USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 522 MET CE :methyl 174:sc= -0.0843 (180deg=-0.198) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 526 GLN : amide:sc= 0.614 K(o=0.61,f=-0.51) USER MOD Single : A 528 GLN : amide:sc= 0.722 K(o=0.72,f=-0.033) USER MOD Single : A 529 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 531 TYR OH : rot -159:sc= 1.13 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot -35:sc= 0.104 USER MOD Single : A 536 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 542 LYS NZ :NH3+ -136:sc= 1.27 (180deg=0.253) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 564 MET CE :methyl 174:sc= -0.581 (180deg=-0.666) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 SER OG : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 573 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 574 HIS : no HD1:sc=-0.00909 X(o=-0.0091,f=0) USER MOD Single : A 575 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0231) USER MOD Single : A 579 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.075) USER MOD Single : A 580 CYS SG : rot 88:sc= 0.171 USER MOD Single : A 587 ASN : amide:sc= 0.597 K(o=0.6,f=-5!) USER MOD Single : A 589 THR OG1 : rot -4:sc= 0.74 USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 517 28.002 15.181 27.490 1.00 0.00 N ATOM 66 CA LEU A 517 27.742 16.568 27.892 1.00 0.00 C ATOM 67 C LEU A 517 26.240 16.905 27.996 1.00 0.00 C ATOM 68 O LEU A 517 25.400 16.207 27.413 1.00 0.00 O ATOM 69 CB LEU A 517 28.449 17.492 26.885 1.00 0.00 C ATOM 70 CG LEU A 517 29.977 17.576 27.061 1.00 0.00 C ATOM 71 CD1 LEU A 517 30.472 18.750 26.233 1.00 0.00 C ATOM 72 CD2 LEU A 517 30.439 17.878 28.486 1.00 0.00 C ATOM 0 HA LEU A 517 28.135 16.716 28.898 1.00 0.00 H new ATOM 0 HB2 LEU A 517 28.231 17.144 25.876 1.00 0.00 H new ATOM 0 HB3 LEU A 517 28.030 18.494 26.974 1.00 0.00 H new ATOM 0 HG LEU A 517 30.365 16.600 26.770 1.00 0.00 H new ATOM 0 HD11 LEU A 517 31.554 18.838 26.336 1.00 0.00 H new ATOM 0 HD12 LEU A 517 30.219 18.588 25.185 1.00 0.00 H new ATOM 0 HD13 LEU A 517 29.999 19.667 26.583 1.00 0.00 H new ATOM 0 HD21 LEU A 517 31.528 17.918 28.515 1.00 0.00 H new ATOM 0 HD22 LEU A 517 30.032 18.838 28.805 1.00 0.00 H new ATOM 0 HD23 LEU A 517 30.087 17.094 29.156 1.00 0.00 H new ATOM 84 N PRO A 518 25.890 17.984 28.727 1.00 0.00 N ATOM 85 CA PRO A 518 24.509 18.356 29.021 1.00 0.00 C ATOM 86 C PRO A 518 23.693 18.780 27.788 1.00 0.00 C ATOM 87 O PRO A 518 24.255 19.161 26.752 1.00 0.00 O ATOM 88 CB PRO A 518 24.582 19.451 30.095 1.00 0.00 C ATOM 89 CG PRO A 518 25.980 20.036 29.948 1.00 0.00 C ATOM 90 CD PRO A 518 26.808 18.867 29.435 1.00 0.00 C ATOM 0 HA PRO A 518 23.960 17.486 29.381 1.00 0.00 H new ATOM 0 HB2 PRO A 518 23.816 20.210 29.940 1.00 0.00 H new ATOM 0 HB3 PRO A 518 24.427 19.040 31.092 1.00 0.00 H new ATOM 0 HG2 PRO A 518 25.993 20.873 29.249 1.00 0.00 H new ATOM 0 HG3 PRO A 518 26.360 20.409 30.899 1.00 0.00 H new ATOM 0 HD2 PRO A 518 27.600 19.215 28.772 1.00 0.00 H new ATOM 0 HD3 PRO A 518 27.291 18.343 30.260 1.00 0.00 H new ATOM 98 N PRO A 519 22.352 18.728 27.886 1.00 0.00 N ATOM 99 CA PRO A 519 21.454 19.094 26.798 1.00 0.00 C ATOM 100 C PRO A 519 21.539 20.603 26.546 1.00 0.00 C ATOM 101 O PRO A 519 21.474 21.419 27.473 1.00 0.00 O ATOM 102 CB PRO A 519 20.063 18.636 27.242 1.00 0.00 C ATOM 103 CG PRO A 519 20.136 18.764 28.762 1.00 0.00 C ATOM 104 CD PRO A 519 21.590 18.429 29.089 1.00 0.00 C ATOM 0 HA PRO A 519 21.712 18.622 25.850 1.00 0.00 H new ATOM 0 HB2 PRO A 519 19.277 19.262 26.820 1.00 0.00 H new ATOM 0 HB3 PRO A 519 19.856 17.612 26.931 1.00 0.00 H new ATOM 0 HG2 PRO A 519 19.874 19.769 29.091 1.00 0.00 H new ATOM 0 HG3 PRO A 519 19.447 18.077 29.254 1.00 0.00 H new ATOM 0 HD2 PRO A 519 21.946 19.020 29.933 1.00 0.00 H new ATOM 0 HD3 PRO A 519 21.696 17.380 29.367 1.00 0.00 H new ATOM 112 N GLY A 520 21.725 20.971 25.281 1.00 0.00 N ATOM 113 CA GLY A 520 21.927 22.353 24.854 1.00 0.00 C ATOM 114 C GLY A 520 23.342 22.914 25.069 1.00 0.00 C ATOM 115 O GLY A 520 23.533 24.082 24.730 1.00 0.00 O ATOM 0 H GLY A 520 21.740 20.304 24.509 1.00 0.00 H new ATOM 0 HA2 GLY A 520 21.684 22.426 23.794 1.00 0.00 H new ATOM 0 HA3 GLY A 520 21.219 22.987 25.388 1.00 0.00 H new ATOM 119 N PHE A 521 24.316 22.144 25.596 1.00 0.00 N ATOM 120 CA PHE A 521 25.695 22.597 25.842 1.00 0.00 C ATOM 121 C PHE A 521 26.321 23.569 24.822 1.00 0.00 C ATOM 122 O PHE A 521 26.239 23.340 23.610 1.00 0.00 O ATOM 123 CB PHE A 521 26.604 21.392 26.144 1.00 0.00 C ATOM 124 CG PHE A 521 28.095 21.678 26.174 1.00 0.00 C ATOM 125 CD1 PHE A 521 28.844 21.691 24.980 1.00 0.00 C ATOM 126 CD2 PHE A 521 28.737 21.919 27.404 1.00 0.00 C ATOM 127 CE1 PHE A 521 30.228 21.934 25.017 1.00 0.00 C ATOM 128 CE2 PHE A 521 30.122 22.162 27.440 1.00 0.00 C ATOM 129 CZ PHE A 521 30.869 22.153 26.248 1.00 0.00 C ATOM 0 H PHE A 521 24.160 21.173 25.866 1.00 0.00 H new ATOM 0 HA PHE A 521 25.612 23.236 26.721 1.00 0.00 H new ATOM 0 HB2 PHE A 521 26.314 20.975 27.109 1.00 0.00 H new ATOM 0 HB3 PHE A 521 26.416 20.623 25.395 1.00 0.00 H new ATOM 0 HD1 PHE A 521 28.353 21.514 24.034 1.00 0.00 H new ATOM 0 HD2 PHE A 521 28.165 21.917 28.320 1.00 0.00 H new ATOM 0 HE1 PHE A 521 30.798 21.952 24.100 1.00 0.00 H new ATOM 0 HE2 PHE A 521 30.612 22.355 28.383 1.00 0.00 H new ATOM 0 HZ PHE A 521 31.936 22.315 26.279 1.00 0.00 H new ATOM 139 N MET A 522 26.954 24.643 25.306 1.00 0.00 N ATOM 140 CA MET A 522 27.540 25.683 24.448 1.00 0.00 C ATOM 141 C MET A 522 29.057 25.517 24.301 1.00 0.00 C ATOM 142 O MET A 522 29.563 25.415 23.183 1.00 0.00 O ATOM 143 CB MET A 522 27.179 27.086 24.968 1.00 0.00 C ATOM 144 CG MET A 522 25.668 27.262 25.145 1.00 0.00 C ATOM 145 SD MET A 522 25.012 28.954 25.041 1.00 0.00 S ATOM 146 CE MET A 522 25.816 29.758 26.448 1.00 0.00 C ATOM 0 H MET A 522 27.075 24.817 26.304 1.00 0.00 H new ATOM 0 HA MET A 522 27.110 25.568 23.453 1.00 0.00 H new ATOM 0 HB2 MET A 522 27.678 27.259 25.922 1.00 0.00 H new ATOM 0 HB3 MET A 522 27.552 27.837 24.272 1.00 0.00 H new ATOM 0 HG2 MET A 522 25.167 26.658 24.389 1.00 0.00 H new ATOM 0 HG3 MET A 522 25.391 26.851 26.116 1.00 0.00 H new ATOM 0 HE1 MET A 522 25.586 30.823 26.438 1.00 0.00 H new ATOM 0 HE2 MET A 522 25.452 29.317 27.376 1.00 0.00 H new ATOM 0 HE3 MET A 522 26.895 29.619 26.379 1.00 0.00 H new ATOM 156 N PHE A 523 29.772 25.526 25.427 1.00 0.00 N ATOM 157 CA PHE A 523 31.234 25.524 25.542 1.00 0.00 C ATOM 158 C PHE A 523 31.709 25.210 26.965 1.00 0.00 C ATOM 159 O PHE A 523 30.890 25.099 27.870 1.00 0.00 O ATOM 160 CB PHE A 523 31.840 26.830 24.993 1.00 0.00 C ATOM 161 CG PHE A 523 31.200 28.127 25.461 1.00 0.00 C ATOM 162 CD1 PHE A 523 31.714 28.787 26.591 1.00 0.00 C ATOM 163 CD2 PHE A 523 30.126 28.703 24.755 1.00 0.00 C ATOM 164 CE1 PHE A 523 31.179 30.022 26.999 1.00 0.00 C ATOM 165 CE2 PHE A 523 29.583 29.931 25.171 1.00 0.00 C ATOM 166 CZ PHE A 523 30.121 30.602 26.280 1.00 0.00 C ATOM 0 H PHE A 523 29.319 25.535 26.341 1.00 0.00 H new ATOM 0 HA PHE A 523 31.605 24.711 24.918 1.00 0.00 H new ATOM 0 HB2 PHE A 523 32.896 26.855 25.262 1.00 0.00 H new ATOM 0 HB3 PHE A 523 31.789 26.798 23.905 1.00 0.00 H new ATOM 0 HD1 PHE A 523 32.525 28.343 27.149 1.00 0.00 H new ATOM 0 HD2 PHE A 523 29.718 28.199 23.891 1.00 0.00 H new ATOM 0 HE1 PHE A 523 31.582 30.525 27.866 1.00 0.00 H new ATOM 0 HE2 PHE A 523 28.749 30.360 24.635 1.00 0.00 H new ATOM 0 HZ PHE A 523 29.723 31.560 26.579 1.00 0.00 H new ATOM 176 N LYS A 524 33.007 25.073 27.218 1.00 0.00 N ATOM 177 CA LYS A 524 33.559 25.014 28.586 1.00 0.00 C ATOM 178 C LYS A 524 34.308 26.298 28.964 1.00 0.00 C ATOM 179 O LYS A 524 34.764 27.068 28.115 1.00 0.00 O ATOM 180 CB LYS A 524 34.471 23.795 28.714 1.00 0.00 C ATOM 181 CG LYS A 524 33.743 22.464 28.823 1.00 0.00 C ATOM 182 CD LYS A 524 34.750 21.306 28.751 1.00 0.00 C ATOM 183 CE LYS A 524 34.018 19.997 28.459 1.00 0.00 C ATOM 184 NZ LYS A 524 34.896 18.994 27.808 1.00 0.00 N ATOM 0 H LYS A 524 33.714 24.999 26.487 1.00 0.00 H new ATOM 0 HA LYS A 524 32.727 24.921 29.284 1.00 0.00 H new ATOM 0 HB2 LYS A 524 35.133 23.761 27.849 1.00 0.00 H new ATOM 0 HB3 LYS A 524 35.102 23.921 29.594 1.00 0.00 H new ATOM 0 HG2 LYS A 524 33.190 22.418 29.761 1.00 0.00 H new ATOM 0 HG3 LYS A 524 33.013 22.373 28.019 1.00 0.00 H new ATOM 0 HD2 LYS A 524 35.487 21.502 27.973 1.00 0.00 H new ATOM 0 HD3 LYS A 524 35.294 21.226 29.692 1.00 0.00 H new ATOM 0 HE2 LYS A 524 33.628 19.586 29.390 1.00 0.00 H new ATOM 0 HE3 LYS A 524 33.161 20.198 27.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 34.356 18.123 27.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 35.248 19.374 26.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 35.701 18.780 28.431 1.00 0.00 H new ATOM 198 N VAL A 525 34.512 26.463 30.264 1.00 0.00 N ATOM 199 CA VAL A 525 35.458 27.395 30.899 1.00 0.00 C ATOM 200 C VAL A 525 36.249 26.666 31.994 1.00 0.00 C ATOM 201 O VAL A 525 35.801 25.621 32.470 1.00 0.00 O ATOM 202 CB VAL A 525 34.750 28.653 31.438 1.00 0.00 C ATOM 203 CG1 VAL A 525 33.816 29.304 30.412 1.00 0.00 C ATOM 204 CG2 VAL A 525 33.919 28.269 32.659 1.00 0.00 C ATOM 0 H VAL A 525 33.993 25.920 30.954 1.00 0.00 H new ATOM 0 HA VAL A 525 36.161 27.744 30.142 1.00 0.00 H new ATOM 0 HB VAL A 525 35.529 29.375 31.684 1.00 0.00 H new ATOM 0 HG11 VAL A 525 33.348 30.184 30.853 1.00 0.00 H new ATOM 0 HG12 VAL A 525 34.390 29.599 29.534 1.00 0.00 H new ATOM 0 HG13 VAL A 525 33.045 28.592 30.119 1.00 0.00 H new ATOM 0 HG21 VAL A 525 33.414 29.153 33.048 1.00 0.00 H new ATOM 0 HG22 VAL A 525 33.177 27.523 32.374 1.00 0.00 H new ATOM 0 HG23 VAL A 525 34.572 27.856 33.428 1.00 0.00 H new ATOM 214 N GLN A 526 37.381 27.212 32.443 1.00 0.00 N ATOM 215 CA GLN A 526 38.092 26.724 33.636 1.00 0.00 C ATOM 216 C GLN A 526 38.402 27.858 34.622 1.00 0.00 C ATOM 217 O GLN A 526 38.936 28.894 34.226 1.00 0.00 O ATOM 218 CB GLN A 526 39.363 25.969 33.216 1.00 0.00 C ATOM 219 CG GLN A 526 39.921 25.119 34.371 1.00 0.00 C ATOM 220 CD GLN A 526 40.936 24.070 33.922 1.00 0.00 C ATOM 221 OE1 GLN A 526 41.360 23.993 32.774 1.00 0.00 O ATOM 222 NE2 GLN A 526 41.356 23.201 34.812 1.00 0.00 N ATOM 0 H GLN A 526 37.835 28.006 31.992 1.00 0.00 H new ATOM 0 HA GLN A 526 37.438 26.030 34.164 1.00 0.00 H new ATOM 0 HB2 GLN A 526 39.141 25.326 32.364 1.00 0.00 H new ATOM 0 HB3 GLN A 526 40.120 26.682 32.889 1.00 0.00 H new ATOM 0 HG2 GLN A 526 40.390 25.777 35.102 1.00 0.00 H new ATOM 0 HG3 GLN A 526 39.094 24.620 34.876 1.00 0.00 H new ATOM 0 HE21 GLN A 526 41.015 23.249 35.772 1.00 0.00 H new ATOM 0 HE22 GLN A 526 42.024 22.478 34.543 1.00 0.00 H new ATOM 231 N ALA A 527 38.085 27.693 35.909 1.00 0.00 N ATOM 232 CA ALA A 527 38.321 28.699 36.949 1.00 0.00 C ATOM 233 C ALA A 527 39.813 29.024 37.090 1.00 0.00 C ATOM 234 O ALA A 527 40.638 28.133 37.254 1.00 0.00 O ATOM 235 CB ALA A 527 37.690 28.217 38.262 1.00 0.00 C ATOM 0 H ALA A 527 37.649 26.842 36.264 1.00 0.00 H new ATOM 0 HA ALA A 527 37.844 29.637 36.665 1.00 0.00 H new ATOM 0 HB1 ALA A 527 37.861 28.959 39.042 1.00 0.00 H new ATOM 0 HB2 ALA A 527 36.618 28.078 38.121 1.00 0.00 H new ATOM 0 HB3 ALA A 527 38.142 27.270 38.557 1.00 0.00 H new ATOM 241 N GLN A 528 40.158 30.306 37.026 1.00 0.00 N ATOM 242 CA GLN A 528 41.498 30.839 37.302 1.00 0.00 C ATOM 243 C GLN A 528 41.676 31.208 38.782 1.00 0.00 C ATOM 244 O GLN A 528 42.796 31.210 39.292 1.00 0.00 O ATOM 245 CB GLN A 528 41.727 32.089 36.433 1.00 0.00 C ATOM 246 CG GLN A 528 41.550 31.877 34.925 1.00 0.00 C ATOM 247 CD GLN A 528 42.354 30.682 34.440 1.00 0.00 C ATOM 248 OE1 GLN A 528 43.571 30.720 34.321 1.00 0.00 O ATOM 249 NE2 GLN A 528 41.715 29.552 34.274 1.00 0.00 N ATOM 0 H GLN A 528 39.490 31.034 36.771 1.00 0.00 H new ATOM 0 HA GLN A 528 42.227 30.064 37.064 1.00 0.00 H new ATOM 0 HB2 GLN A 528 41.038 32.869 36.757 1.00 0.00 H new ATOM 0 HB3 GLN A 528 42.736 32.459 36.616 1.00 0.00 H new ATOM 0 HG2 GLN A 528 40.495 31.725 34.698 1.00 0.00 H new ATOM 0 HG3 GLN A 528 41.866 32.772 34.390 1.00 0.00 H new ATOM 0 HE21 GLN A 528 40.700 29.521 34.373 1.00 0.00 H new ATOM 0 HE22 GLN A 528 42.232 28.703 34.045 1.00 0.00 H new ATOM 258 N HIS A 529 40.561 31.507 39.452 1.00 0.00 N ATOM 259 CA HIS A 529 40.467 32.024 40.814 1.00 0.00 C ATOM 260 C HIS A 529 39.256 31.405 41.537 1.00 0.00 C ATOM 261 O HIS A 529 38.368 30.834 40.900 1.00 0.00 O ATOM 262 CB HIS A 529 40.377 33.559 40.752 1.00 0.00 C ATOM 263 CG HIS A 529 41.554 34.199 40.052 1.00 0.00 C ATOM 264 ND1 HIS A 529 42.849 34.231 40.513 1.00 0.00 N ATOM 265 CD2 HIS A 529 41.549 34.831 38.835 1.00 0.00 C ATOM 266 CE1 HIS A 529 43.604 34.858 39.596 1.00 0.00 C ATOM 267 NE2 HIS A 529 42.857 35.246 38.543 1.00 0.00 N ATOM 0 H HIS A 529 39.641 31.386 39.028 1.00 0.00 H new ATOM 0 HA HIS A 529 41.353 31.750 41.386 1.00 0.00 H new ATOM 0 HB2 HIS A 529 39.459 33.842 40.237 1.00 0.00 H new ATOM 0 HB3 HIS A 529 40.308 33.953 41.766 1.00 0.00 H new ATOM 0 HD2 HIS A 529 40.684 34.984 38.207 1.00 0.00 H new ATOM 0 HE1 HIS A 529 44.666 35.028 39.690 1.00 0.00 H new ATOM 0 HE2 HIS A 529 43.176 35.738 37.709 1.00 0.00 H new ATOM 275 N ASP A 530 39.211 31.505 42.865 1.00 0.00 N ATOM 276 CA ASP A 530 38.101 31.014 43.682 1.00 0.00 C ATOM 277 C ASP A 530 36.918 31.992 43.680 1.00 0.00 C ATOM 278 O ASP A 530 37.126 33.195 43.864 1.00 0.00 O ATOM 279 CB ASP A 530 38.525 30.785 45.141 1.00 0.00 C ATOM 280 CG ASP A 530 39.570 29.713 45.434 1.00 0.00 C ATOM 281 OD1 ASP A 530 39.842 29.508 46.639 1.00 0.00 O ATOM 282 OD2 ASP A 530 40.077 29.014 44.532 1.00 0.00 O ATOM 0 H ASP A 530 39.956 31.936 43.412 1.00 0.00 H new ATOM 0 HA ASP A 530 37.798 30.068 43.234 1.00 0.00 H new ATOM 0 HB2 ASP A 530 38.902 31.731 45.529 1.00 0.00 H new ATOM 0 HB3 ASP A 530 37.630 30.540 45.712 1.00 0.00 H new ATOM 287 N TYR A 531 35.686 31.490 43.564 1.00 0.00 N ATOM 288 CA TYR A 531 34.462 32.287 43.648 1.00 0.00 C ATOM 289 C TYR A 531 33.372 31.668 44.532 1.00 0.00 C ATOM 290 O TYR A 531 32.893 30.564 44.251 1.00 0.00 O ATOM 291 CB TYR A 531 33.927 32.626 42.252 1.00 0.00 C ATOM 292 CG TYR A 531 32.624 33.416 42.330 1.00 0.00 C ATOM 293 CD1 TYR A 531 32.669 34.771 42.714 1.00 0.00 C ATOM 294 CD2 TYR A 531 31.375 32.774 42.183 1.00 0.00 C ATOM 295 CE1 TYR A 531 31.475 35.466 42.990 1.00 0.00 C ATOM 296 CE2 TYR A 531 30.176 33.470 42.458 1.00 0.00 C ATOM 297 CZ TYR A 531 30.229 34.813 42.892 1.00 0.00 C ATOM 298 OH TYR A 531 29.099 35.492 43.228 1.00 0.00 O ATOM 0 H TYR A 531 35.509 30.498 43.406 1.00 0.00 H new ATOM 0 HA TYR A 531 34.746 33.213 44.147 1.00 0.00 H new ATOM 0 HB2 TYR A 531 34.672 33.204 41.706 1.00 0.00 H new ATOM 0 HB3 TYR A 531 33.763 31.706 41.691 1.00 0.00 H new ATOM 0 HD1 TYR A 531 33.619 35.277 42.797 1.00 0.00 H new ATOM 0 HD2 TYR A 531 31.336 31.745 41.858 1.00 0.00 H new ATOM 0 HE1 TYR A 531 31.514 36.506 43.279 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.223 32.977 42.337 1.00 0.00 H new ATOM 0 HH TYR A 531 28.383 34.855 43.434 1.00 0.00 H new ATOM 308 N THR A 532 32.942 32.389 45.569 1.00 0.00 N ATOM 309 CA THR A 532 31.816 31.993 46.424 1.00 0.00 C ATOM 310 C THR A 532 30.443 32.458 45.950 1.00 0.00 C ATOM 311 O THR A 532 30.169 33.657 45.920 1.00 0.00 O ATOM 312 CB THR A 532 32.028 32.291 47.917 1.00 0.00 C ATOM 313 OG1 THR A 532 33.392 32.260 48.273 1.00 0.00 O ATOM 314 CG2 THR A 532 31.293 31.291 48.810 1.00 0.00 C ATOM 0 H THR A 532 33.369 33.274 45.844 1.00 0.00 H new ATOM 0 HA THR A 532 31.810 30.909 46.314 1.00 0.00 H new ATOM 0 HB THR A 532 31.627 33.292 48.072 1.00 0.00 H new ATOM 0 HG1 THR A 532 33.485 32.456 49.229 1.00 0.00 H new ATOM 0 HG21 THR A 532 31.470 31.539 49.857 1.00 0.00 H new ATOM 0 HG22 THR A 532 30.224 31.335 48.603 1.00 0.00 H new ATOM 0 HG23 THR A 532 31.660 30.285 48.608 1.00 0.00 H new ATOM 322 N ALA A 533 29.549 31.523 45.629 1.00 0.00 N ATOM 323 CA ALA A 533 28.153 31.831 45.341 1.00 0.00 C ATOM 324 C ALA A 533 27.427 32.319 46.605 1.00 0.00 C ATOM 325 O ALA A 533 27.395 31.614 47.617 1.00 0.00 O ATOM 326 CB ALA A 533 27.509 30.574 44.748 1.00 0.00 C ATOM 0 H ALA A 533 29.775 30.531 45.562 1.00 0.00 H new ATOM 0 HA ALA A 533 28.079 32.645 44.620 1.00 0.00 H new ATOM 0 HB1 ALA A 533 26.462 30.774 44.522 1.00 0.00 H new ATOM 0 HB2 ALA A 533 28.031 30.295 43.833 1.00 0.00 H new ATOM 0 HB3 ALA A 533 27.575 29.757 45.467 1.00 0.00 H new ATOM 332 N THR A 534 26.841 33.513 46.523 1.00 0.00 N ATOM 333 CA THR A 534 26.135 34.222 47.607 1.00 0.00 C ATOM 334 C THR A 534 24.631 34.437 47.348 1.00 0.00 C ATOM 335 O THR A 534 23.897 34.917 48.217 1.00 0.00 O ATOM 336 CB THR A 534 26.919 35.490 47.991 1.00 0.00 C ATOM 337 OG1 THR A 534 26.496 36.013 49.235 1.00 0.00 O ATOM 338 CG2 THR A 534 26.782 36.593 46.945 1.00 0.00 C ATOM 0 H THR A 534 26.842 34.047 45.654 1.00 0.00 H new ATOM 0 HA THR A 534 26.119 33.575 48.484 1.00 0.00 H new ATOM 0 HB THR A 534 27.961 35.178 48.055 1.00 0.00 H new ATOM 0 HG1 THR A 534 25.533 35.867 49.341 1.00 0.00 H new ATOM 0 HG21 THR A 534 27.352 37.467 47.261 1.00 0.00 H new ATOM 0 HG22 THR A 534 27.164 36.237 45.988 1.00 0.00 H new ATOM 0 HG23 THR A 534 25.732 36.865 46.838 1.00 0.00 H new ATOM 346 N ASP A 535 24.149 34.007 46.180 1.00 0.00 N ATOM 347 CA ASP A 535 22.747 33.671 45.903 1.00 0.00 C ATOM 348 C ASP A 535 22.479 32.190 45.606 1.00 0.00 C ATOM 349 O ASP A 535 23.355 31.473 45.114 1.00 0.00 O ATOM 350 CB ASP A 535 22.137 34.578 44.818 1.00 0.00 C ATOM 351 CG ASP A 535 21.654 35.950 45.290 1.00 0.00 C ATOM 352 OD1 ASP A 535 21.218 36.097 46.464 1.00 0.00 O ATOM 353 OD2 ASP A 535 21.664 36.878 44.452 1.00 0.00 O ATOM 0 H ASP A 535 24.749 33.877 45.365 1.00 0.00 H new ATOM 0 HA ASP A 535 22.236 33.867 46.846 1.00 0.00 H new ATOM 0 HB2 ASP A 535 22.880 34.726 44.035 1.00 0.00 H new ATOM 0 HB3 ASP A 535 21.296 34.054 44.364 1.00 0.00 H new ATOM 358 N THR A 536 21.240 31.739 45.820 1.00 0.00 N ATOM 359 CA THR A 536 20.784 30.404 45.394 1.00 0.00 C ATOM 360 C THR A 536 20.888 30.151 43.873 1.00 0.00 C ATOM 361 O THR A 536 21.180 29.034 43.442 1.00 0.00 O ATOM 362 CB THR A 536 19.398 30.110 45.990 1.00 0.00 C ATOM 363 OG1 THR A 536 19.098 28.741 45.874 1.00 0.00 O ATOM 364 CG2 THR A 536 18.268 30.890 45.318 1.00 0.00 C ATOM 0 H THR A 536 20.521 32.286 46.293 1.00 0.00 H new ATOM 0 HA THR A 536 21.481 29.672 45.802 1.00 0.00 H new ATOM 0 HB THR A 536 19.456 30.422 47.033 1.00 0.00 H new ATOM 0 HG1 THR A 536 18.214 28.566 46.258 1.00 0.00 H new ATOM 0 HG21 THR A 536 17.319 30.634 45.789 1.00 0.00 H new ATOM 0 HG22 THR A 536 18.450 31.959 45.426 1.00 0.00 H new ATOM 0 HG23 THR A 536 18.229 30.634 44.259 1.00 0.00 H new ATOM 372 N ASP A 537 20.781 31.198 43.045 1.00 0.00 N ATOM 373 CA ASP A 537 21.081 31.137 41.604 1.00 0.00 C ATOM 374 C ASP A 537 22.562 30.980 41.207 1.00 0.00 C ATOM 375 O ASP A 537 22.861 30.588 40.081 1.00 0.00 O ATOM 376 CB ASP A 537 20.451 32.316 40.837 1.00 0.00 C ATOM 377 CG ASP A 537 18.940 32.207 40.603 1.00 0.00 C ATOM 378 OD1 ASP A 537 18.475 32.636 39.518 1.00 0.00 O ATOM 379 OD2 ASP A 537 18.193 31.730 41.486 1.00 0.00 O ATOM 0 H ASP A 537 20.481 32.122 43.357 1.00 0.00 H new ATOM 0 HA ASP A 537 20.616 30.197 41.307 1.00 0.00 H new ATOM 0 HB2 ASP A 537 20.652 33.236 41.386 1.00 0.00 H new ATOM 0 HB3 ASP A 537 20.947 32.407 39.871 1.00 0.00 H new ATOM 384 N GLU A 538 23.510 31.308 42.088 1.00 0.00 N ATOM 385 CA GLU A 538 24.929 31.391 41.755 1.00 0.00 C ATOM 386 C GLU A 538 25.670 30.041 41.832 1.00 0.00 C ATOM 387 O GLU A 538 25.328 29.148 42.619 1.00 0.00 O ATOM 388 CB GLU A 538 25.583 32.476 42.621 1.00 0.00 C ATOM 389 CG GLU A 538 25.199 33.903 42.194 1.00 0.00 C ATOM 390 CD GLU A 538 25.734 34.980 43.148 1.00 0.00 C ATOM 391 OE1 GLU A 538 25.245 36.138 43.093 1.00 0.00 O ATOM 392 OE2 GLU A 538 26.654 34.670 43.942 1.00 0.00 O ATOM 0 H GLU A 538 23.308 31.526 43.064 1.00 0.00 H new ATOM 0 HA GLU A 538 25.010 31.672 40.705 1.00 0.00 H new ATOM 0 HB2 GLU A 538 25.295 32.325 43.661 1.00 0.00 H new ATOM 0 HB3 GLU A 538 26.666 32.368 42.571 1.00 0.00 H new ATOM 0 HG2 GLU A 538 25.582 34.091 41.191 1.00 0.00 H new ATOM 0 HG3 GLU A 538 24.113 33.980 42.140 1.00 0.00 H new ATOM 399 N LEU A 539 26.705 29.889 41.003 1.00 0.00 N ATOM 400 CA LEU A 539 27.572 28.716 40.899 1.00 0.00 C ATOM 401 C LEU A 539 28.889 28.945 41.661 1.00 0.00 C ATOM 402 O LEU A 539 29.574 29.942 41.435 1.00 0.00 O ATOM 403 CB LEU A 539 27.858 28.429 39.410 1.00 0.00 C ATOM 404 CG LEU A 539 27.831 26.948 38.992 1.00 0.00 C ATOM 405 CD1 LEU A 539 28.575 26.779 37.680 1.00 0.00 C ATOM 406 CD2 LEU A 539 28.491 25.993 39.983 1.00 0.00 C ATOM 0 H LEU A 539 26.975 30.624 40.349 1.00 0.00 H new ATOM 0 HA LEU A 539 27.069 27.858 41.346 1.00 0.00 H new ATOM 0 HB2 LEU A 539 27.126 28.969 38.809 1.00 0.00 H new ATOM 0 HB3 LEU A 539 28.838 28.838 39.163 1.00 0.00 H new ATOM 0 HG LEU A 539 26.773 26.695 38.929 1.00 0.00 H new ATOM 0 HD11 LEU A 539 28.556 25.730 37.384 1.00 0.00 H new ATOM 0 HD12 LEU A 539 28.095 27.383 36.909 1.00 0.00 H new ATOM 0 HD13 LEU A 539 29.608 27.103 37.803 1.00 0.00 H new ATOM 0 HD21 LEU A 539 28.424 24.973 39.605 1.00 0.00 H new ATOM 0 HD22 LEU A 539 29.539 26.266 40.108 1.00 0.00 H new ATOM 0 HD23 LEU A 539 27.982 26.058 40.945 1.00 0.00 H new ATOM 418 N GLN A 540 29.263 28.026 42.550 1.00 0.00 N ATOM 419 CA GLN A 540 30.486 28.126 43.349 1.00 0.00 C ATOM 420 C GLN A 540 31.691 27.512 42.614 1.00 0.00 C ATOM 421 O GLN A 540 31.652 26.347 42.203 1.00 0.00 O ATOM 422 CB GLN A 540 30.230 27.427 44.690 1.00 0.00 C ATOM 423 CG GLN A 540 31.263 27.831 45.753 1.00 0.00 C ATOM 424 CD GLN A 540 31.266 26.882 46.942 1.00 0.00 C ATOM 425 OE1 GLN A 540 32.107 25.999 47.041 1.00 0.00 O ATOM 426 NE2 GLN A 540 30.257 26.899 47.782 1.00 0.00 N ATOM 0 H GLN A 540 28.721 27.183 42.739 1.00 0.00 H new ATOM 0 HA GLN A 540 30.735 29.174 43.518 1.00 0.00 H new ATOM 0 HB2 GLN A 540 29.229 27.675 45.044 1.00 0.00 H new ATOM 0 HB3 GLN A 540 30.259 26.347 44.548 1.00 0.00 H new ATOM 0 HG2 GLN A 540 32.256 27.850 45.303 1.00 0.00 H new ATOM 0 HG3 GLN A 540 31.050 28.843 46.098 1.00 0.00 H new ATOM 0 HE21 GLN A 540 29.548 27.629 47.712 1.00 0.00 H new ATOM 0 HE22 GLN A 540 30.183 26.183 48.504 1.00 0.00 H new ATOM 435 N LEU A 541 32.791 28.260 42.491 1.00 0.00 N ATOM 436 CA LEU A 541 34.006 27.846 41.773 1.00 0.00 C ATOM 437 C LEU A 541 35.233 27.803 42.698 1.00 0.00 C ATOM 438 O LEU A 541 35.433 28.681 43.539 1.00 0.00 O ATOM 439 CB LEU A 541 34.238 28.756 40.544 1.00 0.00 C ATOM 440 CG LEU A 541 33.077 28.808 39.520 1.00 0.00 C ATOM 441 CD1 LEU A 541 33.486 29.675 38.334 1.00 0.00 C ATOM 442 CD2 LEU A 541 32.708 27.422 38.996 1.00 0.00 C ATOM 0 H LEU A 541 32.866 29.193 42.897 1.00 0.00 H new ATOM 0 HA LEU A 541 33.858 26.827 41.415 1.00 0.00 H new ATOM 0 HB2 LEU A 541 34.433 29.769 40.896 1.00 0.00 H new ATOM 0 HB3 LEU A 541 35.138 28.418 40.029 1.00 0.00 H new ATOM 0 HG LEU A 541 32.210 29.224 40.033 1.00 0.00 H new ATOM 0 HD11 LEU A 541 32.670 29.713 37.612 1.00 0.00 H new ATOM 0 HD12 LEU A 541 33.710 30.684 38.681 1.00 0.00 H new ATOM 0 HD13 LEU A 541 34.370 29.249 37.860 1.00 0.00 H new ATOM 0 HD21 LEU A 541 31.890 27.509 38.281 1.00 0.00 H new ATOM 0 HD22 LEU A 541 33.573 26.977 38.505 1.00 0.00 H new ATOM 0 HD23 LEU A 541 32.398 26.789 39.828 1.00 0.00 H new ATOM 454 N LYS A 542 36.082 26.793 42.508 1.00 0.00 N ATOM 455 CA LYS A 542 37.456 26.710 43.032 1.00 0.00 C ATOM 456 C LYS A 542 38.439 26.910 41.885 1.00 0.00 C ATOM 457 O LYS A 542 38.218 26.352 40.814 1.00 0.00 O ATOM 458 CB LYS A 542 37.603 25.351 43.753 1.00 0.00 C ATOM 459 CG LYS A 542 39.019 24.802 44.013 1.00 0.00 C ATOM 460 CD LYS A 542 39.965 25.686 44.835 1.00 0.00 C ATOM 461 CE LYS A 542 39.426 26.042 46.227 1.00 0.00 C ATOM 462 NZ LYS A 542 40.407 26.845 46.996 1.00 0.00 N ATOM 0 H LYS A 542 35.825 25.971 41.961 1.00 0.00 H new ATOM 0 HA LYS A 542 37.674 27.493 43.758 1.00 0.00 H new ATOM 0 HB2 LYS A 542 37.097 25.431 44.715 1.00 0.00 H new ATOM 0 HB3 LYS A 542 37.062 24.607 43.169 1.00 0.00 H new ATOM 0 HG2 LYS A 542 38.923 23.843 44.522 1.00 0.00 H new ATOM 0 HG3 LYS A 542 39.489 24.606 43.049 1.00 0.00 H new ATOM 0 HD2 LYS A 542 40.921 25.174 44.946 1.00 0.00 H new ATOM 0 HD3 LYS A 542 40.158 26.606 44.284 1.00 0.00 H new ATOM 0 HE2 LYS A 542 38.495 26.600 46.127 1.00 0.00 H new ATOM 0 HE3 LYS A 542 39.193 25.128 46.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 40.460 26.488 47.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 41.343 26.771 46.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 40.107 27.841 47.008 1.00 0.00 H new ATOM 476 N ALA A 543 39.517 27.669 42.085 1.00 0.00 N ATOM 477 CA ALA A 543 40.577 27.850 41.097 1.00 0.00 C ATOM 478 C ALA A 543 41.053 26.491 40.547 1.00 0.00 C ATOM 479 O ALA A 543 41.578 25.648 41.280 1.00 0.00 O ATOM 480 CB ALA A 543 41.723 28.634 41.747 1.00 0.00 C ATOM 0 H ALA A 543 39.679 28.182 42.951 1.00 0.00 H new ATOM 0 HA ALA A 543 40.199 28.416 40.246 1.00 0.00 H new ATOM 0 HB1 ALA A 543 42.523 28.777 41.021 1.00 0.00 H new ATOM 0 HB2 ALA A 543 41.357 29.605 42.080 1.00 0.00 H new ATOM 0 HB3 ALA A 543 42.105 28.078 42.603 1.00 0.00 H new ATOM 486 N GLY A 544 40.810 26.267 39.258 1.00 0.00 N ATOM 487 CA GLY A 544 41.077 25.031 38.519 1.00 0.00 C ATOM 488 C GLY A 544 39.827 24.221 38.153 1.00 0.00 C ATOM 489 O GLY A 544 39.962 23.234 37.430 1.00 0.00 O ATOM 0 H GLY A 544 40.396 26.985 38.664 1.00 0.00 H new ATOM 0 HA2 GLY A 544 41.613 25.280 37.603 1.00 0.00 H new ATOM 0 HA3 GLY A 544 41.739 24.403 39.115 1.00 0.00 H new ATOM 493 N ASP A 545 38.625 24.616 38.597 1.00 0.00 N ATOM 494 CA ASP A 545 37.363 23.953 38.243 1.00 0.00 C ATOM 495 C ASP A 545 36.922 24.136 36.783 1.00 0.00 C ATOM 496 O ASP A 545 36.684 25.267 36.358 1.00 0.00 O ATOM 497 CB ASP A 545 36.225 24.342 39.217 1.00 0.00 C ATOM 498 CG ASP A 545 36.222 23.630 40.573 1.00 0.00 C ATOM 499 OD1 ASP A 545 35.362 23.982 41.417 1.00 0.00 O ATOM 500 OD2 ASP A 545 36.986 22.652 40.773 1.00 0.00 O ATOM 0 H ASP A 545 38.501 25.415 39.219 1.00 0.00 H new ATOM 0 HA ASP A 545 37.574 22.889 38.347 1.00 0.00 H new ATOM 0 HB2 ASP A 545 36.278 25.416 39.394 1.00 0.00 H new ATOM 0 HB3 ASP A 545 35.272 24.147 38.726 1.00 0.00 H new ATOM 505 N VAL A 546 36.765 23.048 36.022 1.00 0.00 N ATOM 506 CA VAL A 546 36.079 23.075 34.717 1.00 0.00 C ATOM 507 C VAL A 546 34.578 23.285 34.916 1.00 0.00 C ATOM 508 O VAL A 546 33.962 22.620 35.758 1.00 0.00 O ATOM 509 CB VAL A 546 36.353 21.817 33.858 1.00 0.00 C ATOM 510 CG1 VAL A 546 35.763 21.931 32.448 1.00 0.00 C ATOM 511 CG2 VAL A 546 37.857 21.544 33.714 1.00 0.00 C ATOM 0 H VAL A 546 37.107 22.125 36.288 1.00 0.00 H new ATOM 0 HA VAL A 546 36.491 23.916 34.159 1.00 0.00 H new ATOM 0 HB VAL A 546 35.870 20.996 34.389 1.00 0.00 H new ATOM 0 HG11 VAL A 546 35.983 21.023 31.887 1.00 0.00 H new ATOM 0 HG12 VAL A 546 34.683 22.063 32.515 1.00 0.00 H new ATOM 0 HG13 VAL A 546 36.202 22.788 31.938 1.00 0.00 H new ATOM 0 HG21 VAL A 546 38.008 20.653 33.104 1.00 0.00 H new ATOM 0 HG22 VAL A 546 38.337 22.397 33.235 1.00 0.00 H new ATOM 0 HG23 VAL A 546 38.294 21.388 34.700 1.00 0.00 H new ATOM 521 N VAL A 547 33.980 24.171 34.118 1.00 0.00 N ATOM 522 CA VAL A 547 32.540 24.449 34.080 1.00 0.00 C ATOM 523 C VAL A 547 32.010 24.307 32.668 1.00 0.00 C ATOM 524 O VAL A 547 32.491 24.956 31.741 1.00 0.00 O ATOM 525 CB VAL A 547 32.116 25.787 34.736 1.00 0.00 C ATOM 526 CG1 VAL A 547 30.698 25.695 35.290 1.00 0.00 C ATOM 527 CG2 VAL A 547 33.056 26.271 35.839 1.00 0.00 C ATOM 0 H VAL A 547 34.505 24.738 33.453 1.00 0.00 H new ATOM 0 HA VAL A 547 32.073 23.692 34.710 1.00 0.00 H new ATOM 0 HB VAL A 547 32.166 26.523 33.934 1.00 0.00 H new ATOM 0 HG11 VAL A 547 30.423 26.646 35.746 1.00 0.00 H new ATOM 0 HG12 VAL A 547 30.005 25.467 34.480 1.00 0.00 H new ATOM 0 HG13 VAL A 547 30.651 24.906 36.041 1.00 0.00 H new ATOM 0 HG21 VAL A 547 32.687 27.213 36.245 1.00 0.00 H new ATOM 0 HG22 VAL A 547 33.099 25.526 36.633 1.00 0.00 H new ATOM 0 HG23 VAL A 547 34.054 26.420 35.427 1.00 0.00 H new ATOM 537 N LEU A 548 31.041 23.419 32.501 1.00 0.00 N ATOM 538 CA LEU A 548 30.343 23.203 31.249 1.00 0.00 C ATOM 539 C LEU A 548 29.300 24.322 31.089 1.00 0.00 C ATOM 540 O LEU A 548 28.278 24.312 31.780 1.00 0.00 O ATOM 541 CB LEU A 548 29.674 21.818 31.298 1.00 0.00 C ATOM 542 CG LEU A 548 30.511 20.590 31.710 1.00 0.00 C ATOM 543 CD1 LEU A 548 29.607 19.378 31.898 1.00 0.00 C ATOM 544 CD2 LEU A 548 31.590 20.218 30.708 1.00 0.00 C ATOM 0 H LEU A 548 30.712 22.815 33.254 1.00 0.00 H new ATOM 0 HA LEU A 548 31.023 23.228 30.397 1.00 0.00 H new ATOM 0 HB2 LEU A 548 28.831 21.886 31.986 1.00 0.00 H new ATOM 0 HB3 LEU A 548 29.263 21.617 30.309 1.00 0.00 H new ATOM 0 HG LEU A 548 31.004 20.873 32.640 1.00 0.00 H new ATOM 0 HD11 LEU A 548 30.209 18.517 32.189 1.00 0.00 H new ATOM 0 HD12 LEU A 548 28.874 19.588 32.677 1.00 0.00 H new ATOM 0 HD13 LEU A 548 29.091 19.161 30.963 1.00 0.00 H new ATOM 0 HD21 LEU A 548 32.135 19.346 31.068 1.00 0.00 H new ATOM 0 HD22 LEU A 548 31.130 19.988 29.747 1.00 0.00 H new ATOM 0 HD23 LEU A 548 32.280 21.054 30.589 1.00 0.00 H new ATOM 556 N VAL A 549 29.554 25.302 30.223 1.00 0.00 N ATOM 557 CA VAL A 549 28.542 26.310 29.847 1.00 0.00 C ATOM 558 C VAL A 549 27.300 25.700 29.181 1.00 0.00 C ATOM 559 O VAL A 549 27.386 24.930 28.220 1.00 0.00 O ATOM 560 CB VAL A 549 29.132 27.433 28.978 1.00 0.00 C ATOM 561 CG1 VAL A 549 28.122 28.547 28.717 1.00 0.00 C ATOM 562 CG2 VAL A 549 30.377 27.990 29.679 1.00 0.00 C ATOM 0 H VAL A 549 30.455 25.426 29.762 1.00 0.00 H new ATOM 0 HA VAL A 549 28.213 26.752 30.788 1.00 0.00 H new ATOM 0 HB VAL A 549 29.399 27.019 28.006 1.00 0.00 H new ATOM 0 HG11 VAL A 549 28.582 29.318 28.099 1.00 0.00 H new ATOM 0 HG12 VAL A 549 27.254 28.138 28.199 1.00 0.00 H new ATOM 0 HG13 VAL A 549 27.807 28.982 29.665 1.00 0.00 H new ATOM 0 HG21 VAL A 549 30.808 28.788 29.075 1.00 0.00 H new ATOM 0 HG22 VAL A 549 30.098 28.384 30.656 1.00 0.00 H new ATOM 0 HG23 VAL A 549 31.111 27.194 29.805 1.00 0.00 H new ATOM 572 N ILE A 550 26.130 26.114 29.665 1.00 0.00 N ATOM 573 CA ILE A 550 24.797 25.757 29.159 1.00 0.00 C ATOM 574 C ILE A 550 24.018 27.057 28.872 1.00 0.00 C ATOM 575 O ILE A 550 24.330 28.101 29.451 1.00 0.00 O ATOM 576 CB ILE A 550 24.046 24.852 30.173 1.00 0.00 C ATOM 577 CG1 ILE A 550 23.657 25.654 31.439 1.00 0.00 C ATOM 578 CG2 ILE A 550 24.820 23.545 30.444 1.00 0.00 C ATOM 579 CD1 ILE A 550 23.183 24.821 32.630 1.00 0.00 C ATOM 0 H ILE A 550 26.079 26.743 30.466 1.00 0.00 H new ATOM 0 HA ILE A 550 24.890 25.185 28.236 1.00 0.00 H new ATOM 0 HB ILE A 550 23.102 24.526 29.736 1.00 0.00 H new ATOM 0 HG12 ILE A 550 24.518 26.245 31.752 1.00 0.00 H new ATOM 0 HG13 ILE A 550 22.868 26.357 31.173 1.00 0.00 H new ATOM 0 HG21 ILE A 550 24.266 22.935 31.158 1.00 0.00 H new ATOM 0 HG22 ILE A 550 24.940 22.993 29.512 1.00 0.00 H new ATOM 0 HG23 ILE A 550 25.802 23.782 30.854 1.00 0.00 H new ATOM 0 HD11 ILE A 550 22.937 25.482 33.461 1.00 0.00 H new ATOM 0 HD12 ILE A 550 22.299 24.250 32.346 1.00 0.00 H new ATOM 0 HD13 ILE A 550 23.975 24.136 32.933 1.00 0.00 H new ATOM 591 N PRO A 551 22.999 27.025 27.998 1.00 0.00 N ATOM 592 CA PRO A 551 22.154 28.181 27.724 1.00 0.00 C ATOM 593 C PRO A 551 21.326 28.551 28.956 1.00 0.00 C ATOM 594 O PRO A 551 20.890 27.680 29.718 1.00 0.00 O ATOM 595 CB PRO A 551 21.284 27.762 26.539 1.00 0.00 C ATOM 596 CG PRO A 551 21.154 26.249 26.706 1.00 0.00 C ATOM 597 CD PRO A 551 22.523 25.867 27.258 1.00 0.00 C ATOM 0 HA PRO A 551 22.730 29.076 27.488 1.00 0.00 H new ATOM 0 HB2 PRO A 551 20.311 28.253 26.562 1.00 0.00 H new ATOM 0 HB3 PRO A 551 21.749 28.022 25.588 1.00 0.00 H new ATOM 0 HG2 PRO A 551 20.350 25.983 27.392 1.00 0.00 H new ATOM 0 HG3 PRO A 551 20.943 25.751 25.759 1.00 0.00 H new ATOM 0 HD2 PRO A 551 22.452 24.993 27.906 1.00 0.00 H new ATOM 0 HD3 PRO A 551 23.210 25.611 26.452 1.00 0.00 H new ATOM 605 N PHE A 552 21.084 29.851 29.141 1.00 0.00 N ATOM 606 CA PHE A 552 20.269 30.330 30.253 1.00 0.00 C ATOM 607 C PHE A 552 18.847 29.781 30.296 1.00 0.00 C ATOM 608 O PHE A 552 18.171 29.721 29.265 1.00 0.00 O ATOM 609 CB PHE A 552 20.264 31.855 30.383 1.00 0.00 C ATOM 610 CG PHE A 552 21.492 32.480 31.026 1.00 0.00 C ATOM 611 CD1 PHE A 552 22.709 32.554 30.322 1.00 0.00 C ATOM 612 CD2 PHE A 552 21.404 33.034 32.318 1.00 0.00 C ATOM 613 CE1 PHE A 552 23.833 33.159 30.913 1.00 0.00 C ATOM 614 CE2 PHE A 552 22.528 33.641 32.906 1.00 0.00 C ATOM 615 CZ PHE A 552 23.745 33.699 32.208 1.00 0.00 C ATOM 0 H PHE A 552 21.442 30.588 28.534 1.00 0.00 H new ATOM 0 HA PHE A 552 20.776 29.916 31.125 1.00 0.00 H new ATOM 0 HB2 PHE A 552 20.144 32.283 29.388 1.00 0.00 H new ATOM 0 HB3 PHE A 552 19.388 32.146 30.963 1.00 0.00 H new ATOM 0 HD1 PHE A 552 22.780 32.145 29.325 1.00 0.00 H new ATOM 0 HD2 PHE A 552 20.470 32.992 32.859 1.00 0.00 H new ATOM 0 HE1 PHE A 552 24.766 33.209 30.371 1.00 0.00 H new ATOM 0 HE2 PHE A 552 22.455 34.064 33.897 1.00 0.00 H new ATOM 0 HZ PHE A 552 24.610 34.157 32.664 1.00 0.00 H new ATOM 700 N GLN A 558 19.205 36.365 32.418 1.00 0.00 N ATOM 701 CA GLN A 558 20.610 36.622 32.075 1.00 0.00 C ATOM 702 C GLN A 558 21.110 38.006 32.539 1.00 0.00 C ATOM 703 O GLN A 558 20.572 39.046 32.151 1.00 0.00 O ATOM 704 CB GLN A 558 20.853 36.339 30.579 1.00 0.00 C ATOM 705 CG GLN A 558 22.312 36.603 30.162 1.00 0.00 C ATOM 706 CD GLN A 558 22.784 35.824 28.932 1.00 0.00 C ATOM 707 OE1 GLN A 558 22.012 35.296 28.144 1.00 0.00 O ATOM 708 NE2 GLN A 558 24.079 35.751 28.709 1.00 0.00 N ATOM 0 HA GLN A 558 21.226 35.923 32.641 1.00 0.00 H new ATOM 0 HB2 GLN A 558 20.598 35.302 30.362 1.00 0.00 H new ATOM 0 HB3 GLN A 558 20.188 36.963 29.981 1.00 0.00 H new ATOM 0 HG2 GLN A 558 22.431 37.669 29.966 1.00 0.00 H new ATOM 0 HG3 GLN A 558 22.964 36.358 31.001 1.00 0.00 H new ATOM 0 HE21 GLN A 558 24.734 36.187 29.358 1.00 0.00 H new ATOM 0 HE22 GLN A 558 24.428 35.258 27.887 1.00 0.00 H new ATOM 717 N ASP A 559 22.165 37.979 33.361 1.00 0.00 N ATOM 718 CA ASP A 559 22.902 39.117 33.920 1.00 0.00 C ATOM 719 C ASP A 559 24.151 39.495 33.101 1.00 0.00 C ATOM 720 O ASP A 559 24.784 38.615 32.513 1.00 0.00 O ATOM 721 CB ASP A 559 23.209 38.843 35.407 1.00 0.00 C ATOM 722 CG ASP A 559 21.975 38.923 36.305 1.00 0.00 C ATOM 723 OD1 ASP A 559 21.162 39.850 36.121 1.00 0.00 O ATOM 724 OD2 ASP A 559 21.813 38.095 37.230 1.00 0.00 O ATOM 0 H ASP A 559 22.556 37.091 33.677 1.00 0.00 H new ATOM 0 HA ASP A 559 22.269 40.002 33.856 1.00 0.00 H new ATOM 0 HB2 ASP A 559 23.655 37.853 35.502 1.00 0.00 H new ATOM 0 HB3 ASP A 559 23.951 39.562 35.756 1.00 0.00 H new ATOM 729 N GLU A 560 24.533 40.772 33.017 1.00 0.00 N ATOM 730 CA GLU A 560 25.637 41.200 32.142 1.00 0.00 C ATOM 731 C GLU A 560 27.025 40.979 32.761 1.00 0.00 C ATOM 732 O GLU A 560 27.265 41.298 33.924 1.00 0.00 O ATOM 733 CB GLU A 560 25.416 42.638 31.658 1.00 0.00 C ATOM 734 CG GLU A 560 26.591 43.308 30.933 1.00 0.00 C ATOM 735 CD GLU A 560 27.024 42.675 29.599 1.00 0.00 C ATOM 736 OE1 GLU A 560 27.623 43.424 28.792 1.00 0.00 O ATOM 737 OE2 GLU A 560 26.826 41.456 29.340 1.00 0.00 O ATOM 0 H GLU A 560 24.097 41.530 33.542 1.00 0.00 H new ATOM 0 HA GLU A 560 25.624 40.553 31.265 1.00 0.00 H new ATOM 0 HB2 GLU A 560 24.555 42.644 30.989 1.00 0.00 H new ATOM 0 HB3 GLU A 560 25.154 43.251 32.520 1.00 0.00 H new ATOM 0 HG2 GLU A 560 26.328 44.349 30.747 1.00 0.00 H new ATOM 0 HG3 GLU A 560 27.450 43.311 31.604 1.00 0.00 H new ATOM 744 N GLY A 561 27.951 40.420 31.977 1.00 0.00 N ATOM 745 CA GLY A 561 29.254 39.941 32.457 1.00 0.00 C ATOM 746 C GLY A 561 29.199 38.594 33.198 1.00 0.00 C ATOM 747 O GLY A 561 30.241 38.079 33.615 1.00 0.00 O ATOM 0 H GLY A 561 27.816 40.285 30.975 1.00 0.00 H new ATOM 0 HA2 GLY A 561 29.929 39.847 31.607 1.00 0.00 H new ATOM 0 HA3 GLY A 561 29.681 40.691 33.122 1.00 0.00 H new ATOM 751 N TRP A 562 28.004 38.015 33.349 1.00 0.00 N ATOM 752 CA TRP A 562 27.759 36.696 33.928 1.00 0.00 C ATOM 753 C TRP A 562 27.612 35.614 32.853 1.00 0.00 C ATOM 754 O TRP A 562 27.283 35.910 31.700 1.00 0.00 O ATOM 755 CB TRP A 562 26.527 36.765 34.842 1.00 0.00 C ATOM 756 CG TRP A 562 26.717 37.551 36.096 1.00 0.00 C ATOM 757 CD1 TRP A 562 26.775 38.898 36.180 1.00 0.00 C ATOM 758 CD2 TRP A 562 27.140 37.065 37.400 1.00 0.00 C ATOM 759 NE1 TRP A 562 27.151 39.270 37.453 1.00 0.00 N ATOM 760 CE2 TRP A 562 27.413 38.179 38.241 1.00 0.00 C ATOM 761 CE3 TRP A 562 27.297 35.784 37.958 1.00 0.00 C ATOM 762 CZ2 TRP A 562 27.840 38.036 39.565 1.00 0.00 C ATOM 763 CZ3 TRP A 562 27.733 35.621 39.282 1.00 0.00 C ATOM 764 CH2 TRP A 562 28.011 36.743 40.081 1.00 0.00 C ATOM 0 H TRP A 562 27.143 38.477 33.056 1.00 0.00 H new ATOM 0 HA TRP A 562 28.625 36.410 34.524 1.00 0.00 H new ATOM 0 HB2 TRP A 562 25.700 37.199 34.280 1.00 0.00 H new ATOM 0 HB3 TRP A 562 26.233 35.750 35.108 1.00 0.00 H new ATOM 0 HD1 TRP A 562 26.559 39.581 35.371 1.00 0.00 H new ATOM 0 HE1 TRP A 562 27.225 40.237 37.769 1.00 0.00 H new ATOM 0 HE3 TRP A 562 27.079 34.912 37.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 28.034 38.904 40.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 27.855 34.628 39.689 1.00 0.00 H new ATOM 0 HH2 TRP A 562 28.357 36.609 41.095 1.00 0.00 H new ATOM 775 N LEU A 563 27.825 34.362 33.249 1.00 0.00 N ATOM 776 CA LEU A 563 27.688 33.148 32.443 1.00 0.00 C ATOM 777 C LEU A 563 26.936 32.077 33.252 1.00 0.00 C ATOM 778 O LEU A 563 26.959 32.131 34.478 1.00 0.00 O ATOM 779 CB LEU A 563 29.114 32.681 32.097 1.00 0.00 C ATOM 780 CG LEU A 563 29.503 32.749 30.619 1.00 0.00 C ATOM 781 CD1 LEU A 563 28.824 31.629 29.846 1.00 0.00 C ATOM 782 CD2 LEU A 563 29.243 34.062 29.895 1.00 0.00 C ATOM 0 H LEU A 563 28.117 34.153 34.204 1.00 0.00 H new ATOM 0 HA LEU A 563 27.120 33.330 31.531 1.00 0.00 H new ATOM 0 HB2 LEU A 563 29.821 33.285 32.666 1.00 0.00 H new ATOM 0 HB3 LEU A 563 29.230 31.651 32.435 1.00 0.00 H new ATOM 0 HG LEU A 563 30.588 32.647 30.641 1.00 0.00 H new ATOM 0 HD11 LEU A 563 29.108 31.688 28.795 1.00 0.00 H new ATOM 0 HD12 LEU A 563 29.134 30.666 30.253 1.00 0.00 H new ATOM 0 HD13 LEU A 563 27.742 31.729 29.935 1.00 0.00 H new ATOM 0 HD21 LEU A 563 29.564 33.975 28.857 1.00 0.00 H new ATOM 0 HD22 LEU A 563 28.178 34.291 29.928 1.00 0.00 H new ATOM 0 HD23 LEU A 563 29.801 34.862 30.381 1.00 0.00 H new ATOM 794 N MET A 564 26.293 31.105 32.594 1.00 0.00 N ATOM 795 CA MET A 564 25.615 29.972 33.244 1.00 0.00 C ATOM 796 C MET A 564 26.218 28.626 32.827 1.00 0.00 C ATOM 797 O MET A 564 26.568 28.414 31.672 1.00 0.00 O ATOM 798 CB MET A 564 24.102 30.031 32.969 1.00 0.00 C ATOM 799 CG MET A 564 23.316 28.908 33.665 1.00 0.00 C ATOM 800 SD MET A 564 21.504 29.061 33.639 1.00 0.00 S ATOM 801 CE MET A 564 21.296 30.459 34.771 1.00 0.00 C ATOM 0 H MET A 564 26.227 31.081 31.576 1.00 0.00 H new ATOM 0 HA MET A 564 25.771 30.056 34.320 1.00 0.00 H new ATOM 0 HB2 MET A 564 23.716 30.995 33.301 1.00 0.00 H new ATOM 0 HB3 MET A 564 23.932 29.972 31.894 1.00 0.00 H new ATOM 0 HG2 MET A 564 23.587 27.961 33.199 1.00 0.00 H new ATOM 0 HG3 MET A 564 23.641 28.856 34.704 1.00 0.00 H new ATOM 0 HE1 MET A 564 20.248 30.759 34.790 1.00 0.00 H new ATOM 0 HE2 MET A 564 21.608 30.165 35.773 1.00 0.00 H new ATOM 0 HE3 MET A 564 21.907 31.296 34.432 1.00 0.00 H new ATOM 811 N GLY A 565 26.327 27.695 33.769 1.00 0.00 N ATOM 812 CA GLY A 565 26.873 26.365 33.535 1.00 0.00 C ATOM 813 C GLY A 565 26.689 25.422 34.718 1.00 0.00 C ATOM 814 O GLY A 565 26.025 25.747 35.705 1.00 0.00 O ATOM 0 H GLY A 565 26.033 27.848 34.734 1.00 0.00 H new ATOM 0 HA2 GLY A 565 26.394 25.933 32.656 1.00 0.00 H new ATOM 0 HA3 GLY A 565 27.936 26.451 33.309 1.00 0.00 H new ATOM 818 N VAL A 566 27.317 24.254 34.608 1.00 0.00 N ATOM 819 CA VAL A 566 27.427 23.225 35.652 1.00 0.00 C ATOM 820 C VAL A 566 28.877 22.745 35.734 1.00 0.00 C ATOM 821 O VAL A 566 29.544 22.603 34.707 1.00 0.00 O ATOM 822 CB VAL A 566 26.418 22.083 35.391 1.00 0.00 C ATOM 823 CG1 VAL A 566 26.671 21.342 34.070 1.00 0.00 C ATOM 824 CG2 VAL A 566 26.414 21.042 36.514 1.00 0.00 C ATOM 0 H VAL A 566 27.789 23.981 33.746 1.00 0.00 H new ATOM 0 HA VAL A 566 27.167 23.641 36.625 1.00 0.00 H new ATOM 0 HB VAL A 566 25.452 22.585 35.341 1.00 0.00 H new ATOM 0 HG11 VAL A 566 25.929 20.553 33.947 1.00 0.00 H new ATOM 0 HG12 VAL A 566 26.596 22.044 33.239 1.00 0.00 H new ATOM 0 HG13 VAL A 566 27.668 20.903 34.085 1.00 0.00 H new ATOM 0 HG21 VAL A 566 25.689 20.261 36.284 1.00 0.00 H new ATOM 0 HG22 VAL A 566 27.407 20.601 36.604 1.00 0.00 H new ATOM 0 HG23 VAL A 566 26.143 21.522 37.454 1.00 0.00 H new ATOM 834 N LYS A 567 29.406 22.512 36.937 1.00 0.00 N ATOM 835 CA LYS A 567 30.756 21.966 37.127 1.00 0.00 C ATOM 836 C LYS A 567 30.916 20.630 36.420 1.00 0.00 C ATOM 837 O LYS A 567 30.060 19.755 36.542 1.00 0.00 O ATOM 838 CB LYS A 567 31.070 21.833 38.628 1.00 0.00 C ATOM 839 CG LYS A 567 31.770 23.097 39.149 1.00 0.00 C ATOM 840 CD LYS A 567 32.211 22.960 40.609 1.00 0.00 C ATOM 841 CE LYS A 567 31.029 23.022 41.578 1.00 0.00 C ATOM 842 NZ LYS A 567 31.435 22.719 42.973 1.00 0.00 N ATOM 0 H LYS A 567 28.911 22.696 37.810 1.00 0.00 H new ATOM 0 HA LYS A 567 31.469 22.660 36.682 1.00 0.00 H new ATOM 0 HB2 LYS A 567 30.148 21.666 39.184 1.00 0.00 H new ATOM 0 HB3 LYS A 567 31.705 20.964 38.796 1.00 0.00 H new ATOM 0 HG2 LYS A 567 32.640 23.309 38.528 1.00 0.00 H new ATOM 0 HG3 LYS A 567 31.095 23.948 39.054 1.00 0.00 H new ATOM 0 HD2 LYS A 567 32.737 22.015 40.741 1.00 0.00 H new ATOM 0 HD3 LYS A 567 32.918 23.754 40.849 1.00 0.00 H new ATOM 0 HE2 LYS A 567 30.580 24.015 41.539 1.00 0.00 H new ATOM 0 HE3 LYS A 567 30.264 22.313 41.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 30.604 22.772 43.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 31.840 21.762 43.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 32.146 23.410 43.285 1.00 0.00 H new ATOM 856 N GLU A 568 32.041 20.426 35.740 1.00 0.00 N ATOM 857 CA GLU A 568 32.324 19.129 35.123 1.00 0.00 C ATOM 858 C GLU A 568 32.382 18.020 36.189 1.00 0.00 C ATOM 859 O GLU A 568 31.792 16.964 35.995 1.00 0.00 O ATOM 860 CB GLU A 568 33.608 19.196 34.283 1.00 0.00 C ATOM 861 CG GLU A 568 33.853 17.895 33.507 1.00 0.00 C ATOM 862 CD GLU A 568 35.024 18.019 32.521 1.00 0.00 C ATOM 863 OE1 GLU A 568 36.180 17.727 32.917 1.00 0.00 O ATOM 864 OE2 GLU A 568 34.785 18.319 31.329 1.00 0.00 O ATOM 0 H GLU A 568 32.765 21.131 35.602 1.00 0.00 H new ATOM 0 HA GLU A 568 31.509 18.878 34.444 1.00 0.00 H new ATOM 0 HB2 GLU A 568 33.541 20.029 33.583 1.00 0.00 H new ATOM 0 HB3 GLU A 568 34.458 19.395 34.935 1.00 0.00 H new ATOM 0 HG2 GLU A 568 34.056 17.087 34.210 1.00 0.00 H new ATOM 0 HG3 GLU A 568 32.949 17.623 32.962 1.00 0.00 H new ATOM 871 N SER A 569 32.963 18.288 37.365 1.00 0.00 N ATOM 872 CA SER A 569 33.008 17.341 38.494 1.00 0.00 C ATOM 873 C SER A 569 31.646 17.124 39.182 1.00 0.00 C ATOM 874 O SER A 569 31.461 16.171 39.939 1.00 0.00 O ATOM 875 CB SER A 569 34.062 17.837 39.486 1.00 0.00 C ATOM 876 OG SER A 569 34.233 16.952 40.576 1.00 0.00 O ATOM 0 H SER A 569 33.421 19.177 37.565 1.00 0.00 H new ATOM 0 HA SER A 569 33.276 16.359 38.103 1.00 0.00 H new ATOM 0 HB2 SER A 569 35.014 17.961 38.969 1.00 0.00 H new ATOM 0 HB3 SER A 569 33.772 18.819 39.860 1.00 0.00 H new ATOM 0 HG SER A 569 34.916 17.308 41.182 1.00 0.00 H new ATOM 882 N ASP A 570 30.661 17.982 38.914 1.00 0.00 N ATOM 883 CA ASP A 570 29.253 17.758 39.254 1.00 0.00 C ATOM 884 C ASP A 570 28.490 16.907 38.220 1.00 0.00 C ATOM 885 O ASP A 570 27.804 15.940 38.560 1.00 0.00 O ATOM 886 CB ASP A 570 28.575 19.105 39.571 1.00 0.00 C ATOM 887 CG ASP A 570 28.912 19.711 40.941 1.00 0.00 C ATOM 888 OD1 ASP A 570 29.690 19.127 41.738 1.00 0.00 O ATOM 889 OD2 ASP A 570 28.364 20.797 41.247 1.00 0.00 O ATOM 0 H ASP A 570 30.822 18.873 38.444 1.00 0.00 H new ATOM 0 HA ASP A 570 29.220 17.145 40.154 1.00 0.00 H new ATOM 0 HB2 ASP A 570 28.853 19.822 38.798 1.00 0.00 H new ATOM 0 HB3 ASP A 570 27.495 18.971 39.508 1.00 0.00 H new ATOM 894 N TRP A 571 28.679 17.215 36.935 1.00 0.00 N ATOM 895 CA TRP A 571 28.057 16.519 35.804 1.00 0.00 C ATOM 896 C TRP A 571 28.609 15.102 35.550 1.00 0.00 C ATOM 897 O TRP A 571 27.844 14.171 35.282 1.00 0.00 O ATOM 898 CB TRP A 571 28.186 17.430 34.576 1.00 0.00 C ATOM 899 CG TRP A 571 27.657 16.864 33.296 1.00 0.00 C ATOM 900 CD1 TRP A 571 28.383 16.190 32.377 1.00 0.00 C ATOM 901 CD2 TRP A 571 26.264 16.687 32.898 1.00 0.00 C ATOM 902 NE1 TRP A 571 27.552 15.687 31.396 1.00 0.00 N ATOM 903 CE2 TRP A 571 26.229 15.945 31.679 1.00 0.00 C ATOM 904 CE3 TRP A 571 25.027 17.095 33.445 1.00 0.00 C ATOM 905 CZ2 TRP A 571 25.025 15.621 31.039 1.00 0.00 C ATOM 906 CZ3 TRP A 571 23.815 16.782 32.801 1.00 0.00 C ATOM 907 CH2 TRP A 571 23.809 16.030 31.614 1.00 0.00 C ATOM 0 H TRP A 571 29.288 17.979 36.643 1.00 0.00 H new ATOM 0 HA TRP A 571 27.008 16.338 36.039 1.00 0.00 H new ATOM 0 HB2 TRP A 571 27.665 18.365 34.782 1.00 0.00 H new ATOM 0 HB3 TRP A 571 29.239 17.676 34.437 1.00 0.00 H new ATOM 0 HD1 TRP A 571 29.455 16.063 32.406 1.00 0.00 H new ATOM 0 HE1 TRP A 571 27.876 15.188 30.568 1.00 0.00 H new ATOM 0 HE3 TRP A 571 25.011 17.654 34.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 571 25.031 15.063 30.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 571 22.881 17.123 33.223 1.00 0.00 H new ATOM 0 HH2 TRP A 571 22.873 15.767 31.145 1.00 0.00 H new ATOM 918 N ASN A 572 29.918 14.891 35.721 1.00 0.00 N ATOM 919 CA ASN A 572 30.577 13.579 35.624 1.00 0.00 C ATOM 920 C ASN A 572 30.146 12.627 36.766 1.00 0.00 C ATOM 921 O ASN A 572 30.355 11.418 36.683 1.00 0.00 O ATOM 922 CB ASN A 572 32.107 13.798 35.574 1.00 0.00 C ATOM 923 CG ASN A 572 32.850 12.771 34.732 1.00 0.00 C ATOM 924 OD1 ASN A 572 32.471 11.616 34.596 1.00 0.00 O ATOM 925 ND2 ASN A 572 33.957 13.147 34.142 1.00 0.00 N ATOM 0 H ASN A 572 30.568 15.647 35.937 1.00 0.00 H new ATOM 0 HA ASN A 572 30.264 13.081 34.706 1.00 0.00 H new ATOM 0 HB2 ASN A 572 32.309 14.793 35.177 1.00 0.00 H new ATOM 0 HB3 ASN A 572 32.501 13.774 36.590 1.00 0.00 H new ATOM 0 HD21 ASN A 572 34.487 12.481 33.581 1.00 0.00 H new ATOM 0 HD22 ASN A 572 34.289 14.106 34.244 1.00 0.00 H new ATOM 932 N GLN A 573 29.499 13.152 37.815 1.00 0.00 N ATOM 933 CA GLN A 573 28.860 12.382 38.892 1.00 0.00 C ATOM 934 C GLN A 573 27.372 12.056 38.646 1.00 0.00 C ATOM 935 O GLN A 573 26.740 11.416 39.485 1.00 0.00 O ATOM 936 CB GLN A 573 29.107 13.089 40.232 1.00 0.00 C ATOM 937 CG GLN A 573 30.579 13.008 40.670 1.00 0.00 C ATOM 938 CD GLN A 573 30.842 11.880 41.658 1.00 0.00 C ATOM 939 OE1 GLN A 573 30.906 12.104 42.859 1.00 0.00 O ATOM 940 NE2 GLN A 573 30.837 10.628 41.236 1.00 0.00 N ATOM 0 H GLN A 573 29.402 14.159 37.942 1.00 0.00 H new ATOM 0 HA GLN A 573 29.329 11.398 38.916 1.00 0.00 H new ATOM 0 HB2 GLN A 573 28.812 14.135 40.149 1.00 0.00 H new ATOM 0 HB3 GLN A 573 28.476 12.640 40.999 1.00 0.00 H new ATOM 0 HG2 GLN A 573 31.207 12.868 39.790 1.00 0.00 H new ATOM 0 HG3 GLN A 573 30.871 13.956 41.122 1.00 0.00 H new ATOM 0 HE21 GLN A 573 30.784 10.427 40.237 1.00 0.00 H new ATOM 0 HE22 GLN A 573 30.886 9.863 41.909 1.00 0.00 H new ATOM 949 N HIS A 574 26.814 12.458 37.498 1.00 0.00 N ATOM 950 CA HIS A 574 25.421 12.190 37.087 1.00 0.00 C ATOM 951 C HIS A 574 24.379 12.777 38.069 1.00 0.00 C ATOM 952 O HIS A 574 23.340 12.174 38.351 1.00 0.00 O ATOM 953 CB HIS A 574 25.216 10.691 36.778 1.00 0.00 C ATOM 954 CG HIS A 574 26.177 10.103 35.768 1.00 0.00 C ATOM 955 ND1 HIS A 574 25.934 9.864 34.431 1.00 0.00 N ATOM 956 CD2 HIS A 574 27.449 9.664 36.021 1.00 0.00 C ATOM 957 CE1 HIS A 574 27.035 9.322 33.892 1.00 0.00 C ATOM 958 NE2 HIS A 574 27.989 9.165 34.827 1.00 0.00 N ATOM 0 H HIS A 574 27.332 12.996 36.804 1.00 0.00 H new ATOM 0 HA HIS A 574 25.242 12.726 36.155 1.00 0.00 H new ATOM 0 HB2 HIS A 574 25.304 10.130 37.708 1.00 0.00 H new ATOM 0 HB3 HIS A 574 24.199 10.548 36.414 1.00 0.00 H new ATOM 0 HD2 HIS A 574 27.951 9.697 36.977 1.00 0.00 H new ATOM 0 HE1 HIS A 574 27.141 9.049 32.852 1.00 0.00 H new ATOM 0 HE2 HIS A 574 28.917 8.764 34.694 1.00 0.00 H new ATOM 966 N LYS A 575 24.696 13.946 38.646 1.00 0.00 N ATOM 967 CA LYS A 575 23.904 14.647 39.673 1.00 0.00 C ATOM 968 C LYS A 575 22.916 15.643 39.055 1.00 0.00 C ATOM 969 O LYS A 575 23.040 16.000 37.883 1.00 0.00 O ATOM 970 CB LYS A 575 24.857 15.293 40.699 1.00 0.00 C ATOM 971 CG LYS A 575 25.703 14.217 41.407 1.00 0.00 C ATOM 972 CD LYS A 575 26.872 14.760 42.231 1.00 0.00 C ATOM 973 CE LYS A 575 26.491 15.606 43.444 1.00 0.00 C ATOM 974 NZ LYS A 575 25.618 14.882 44.399 1.00 0.00 N ATOM 0 H LYS A 575 25.547 14.452 38.401 1.00 0.00 H new ATOM 0 HA LYS A 575 23.282 13.925 40.202 1.00 0.00 H new ATOM 0 HB2 LYS A 575 25.511 16.006 40.197 1.00 0.00 H new ATOM 0 HB3 LYS A 575 24.281 15.853 41.436 1.00 0.00 H new ATOM 0 HG2 LYS A 575 25.053 13.637 42.062 1.00 0.00 H new ATOM 0 HG3 LYS A 575 26.094 13.530 40.656 1.00 0.00 H new ATOM 0 HD2 LYS A 575 27.474 13.918 42.573 1.00 0.00 H new ATOM 0 HD3 LYS A 575 27.506 15.360 41.577 1.00 0.00 H new ATOM 0 HE2 LYS A 575 27.398 15.925 43.958 1.00 0.00 H new ATOM 0 HE3 LYS A 575 25.982 16.509 43.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 25.447 15.479 45.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 24.712 14.659 43.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 26.083 14.000 44.694 1.00 0.00 H new ATOM 988 N GLU A 576 21.927 16.071 39.838 1.00 0.00 N ATOM 989 CA GLU A 576 20.766 16.860 39.391 1.00 0.00 C ATOM 990 C GLU A 576 21.122 18.177 38.677 1.00 0.00 C ATOM 991 O GLU A 576 21.402 19.193 39.316 1.00 0.00 O ATOM 992 CB GLU A 576 19.772 17.063 40.548 1.00 0.00 C ATOM 993 CG GLU A 576 20.365 17.603 41.862 1.00 0.00 C ATOM 994 CD GLU A 576 20.961 16.560 42.815 1.00 0.00 C ATOM 995 OE1 GLU A 576 21.398 16.962 43.921 1.00 0.00 O ATOM 996 OE2 GLU A 576 21.013 15.346 42.487 1.00 0.00 O ATOM 0 H GLU A 576 21.906 15.874 40.839 1.00 0.00 H new ATOM 0 HA GLU A 576 20.277 16.269 38.617 1.00 0.00 H new ATOM 0 HB2 GLU A 576 18.993 17.749 40.215 1.00 0.00 H new ATOM 0 HB3 GLU A 576 19.288 16.109 40.756 1.00 0.00 H new ATOM 0 HG2 GLU A 576 21.143 18.326 41.615 1.00 0.00 H new ATOM 0 HG3 GLU A 576 19.583 18.145 42.393 1.00 0.00 H new ATOM 1003 N LEU A 577 21.085 18.178 37.339 1.00 0.00 N ATOM 1004 CA LEU A 577 21.523 19.303 36.502 1.00 0.00 C ATOM 1005 C LEU A 577 20.784 20.598 36.860 1.00 0.00 C ATOM 1006 O LEU A 577 21.409 21.639 37.058 1.00 0.00 O ATOM 1007 CB LEU A 577 21.310 18.916 35.026 1.00 0.00 C ATOM 1008 CG LEU A 577 21.596 20.039 34.008 1.00 0.00 C ATOM 1009 CD1 LEU A 577 23.068 20.448 33.972 1.00 0.00 C ATOM 1010 CD2 LEU A 577 21.161 19.654 32.597 1.00 0.00 C ATOM 0 H LEU A 577 20.744 17.384 36.798 1.00 0.00 H new ATOM 0 HA LEU A 577 22.580 19.501 36.680 1.00 0.00 H new ATOM 0 HB2 LEU A 577 21.950 18.065 34.794 1.00 0.00 H new ATOM 0 HB3 LEU A 577 20.279 18.585 34.898 1.00 0.00 H new ATOM 0 HG LEU A 577 21.008 20.890 34.352 1.00 0.00 H new ATOM 0 HD11 LEU A 577 23.207 21.241 33.238 1.00 0.00 H new ATOM 0 HD12 LEU A 577 23.370 20.807 34.956 1.00 0.00 H new ATOM 0 HD13 LEU A 577 23.678 19.588 33.697 1.00 0.00 H new ATOM 0 HD21 LEU A 577 21.381 20.473 31.912 1.00 0.00 H new ATOM 0 HD22 LEU A 577 21.701 18.762 32.280 1.00 0.00 H new ATOM 0 HD23 LEU A 577 20.090 19.452 32.589 1.00 0.00 H new ATOM 1022 N GLU A 578 19.461 20.516 37.012 1.00 0.00 N ATOM 1023 CA GLU A 578 18.584 21.651 37.330 1.00 0.00 C ATOM 1024 C GLU A 578 18.853 22.323 38.687 1.00 0.00 C ATOM 1025 O GLU A 578 18.388 23.441 38.904 1.00 0.00 O ATOM 1026 CB GLU A 578 17.116 21.211 37.216 1.00 0.00 C ATOM 1027 CG GLU A 578 16.680 20.157 38.254 1.00 0.00 C ATOM 1028 CD GLU A 578 15.410 19.397 37.840 1.00 0.00 C ATOM 1029 OE1 GLU A 578 14.676 19.864 36.936 1.00 0.00 O ATOM 1030 OE2 GLU A 578 15.129 18.305 38.400 1.00 0.00 O ATOM 0 H GLU A 578 18.954 19.636 36.915 1.00 0.00 H new ATOM 0 HA GLU A 578 18.812 22.423 36.595 1.00 0.00 H new ATOM 0 HB2 GLU A 578 16.478 22.089 37.319 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.947 20.810 36.217 1.00 0.00 H new ATOM 0 HG2 GLU A 578 17.491 19.444 38.403 1.00 0.00 H new ATOM 0 HG3 GLU A 578 16.507 20.648 39.212 1.00 0.00 H new ATOM 1037 N LYS A 579 19.618 21.687 39.583 1.00 0.00 N ATOM 1038 CA LYS A 579 20.042 22.252 40.880 1.00 0.00 C ATOM 1039 C LYS A 579 21.541 22.519 40.961 1.00 0.00 C ATOM 1040 O LYS A 579 21.954 23.514 41.559 1.00 0.00 O ATOM 1041 CB LYS A 579 19.613 21.321 42.022 1.00 0.00 C ATOM 1042 CG LYS A 579 18.096 21.155 42.198 1.00 0.00 C ATOM 1043 CD LYS A 579 17.392 22.489 42.494 1.00 0.00 C ATOM 1044 CE LYS A 579 15.927 22.319 42.906 1.00 0.00 C ATOM 1045 NZ LYS A 579 15.788 21.673 44.229 1.00 0.00 N ATOM 0 H LYS A 579 19.970 20.743 39.427 1.00 0.00 H new ATOM 0 HA LYS A 579 19.548 23.219 40.976 1.00 0.00 H new ATOM 0 HB2 LYS A 579 20.052 20.338 41.852 1.00 0.00 H new ATOM 0 HB3 LYS A 579 20.031 21.700 42.954 1.00 0.00 H new ATOM 0 HG2 LYS A 579 17.674 20.717 41.294 1.00 0.00 H new ATOM 0 HG3 LYS A 579 17.901 20.456 43.011 1.00 0.00 H new ATOM 0 HD2 LYS A 579 17.929 23.007 43.289 1.00 0.00 H new ATOM 0 HD3 LYS A 579 17.443 23.123 41.609 1.00 0.00 H new ATOM 0 HE2 LYS A 579 15.442 23.295 42.928 1.00 0.00 H new ATOM 0 HE3 LYS A 579 15.408 21.722 42.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 14.795 21.716 44.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 16.087 20.679 44.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 16.384 22.169 44.922 1.00 0.00 H new ATOM 1059 N CYS A 580 22.352 21.661 40.346 1.00 0.00 N ATOM 1060 CA CYS A 580 23.800 21.826 40.250 1.00 0.00 C ATOM 1061 C CYS A 580 24.194 23.030 39.375 1.00 0.00 C ATOM 1062 O CYS A 580 25.287 23.567 39.552 1.00 0.00 O ATOM 1063 CB CYS A 580 24.417 20.527 39.711 1.00 0.00 C ATOM 1064 SG CYS A 580 24.160 19.156 40.875 1.00 0.00 S ATOM 0 H CYS A 580 22.013 20.813 39.891 1.00 0.00 H new ATOM 0 HA CYS A 580 24.190 22.032 41.247 1.00 0.00 H new ATOM 0 HB2 CYS A 580 23.971 20.280 38.748 1.00 0.00 H new ATOM 0 HB3 CYS A 580 25.484 20.670 39.541 1.00 0.00 H new ATOM 0 HG CYS A 580 23.017 18.587 40.630 1.00 0.00 H new ATOM 1070 N ARG A 581 23.323 23.460 38.447 1.00 0.00 N ATOM 1071 CA ARG A 581 23.532 24.658 37.622 1.00 0.00 C ATOM 1072 C ARG A 581 23.466 25.962 38.419 1.00 0.00 C ATOM 1073 O ARG A 581 22.698 26.101 39.376 1.00 0.00 O ATOM 1074 CB ARG A 581 22.562 24.698 36.426 1.00 0.00 C ATOM 1075 CG ARG A 581 21.079 24.944 36.777 1.00 0.00 C ATOM 1076 CD ARG A 581 20.256 24.944 35.483 1.00 0.00 C ATOM 1077 NE ARG A 581 18.803 25.086 35.717 1.00 0.00 N ATOM 1078 CZ ARG A 581 17.814 24.474 35.083 1.00 0.00 C ATOM 1079 NH1 ARG A 581 17.999 23.571 34.167 1.00 0.00 N ATOM 1080 NH2 ARG A 581 16.584 24.791 35.349 1.00 0.00 N ATOM 0 H ARG A 581 22.446 22.980 38.248 1.00 0.00 H new ATOM 0 HA ARG A 581 24.550 24.579 37.240 1.00 0.00 H new ATOM 0 HB2 ARG A 581 22.889 25.481 35.742 1.00 0.00 H new ATOM 0 HB3 ARG A 581 22.637 23.753 35.888 1.00 0.00 H new ATOM 0 HG2 ARG A 581 20.718 24.169 37.453 1.00 0.00 H new ATOM 0 HG3 ARG A 581 20.967 25.897 37.295 1.00 0.00 H new ATOM 0 HD2 ARG A 581 20.596 25.759 34.844 1.00 0.00 H new ATOM 0 HD3 ARG A 581 20.441 24.016 34.942 1.00 0.00 H new ATOM 0 HE ARG A 581 18.529 25.734 36.456 1.00 0.00 H new ATOM 0 HH11 ARG A 581 18.946 23.300 33.902 1.00 0.00 H new ATOM 0 HH12 ARG A 581 17.197 23.134 33.713 1.00 0.00 H new ATOM 0 HH21 ARG A 581 16.381 25.509 36.044 1.00 0.00 H new ATOM 0 HH22 ARG A 581 15.820 24.322 34.863 1.00 0.00 H new ATOM 1094 N GLY A 582 24.222 26.943 37.938 1.00 0.00 N ATOM 1095 CA GLY A 582 24.229 28.311 38.459 1.00 0.00 C ATOM 1096 C GLY A 582 24.882 29.327 37.523 1.00 0.00 C ATOM 1097 O GLY A 582 25.499 28.959 36.520 1.00 0.00 O ATOM 0 H GLY A 582 24.863 26.809 37.156 1.00 0.00 H new ATOM 0 HA2 GLY A 582 23.202 28.620 38.655 1.00 0.00 H new ATOM 0 HA3 GLY A 582 24.753 28.323 39.415 1.00 0.00 H new ATOM 1101 N VAL A 583 24.774 30.609 37.887 1.00 0.00 N ATOM 1102 CA VAL A 583 25.489 31.725 37.255 1.00 0.00 C ATOM 1103 C VAL A 583 26.813 32.030 37.955 1.00 0.00 C ATOM 1104 O VAL A 583 26.910 31.982 39.177 1.00 0.00 O ATOM 1105 CB VAL A 583 24.640 33.010 37.138 1.00 0.00 C ATOM 1106 CG1 VAL A 583 23.358 32.802 36.336 1.00 0.00 C ATOM 1107 CG2 VAL A 583 24.252 33.619 38.489 1.00 0.00 C ATOM 0 H VAL A 583 24.169 30.909 38.652 1.00 0.00 H new ATOM 0 HA VAL A 583 25.702 31.386 36.241 1.00 0.00 H new ATOM 0 HB VAL A 583 25.299 33.702 36.614 1.00 0.00 H new ATOM 0 HG11 VAL A 583 22.803 33.739 36.288 1.00 0.00 H new ATOM 0 HG12 VAL A 583 23.609 32.477 35.326 1.00 0.00 H new ATOM 0 HG13 VAL A 583 22.745 32.042 36.820 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.657 34.518 38.326 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.668 32.897 39.060 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.154 33.877 39.044 1.00 0.00 H new ATOM 1117 N PHE A 584 27.827 32.400 37.181 1.00 0.00 N ATOM 1118 CA PHE A 584 29.149 32.808 37.671 1.00 0.00 C ATOM 1119 C PHE A 584 29.746 34.024 36.927 1.00 0.00 C ATOM 1120 O PHE A 584 29.398 34.251 35.763 1.00 0.00 O ATOM 1121 CB PHE A 584 30.110 31.613 37.679 1.00 0.00 C ATOM 1122 CG PHE A 584 30.275 30.931 36.336 1.00 0.00 C ATOM 1123 CD1 PHE A 584 29.386 29.917 35.933 1.00 0.00 C ATOM 1124 CD2 PHE A 584 31.318 31.329 35.480 1.00 0.00 C ATOM 1125 CE1 PHE A 584 29.554 29.288 34.689 1.00 0.00 C ATOM 1126 CE2 PHE A 584 31.477 30.710 34.230 1.00 0.00 C ATOM 1127 CZ PHE A 584 30.604 29.679 33.841 1.00 0.00 C ATOM 0 H PHE A 584 27.755 32.427 36.164 1.00 0.00 H new ATOM 0 HA PHE A 584 29.007 33.150 38.696 1.00 0.00 H new ATOM 0 HB2 PHE A 584 31.087 31.951 38.023 1.00 0.00 H new ATOM 0 HB3 PHE A 584 29.753 30.881 38.403 1.00 0.00 H new ATOM 0 HD1 PHE A 584 28.574 29.622 36.581 1.00 0.00 H new ATOM 0 HD2 PHE A 584 31.997 32.112 35.785 1.00 0.00 H new ATOM 0 HE1 PHE A 584 28.877 28.504 34.384 1.00 0.00 H new ATOM 0 HE2 PHE A 584 32.269 31.026 33.568 1.00 0.00 H new ATOM 0 HZ PHE A 584 30.741 29.187 32.889 1.00 0.00 H new ATOM 1137 N PRO A 585 30.647 34.807 37.557 1.00 0.00 N ATOM 1138 CA PRO A 585 31.424 35.839 36.868 1.00 0.00 C ATOM 1139 C PRO A 585 32.381 35.197 35.855 1.00 0.00 C ATOM 1140 O PRO A 585 33.327 34.508 36.236 1.00 0.00 O ATOM 1141 CB PRO A 585 32.168 36.584 37.976 1.00 0.00 C ATOM 1142 CG PRO A 585 32.297 35.564 39.104 1.00 0.00 C ATOM 1143 CD PRO A 585 31.048 34.709 38.960 1.00 0.00 C ATOM 0 HA PRO A 585 30.800 36.523 36.292 1.00 0.00 H new ATOM 0 HB2 PRO A 585 33.146 36.926 37.637 1.00 0.00 H new ATOM 0 HB3 PRO A 585 31.616 37.466 38.300 1.00 0.00 H new ATOM 0 HG2 PRO A 585 33.204 34.968 39.003 1.00 0.00 H new ATOM 0 HG3 PRO A 585 32.340 36.049 40.079 1.00 0.00 H new ATOM 0 HD2 PRO A 585 31.251 33.674 39.236 1.00 0.00 H new ATOM 0 HD3 PRO A 585 30.255 35.065 39.618 1.00 0.00 H new ATOM 1151 N GLU A 586 32.168 35.434 34.557 1.00 0.00 N ATOM 1152 CA GLU A 586 32.955 34.790 33.483 1.00 0.00 C ATOM 1153 C GLU A 586 34.461 35.118 33.586 1.00 0.00 C ATOM 1154 O GLU A 586 35.315 34.342 33.149 1.00 0.00 O ATOM 1155 CB GLU A 586 32.396 35.246 32.109 1.00 0.00 C ATOM 1156 CG GLU A 586 32.828 36.681 31.734 1.00 0.00 C ATOM 1157 CD GLU A 586 32.161 37.310 30.502 1.00 0.00 C ATOM 1158 OE1 GLU A 586 32.497 38.476 30.180 1.00 0.00 O ATOM 1159 OE2 GLU A 586 31.344 36.665 29.808 1.00 0.00 O ATOM 0 H GLU A 586 31.451 36.073 34.215 1.00 0.00 H new ATOM 0 HA GLU A 586 32.860 33.709 33.589 1.00 0.00 H new ATOM 0 HB2 GLU A 586 32.735 34.556 31.337 1.00 0.00 H new ATOM 0 HB3 GLU A 586 31.307 35.192 32.129 1.00 0.00 H new ATOM 0 HG2 GLU A 586 32.636 37.327 32.590 1.00 0.00 H new ATOM 0 HG3 GLU A 586 33.906 36.679 31.572 1.00 0.00 H new ATOM 1166 N ASN A 587 34.782 36.265 34.194 1.00 0.00 N ATOM 1167 CA ASN A 587 36.124 36.800 34.408 1.00 0.00 C ATOM 1168 C ASN A 587 36.935 36.037 35.473 1.00 0.00 C ATOM 1169 O ASN A 587 38.165 36.105 35.484 1.00 0.00 O ATOM 1170 CB ASN A 587 36.012 38.306 34.720 1.00 0.00 C ATOM 1171 CG ASN A 587 35.035 38.681 35.825 1.00 0.00 C ATOM 1172 OD1 ASN A 587 33.850 38.384 35.768 1.00 0.00 O ATOM 1173 ND2 ASN A 587 35.464 39.409 36.822 1.00 0.00 N ATOM 0 H ASN A 587 34.063 36.881 34.573 1.00 0.00 H new ATOM 0 HA ASN A 587 36.695 36.659 33.491 1.00 0.00 H new ATOM 0 HB2 ASN A 587 37.000 38.676 34.993 1.00 0.00 H new ATOM 0 HB3 ASN A 587 35.718 38.826 33.808 1.00 0.00 H new ATOM 0 HD21 ASN A 587 34.813 39.723 37.542 1.00 0.00 H new ATOM 0 HD22 ASN A 587 36.450 39.663 36.881 1.00 0.00 H new ATOM 1180 N PHE A 588 36.264 35.262 36.333 1.00 0.00 N ATOM 1181 CA PHE A 588 36.909 34.270 37.200 1.00 0.00 C ATOM 1182 C PHE A 588 37.436 33.008 36.511 1.00 0.00 C ATOM 1183 O PHE A 588 38.175 32.233 37.116 1.00 0.00 O ATOM 1184 CB PHE A 588 36.051 33.952 38.433 1.00 0.00 C ATOM 1185 CG PHE A 588 36.110 34.996 39.530 1.00 0.00 C ATOM 1186 CD1 PHE A 588 36.707 34.686 40.765 1.00 0.00 C ATOM 1187 CD2 PHE A 588 35.553 36.273 39.332 1.00 0.00 C ATOM 1188 CE1 PHE A 588 36.730 35.644 41.796 1.00 0.00 C ATOM 1189 CE2 PHE A 588 35.563 37.222 40.363 1.00 0.00 C ATOM 1190 CZ PHE A 588 36.144 36.906 41.600 1.00 0.00 C ATOM 0 H PHE A 588 35.251 35.306 36.447 1.00 0.00 H new ATOM 0 HA PHE A 588 37.822 34.765 37.532 1.00 0.00 H new ATOM 0 HB2 PHE A 588 35.014 33.834 38.117 1.00 0.00 H new ATOM 0 HB3 PHE A 588 36.370 32.994 38.844 1.00 0.00 H new ATOM 0 HD1 PHE A 588 37.148 33.713 40.922 1.00 0.00 H new ATOM 0 HD2 PHE A 588 35.114 36.524 38.378 1.00 0.00 H new ATOM 0 HE1 PHE A 588 37.199 35.409 42.740 1.00 0.00 H new ATOM 0 HE2 PHE A 588 35.124 38.196 40.205 1.00 0.00 H new ATOM 0 HZ PHE A 588 36.141 37.631 42.400 1.00 0.00 H new ATOM 1200 N THR A 589 37.058 32.788 35.250 1.00 0.00 N ATOM 1201 CA THR A 589 37.360 31.587 34.468 1.00 0.00 C ATOM 1202 C THR A 589 37.981 31.962 33.121 1.00 0.00 C ATOM 1203 O THR A 589 37.966 33.128 32.733 1.00 0.00 O ATOM 1204 CB THR A 589 36.072 30.776 34.242 1.00 0.00 C ATOM 1205 OG1 THR A 589 35.073 31.537 33.591 1.00 0.00 O ATOM 1206 CG2 THR A 589 35.449 30.218 35.526 1.00 0.00 C ATOM 0 H THR A 589 36.511 33.470 34.724 1.00 0.00 H new ATOM 0 HA THR A 589 38.077 30.982 35.023 1.00 0.00 H new ATOM 0 HB THR A 589 36.399 29.944 33.619 1.00 0.00 H new ATOM 0 HG1 THR A 589 35.388 32.458 33.473 1.00 0.00 H new ATOM 0 HG21 THR A 589 34.546 29.660 35.279 1.00 0.00 H new ATOM 0 HG22 THR A 589 36.162 29.556 36.018 1.00 0.00 H new ATOM 0 HG23 THR A 589 35.196 31.041 36.195 1.00 0.00 H new ATOM 1214 N GLU A 590 38.526 30.984 32.399 1.00 0.00 N ATOM 1215 CA GLU A 590 39.061 31.161 31.045 1.00 0.00 C ATOM 1216 C GLU A 590 38.350 30.213 30.073 1.00 0.00 C ATOM 1217 O GLU A 590 38.116 29.050 30.403 1.00 0.00 O ATOM 1218 CB GLU A 590 40.598 31.008 31.023 1.00 0.00 C ATOM 1219 CG GLU A 590 41.142 29.566 31.082 1.00 0.00 C ATOM 1220 CD GLU A 590 42.672 29.506 31.258 1.00 0.00 C ATOM 1221 OE1 GLU A 590 43.205 28.445 31.675 1.00 0.00 O ATOM 1222 OE2 GLU A 590 43.373 30.512 30.970 1.00 0.00 O ATOM 0 H GLU A 590 38.611 30.028 32.743 1.00 0.00 H new ATOM 0 HA GLU A 590 38.859 32.179 30.711 1.00 0.00 H new ATOM 0 HB2 GLU A 590 40.976 31.479 30.116 1.00 0.00 H new ATOM 0 HB3 GLU A 590 41.009 31.564 31.866 1.00 0.00 H new ATOM 0 HG2 GLU A 590 40.666 29.038 31.908 1.00 0.00 H new ATOM 0 HG3 GLU A 590 40.866 29.042 30.167 1.00 0.00 H new ATOM 1229 N ARG A 591 37.993 30.705 28.884 1.00 0.00 N ATOM 1230 CA ARG A 591 37.350 29.927 27.815 1.00 0.00 C ATOM 1231 C ARG A 591 38.306 28.830 27.317 1.00 0.00 C ATOM 1232 O ARG A 591 39.475 29.117 27.028 1.00 0.00 O ATOM 1233 CB ARG A 591 36.942 30.886 26.678 1.00 0.00 C ATOM 1234 CG ARG A 591 35.929 30.276 25.694 1.00 0.00 C ATOM 1235 CD ARG A 591 34.499 30.220 26.227 1.00 0.00 C ATOM 1236 NE ARG A 591 33.908 31.567 26.393 1.00 0.00 N ATOM 1237 CZ ARG A 591 33.155 32.231 25.527 1.00 0.00 C ATOM 1238 NH1 ARG A 591 32.918 31.792 24.325 1.00 0.00 N ATOM 1239 NH2 ARG A 591 32.618 33.373 25.847 1.00 0.00 N ATOM 0 H ARG A 591 38.146 31.681 28.629 1.00 0.00 H new ATOM 0 HA ARG A 591 36.454 29.433 28.192 1.00 0.00 H new ATOM 0 HB2 ARG A 591 36.516 31.790 27.112 1.00 0.00 H new ATOM 0 HB3 ARG A 591 37.834 31.186 26.129 1.00 0.00 H new ATOM 0 HG2 ARG A 591 35.939 30.857 24.772 1.00 0.00 H new ATOM 0 HG3 ARG A 591 36.250 29.266 25.438 1.00 0.00 H new ATOM 0 HD2 ARG A 591 33.882 29.637 25.544 1.00 0.00 H new ATOM 0 HD3 ARG A 591 34.491 29.702 27.186 1.00 0.00 H new ATOM 0 HE ARG A 591 34.103 32.039 27.276 1.00 0.00 H new ATOM 0 HH11 ARG A 591 33.318 30.905 24.018 1.00 0.00 H new ATOM 0 HH12 ARG A 591 32.333 32.335 23.690 1.00 0.00 H new ATOM 0 HH21 ARG A 591 32.774 33.768 26.774 1.00 0.00 H new ATOM 0 HH22 ARG A 591 32.041 33.873 25.170 1.00 0.00 H new ATOM 1253 N VAL A 592 37.812 27.598 27.209 1.00 0.00 N ATOM 1254 CA VAL A 592 38.574 26.395 26.800 1.00 0.00 C ATOM 1255 C VAL A 592 37.866 25.689 25.620 1.00 0.00 C ATOM 1256 O VAL A 592 36.658 25.877 25.425 1.00 0.00 O ATOM 1257 CB VAL A 592 38.726 25.411 27.983 1.00 0.00 C ATOM 1258 CG1 VAL A 592 39.830 25.869 28.943 1.00 0.00 C ATOM 1259 CG2 VAL A 592 37.433 25.225 28.773 1.00 0.00 C ATOM 0 H VAL A 592 36.834 27.391 27.409 1.00 0.00 H new ATOM 0 HA VAL A 592 39.567 26.714 26.484 1.00 0.00 H new ATOM 0 HB VAL A 592 38.991 24.453 27.537 1.00 0.00 H new ATOM 0 HG11 VAL A 592 39.915 25.159 29.765 1.00 0.00 H new ATOM 0 HG12 VAL A 592 40.779 25.921 28.409 1.00 0.00 H new ATOM 0 HG13 VAL A 592 39.583 26.854 29.339 1.00 0.00 H new ATOM 0 HG21 VAL A 592 37.603 24.524 29.590 1.00 0.00 H new ATOM 0 HG22 VAL A 592 37.114 26.185 29.180 1.00 0.00 H new ATOM 0 HG23 VAL A 592 36.657 24.834 28.115 1.00 0.00 H new ATOM 1328 N PRO B1731 40.270 39.273 40.457 1.00 0.00 N ATOM 1329 CA PRO B1731 39.055 39.868 39.900 1.00 0.00 C ATOM 1330 C PRO B1731 37.933 40.043 40.941 1.00 0.00 C ATOM 1331 O PRO B1731 37.964 39.464 42.031 1.00 0.00 O ATOM 1332 CB PRO B1731 38.645 38.921 38.766 1.00 0.00 C ATOM 1333 CG PRO B1731 39.141 37.559 39.244 1.00 0.00 C ATOM 1334 CD PRO B1731 40.433 37.904 39.979 1.00 0.00 C ATOM 0 HA PRO B1731 39.239 40.883 39.547 1.00 0.00 H new ATOM 0 HB2 PRO B1731 37.566 38.924 38.611 1.00 0.00 H new ATOM 0 HB3 PRO B1731 39.104 39.206 37.819 1.00 0.00 H new ATOM 0 HG2 PRO B1731 38.419 37.075 39.902 1.00 0.00 H new ATOM 0 HG3 PRO B1731 39.320 36.879 38.411 1.00 0.00 H new ATOM 0 HD2 PRO B1731 40.605 37.219 40.809 1.00 0.00 H new ATOM 0 HD3 PRO B1731 41.294 37.822 39.315 1.00 0.00 H new ATOM 1342 N VAL B1732 36.907 40.817 40.567 1.00 0.00 N ATOM 1343 CA VAL B1732 35.645 41.009 41.309 1.00 0.00 C ATOM 1344 C VAL B1732 34.416 40.772 40.422 1.00 0.00 C ATOM 1345 O VAL B1732 34.417 41.122 39.236 1.00 0.00 O ATOM 1346 CB VAL B1732 35.587 42.379 42.023 1.00 0.00 C ATOM 1347 CG1 VAL B1732 34.444 42.418 43.045 1.00 0.00 C ATOM 1348 CG2 VAL B1732 36.889 42.721 42.762 1.00 0.00 C ATOM 0 H VAL B1732 36.930 41.353 39.700 1.00 0.00 H new ATOM 0 HA VAL B1732 35.625 40.249 42.090 1.00 0.00 H new ATOM 0 HB VAL B1732 35.426 43.113 41.234 1.00 0.00 H new ATOM 0 HG11 VAL B1732 34.425 43.392 43.533 1.00 0.00 H new ATOM 0 HG12 VAL B1732 33.495 42.249 42.536 1.00 0.00 H new ATOM 0 HG13 VAL B1732 34.598 41.640 43.793 1.00 0.00 H new ATOM 0 HG21 VAL B1732 36.789 43.694 43.244 1.00 0.00 H new ATOM 0 HG22 VAL B1732 37.089 41.961 43.517 1.00 0.00 H new ATOM 0 HG23 VAL B1732 37.714 42.752 42.050 1.00 0.00 H new ATOM 1358 N ALA B1733 33.373 40.130 40.961 1.00 0.00 N ATOM 1359 CA ALA B1733 32.160 39.808 40.208 1.00 0.00 C ATOM 1360 C ALA B1733 31.352 41.067 39.802 1.00 0.00 C ATOM 1361 O ALA B1733 31.190 41.982 40.621 1.00 0.00 O ATOM 1362 CB ALA B1733 31.308 38.833 41.029 1.00 0.00 C ATOM 0 H ALA B1733 33.348 39.820 41.932 1.00 0.00 H new ATOM 0 HA ALA B1733 32.455 39.337 39.271 1.00 0.00 H new ATOM 0 HB1 ALA B1733 30.402 38.587 40.476 1.00 0.00 H new ATOM 0 HB2 ALA B1733 31.877 37.922 41.217 1.00 0.00 H new ATOM 0 HB3 ALA B1733 31.039 39.295 41.979 1.00 0.00 H new ATOM 1368 N PRO B1734 30.798 41.133 38.575 1.00 0.00 N ATOM 1369 CA PRO B1734 30.042 42.296 38.106 1.00 0.00 C ATOM 1370 C PRO B1734 28.624 42.383 38.709 1.00 0.00 C ATOM 1371 O PRO B1734 28.124 41.391 39.249 1.00 0.00 O ATOM 1372 CB PRO B1734 30.043 42.183 36.584 1.00 0.00 C ATOM 1373 CG PRO B1734 30.184 40.693 36.298 1.00 0.00 C ATOM 1374 CD PRO B1734 30.877 40.118 37.532 1.00 0.00 C ATOM 0 HA PRO B1734 30.503 43.228 38.434 1.00 0.00 H new ATOM 0 HB2 PRO B1734 29.122 42.581 36.158 1.00 0.00 H new ATOM 0 HB3 PRO B1734 30.866 42.748 36.147 1.00 0.00 H new ATOM 0 HG2 PRO B1734 29.211 40.228 36.139 1.00 0.00 H new ATOM 0 HG3 PRO B1734 30.772 40.518 35.397 1.00 0.00 H new ATOM 0 HD2 PRO B1734 30.392 39.196 37.853 1.00 0.00 H new ATOM 0 HD3 PRO B1734 31.916 39.871 37.312 1.00 0.00 H new ATOM 1382 N PRO B1735 27.954 43.550 38.648 1.00 0.00 N ATOM 1383 CA PRO B1735 26.603 43.738 39.182 1.00 0.00 C ATOM 1384 C PRO B1735 25.540 42.975 38.371 1.00 0.00 C ATOM 1385 O PRO B1735 25.678 42.797 37.156 1.00 0.00 O ATOM 1386 CB PRO B1735 26.366 45.252 39.162 1.00 0.00 C ATOM 1387 CG PRO B1735 27.252 45.739 38.018 1.00 0.00 C ATOM 1388 CD PRO B1735 28.448 44.791 38.070 1.00 0.00 C ATOM 0 HA PRO B1735 26.517 43.332 40.190 1.00 0.00 H new ATOM 0 HB2 PRO B1735 25.317 45.491 38.987 1.00 0.00 H new ATOM 0 HB3 PRO B1735 26.644 45.714 40.109 1.00 0.00 H new ATOM 0 HG2 PRO B1735 26.737 45.684 37.059 1.00 0.00 H new ATOM 0 HG3 PRO B1735 27.555 46.777 38.158 1.00 0.00 H new ATOM 0 HD2 PRO B1735 28.855 44.622 37.073 1.00 0.00 H new ATOM 0 HD3 PRO B1735 29.252 45.210 38.675 1.00 0.00 H new