new ATOM 0 HA TYR A 529 10.611 14.617 19.535 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.974 12.340 19.120 1.00 0.00 H new ATOM 0 HB3 TYR A 529 12.268 12.728 20.235 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.426 12.420 22.885 1.00 0.00 H new ATOM 0 HD2 TYR A 529 9.970 10.288 19.435 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.615 10.592 24.359 1.00 0.00 H new ATOM 0 HE2 TYR A 529 9.189 8.440 20.904 1.00 0.00 H new ATOM 0 HH TYR A 529 9.021 7.674 23.002 1.00 0.00 H new ATOM 907 N ASN A 530 8.608 13.934 21.971 1.00 0.00 N ATOM 908 CA ASN A 530 7.215 13.778 22.421 1.00 0.00 C ATOM 909 C ASN A 530 6.224 14.831 21.867 1.00 0.00 C ATOM 910 O ASN A 530 5.010 14.637 21.973 1.00 0.00 O ATOM 911 CB ASN A 530 7.203 13.767 23.964 1.00 0.00 C ATOM 912 CG ASN A 530 7.629 12.433 24.561 1.00 0.00 C ATOM 913 OD1 ASN A 530 7.147 11.372 24.184 1.00 0.00 O ATOM 914 ND2 ASN A 530 8.517 12.440 25.531 1.00 0.00 N ATOM 0 H ASN A 530 9.249 14.131 22.740 1.00 0.00 H new ATOM 0 HA ASN A 530 6.853 12.834 22.013 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.867 14.550 24.331 1.00 0.00 H new ATOM 0 HB3 ASN A 530 6.200 14.010 24.314 1.00 0.00 H new ATOM 0 HD21 ASN A 530 8.803 11.563 25.967 1.00 0.00 H new ATOM 0 HD22 ASN A 530 8.920 13.322 25.847 1.00 0.00 H new ATOM 921 N ILE A 531 6.716 15.920 21.256 1.00 0.00 N ATOM 922 CA ILE A 531 5.914 16.999 20.633 1.00 0.00 C ATOM 923 C ILE A 531 6.110 17.085 19.107 1.00 0.00 C ATOM 924 O ILE A 531 5.765 18.089 18.481 1.00 0.00 O ATOM 925 CB ILE A 531 6.178 18.357 21.323 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.663 18.762 21.202 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.715 18.304 22.789 1.00 0.00 C ATOM 928 CD1 ILE A 531 7.962 20.198 21.624 1.00 0.00 C ATOM 0 H ILE A 531 7.719 16.085 21.176 1.00 0.00 H new ATOM 0 HA ILE A 531 4.866 16.742 20.787 1.00 0.00 H new ATOM 0 HB ILE A 531 5.598 19.128 20.816 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.262 18.085 21.811 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.981 18.626 20.168 1.00 0.00 H new ATOM 0 HG21 ILE A 531 5.906 19.266 23.266 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.648 18.086 22.826 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.263 17.523 23.316 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.027 20.397 21.507 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.393 20.887 20.999 1.00 0.00 H new ATOM 0 HD13 ILE A 531 7.679 20.337 22.667 1.00 0.00 H new ATOM 940 N LEU A 532 6.654 16.030 18.499 1.00 0.00 N ATOM 941 CA LEU A 532 6.832 15.884 17.056 1.00 0.00 C ATOM 942 C LEU A 532 5.923 14.758 16.536 1.00 0.00 C ATOM 943 O LEU A 532 5.733 13.734 17.199 1.00 0.00 O ATOM 944 CB LEU A 532 8.314 15.583 16.747 1.00 0.00 C ATOM 945 CG LEU A 532 9.331 16.623 17.262 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.751 16.184 16.906 1.00 0.00 C ATOM 947 CD2 LEU A 532 9.099 18.011 16.662 1.00 0.00 C ATOM 0 H LEU A 532 6.996 15.223 19.020 1.00 0.00 H new ATOM 0 HA LEU A 532 6.555 16.811 16.553 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.566 14.613 17.176 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.430 15.493 15.667 1.00 0.00 H new ATOM 0 HG LEU A 532 9.198 16.684 18.342 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.463 16.923 17.273 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.960 15.219 17.367 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.844 16.096 15.824 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.840 18.706 17.056 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.191 17.959 15.577 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.100 18.359 16.925 1.00 0.00 H new ATOM 959 N THR A 533 5.389 14.933 15.329 1.00 0.00 N ATOM 960 CA THR A 533 4.536 13.958 14.624 1.00 0.00 C ATOM 961 C THR A 533 4.997 13.803 13.170 1.00 0.00 C ATOM 962 O THR A 533 5.675 14.691 12.643 1.00 0.00 O ATOM 963 CB THR A 533 3.043 14.361 14.676 1.00 0.00 C ATOM 964 OG1 THR A 533 2.838 15.742 14.459 1.00 0.00 O ATOM 965 CG2 THR A 533 2.418 14.015 16.026 1.00 0.00 C ATOM 0 H THR A 533 5.539 15.785 14.789 1.00 0.00 H new ATOM 0 HA THR A 533 4.636 13.000 15.134 1.00 0.00 H new ATOM 0 HB THR A 533 2.570 13.796 13.873 1.00 0.00 H new ATOM 0 HG1 THR A 533 1.879 15.941 14.501 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.369 14.312 16.028 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.492 12.941 16.197 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.946 14.545 16.818 1.00 0.00 H new ATOM 973 N PRO A 534 4.672 12.684 12.490 1.00 0.00 N ATOM 974 CA PRO A 534 5.027 12.502 11.082 1.00 0.00 C ATOM 975 C PRO A 534 4.327 13.534 10.181 1.00 0.00 C ATOM 976 O PRO A 534 3.368 14.199 10.587 1.00 0.00 O ATOM 977 CB PRO A 534 4.632 11.058 10.744 1.00 0.00 C ATOM 978 CG PRO A 534 3.509 10.751 11.733 1.00 0.00 C ATOM 979 CD PRO A 534 3.932 11.525 12.979 1.00 0.00 C ATOM 0 HA PRO A 534 6.091 12.664 10.908 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.293 10.966 9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.472 10.374 10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.540 11.083 11.360 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.425 9.682 11.930 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.064 11.832 13.563 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.553 10.910 13.630 1.00 0.00 H new ATOM 987 N TYR A 535 4.778 13.627 8.928 1.00 0.00 N ATOM 988 CA TYR A 535 4.220 14.522 7.907 1.00 0.00 C ATOM 989 C TYR A 535 3.682 13.723 6.696 1.00 0.00 C ATOM 990 O TYR A 535 4.306 13.715 5.628 1.00 0.00 O ATOM 991 CB TYR A 535 5.263 15.603 7.563 1.00 0.00 C ATOM 992 CG TYR A 535 4.732 16.761 6.732 1.00 0.00 C ATOM 993 CD1 TYR A 535 3.642 17.524 7.200 1.00 0.00 C ATOM 994 CD2 TYR A 535 5.342 17.093 5.506 1.00 0.00 C ATOM 995 CE1 TYR A 535 3.161 18.611 6.445 1.00 0.00 C ATOM 996 CE2 TYR A 535 4.863 18.180 4.747 1.00 0.00 C ATOM 997 CZ TYR A 535 3.770 18.942 5.216 1.00 0.00 C ATOM 998 OH TYR A 535 3.301 19.993 4.490 1.00 0.00 O ATOM 0 H TYR A 535 5.560 13.069 8.585 1.00 0.00 H new ATOM 0 HA TYR A 535 3.344 15.046 8.290 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.674 15.999 8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 535 6.086 15.135 7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 535 3.175 17.274 8.141 1.00 0.00 H new ATOM 0 HD2 TYR A 535 6.179 16.513 5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 535 2.325 19.192 6.807 1.00 0.00 H new ATOM 0 HE2 TYR A 535 5.332 18.430 3.807 1.00 0.00 H new ATOM 0 HH TYR A 535 3.831 20.087 3.671 1.00 0.00 H new ATOM 1008 N PRO A 536 2.562 12.981 6.863 1.00 0.00 N ATOM 1009 CA PRO A 536 1.966 12.133 5.828 1.00 0.00 C ATOM 1010 C PRO A 536 1.310 12.971 4.710 1.00 0.00 C ATOM 1011 O PRO A 536 0.132 13.340 4.786 1.00 0.00 O ATOM 1012 CB PRO A 536 0.971 11.228 6.566 1.00 0.00 C ATOM 1013 CG PRO A 536 0.517 12.087 7.744 1.00 0.00 C ATOM 1014 CD PRO A 536 1.777 12.877 8.091 1.00 0.00 C ATOM 0 HA PRO A 536 2.715 11.536 5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 536 0.134 10.947 5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 536 1.441 10.303 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 536 -0.310 12.743 7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 536 0.178 11.478 8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 536 1.521 13.866 8.471 1.00 0.00 H new ATOM 0 HD3 PRO A 536 2.346 12.373 8.872 1.00 0.00 H new ATOM 1022 N ALA A 537 2.082 13.277 3.666 1.00 0.00 N ATOM 1023 CA ALA A 537 1.668 14.075 2.513 1.00 0.00 C ATOM 1024 C ALA A 537 2.282 13.510 1.217 1.00 0.00 C ATOM 1025 O ALA A 537 3.500 13.562 1.017 1.00 0.00 O ATOM 1026 CB ALA A 537 2.072 15.538 2.765 1.00 0.00 C ATOM 0 H ALA A 537 3.050 12.963 3.599 1.00 0.00 H new ATOM 0 HA ALA A 537 0.586 14.031 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 537 1.771 16.150 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 537 1.579 15.902 3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 537 3.153 15.600 2.893 1.00 0.00 H new ATOM 1032 N ALA A 538 1.439 12.936 0.351 1.00 0.00 N ATOM 1033 CA ALA A 538 1.871 12.329 -0.914 1.00 0.00 C ATOM 1034 C ALA A 538 2.370 13.364 -1.945 1.00 0.00 C ATOM 1035 O ALA A 538 3.309 13.088 -2.700 1.00 0.00 O ATOM 1036 CB ALA A 538 0.700 11.510 -1.476 1.00 0.00 C ATOM 0 H ALA A 538 0.433 12.879 0.508 1.00 0.00 H new ATOM 0 HA ALA A 538 2.728 11.686 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 538 0.998 11.049 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 538 0.424 10.734 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -0.154 12.166 -1.647 1.00 0.00 H new ATOM 1042 N ALA A 539 1.767 14.557 -1.958 1.00 0.00 N ATOM 1043 CA ALA A 539 2.209 15.712 -2.742 1.00 0.00 C ATOM 1044 C ALA A 539 3.216 16.589 -1.966 1.00 0.00 C ATOM 1045 O ALA A 539 3.163 16.675 -0.733 1.00 0.00 O ATOM 1046 CB ALA A 539 0.963 16.522 -3.129 1.00 0.00 C ATOM 0 H ALA A 539 0.932 14.750 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 539 2.732 15.365 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 539 1.262 17.391 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 539 0.293 15.898 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 539 0.449 16.853 -2.226 1.00 0.00 H new ATOM 1052 N SER A 540 4.112 17.268 -2.699 1.00 0.00 N ATOM 1053 CA SER A 540 5.069 18.259 -2.164 1.00 0.00 C ATOM 1054 C SER A 540 4.376 19.556 -1.725 1.00 0.00 C ATOM 1055 O SER A 540 3.652 20.164 -2.548 1.00 0.00 O ATOM 1056 CB SER A 540 6.152 18.534 -3.210 1.00 0.00 C ATOM 1057 OG SER A 540 7.215 19.263 -2.622 1.00 0.00 O ATOM 0 H SER A 540 4.196 17.142 -3.708 1.00 0.00 H new ATOM 0 HA SER A 540 5.530 17.841 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 540 6.525 17.594 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 540 5.731 19.096 -4.043 1.00 0.00 H new ATOM 0 HG SER A 540 7.906 19.435 -3.296 1.00 0.00 H new TER 1063 SER A 540