USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 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 Set 1.1: A 575 LYS NZ :NH3+ -164:sc= 1.2 (180deg=1.02) USER MOD Set 1.2: A 580 CYS SG : rot 92:sc= 0.0807 USER MOD Single : A 522 MET CE :methyl 178:sc= -0.147 (180deg=-0.153) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 526 GLN : amide:sc= 0.0589 X(o=0.059,f=-0.37) USER MOD Single : A 528 GLN : amide:sc= 0.403 X(o=0.4,f=-0.094) USER MOD Single : A 529 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 531 TYR OH : rot -157:sc= 0.756 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot -44:sc= 0.156 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 564 MET CE :methyl -171:sc= -0.514 (180deg=-0.927) USER MOD Single : A 567 LYS NZ :NH3+ -101:sc= 1.26 (180deg=-0.0267) USER MOD Single : A 569 SER OG : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 573 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 574 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 ASN : amide:sc= 0.958 K(o=0.96,f=-3.7!) USER MOD Single : A 589 THR OG1 : rot 3:sc= 0.75 USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 517 28.176 15.623 27.178 1.00 0.00 N ATOM 66 CA LEU A 517 27.986 17.005 27.627 1.00 0.00 C ATOM 67 C LEU A 517 26.502 17.400 27.699 1.00 0.00 C ATOM 68 O LEU A 517 25.674 16.809 26.998 1.00 0.00 O ATOM 69 CB LEU A 517 28.749 17.940 26.681 1.00 0.00 C ATOM 70 CG LEU A 517 30.270 17.975 26.898 1.00 0.00 C ATOM 71 CD1 LEU A 517 30.792 19.214 26.197 1.00 0.00 C ATOM 72 CD2 LEU A 517 30.729 18.148 28.345 1.00 0.00 C ATOM 0 HA LEU A 517 28.377 17.093 28.641 1.00 0.00 H new ATOM 0 HB2 LEU A 517 28.550 17.636 25.653 1.00 0.00 H new ATOM 0 HB3 LEU A 517 28.356 18.950 26.796 1.00 0.00 H new ATOM 0 HG LEU A 517 30.635 17.014 26.534 1.00 0.00 H new ATOM 0 HD11 LEU A 517 31.872 19.277 26.327 1.00 0.00 H new ATOM 0 HD12 LEU A 517 30.557 19.157 25.134 1.00 0.00 H new ATOM 0 HD13 LEU A 517 30.322 20.099 26.625 1.00 0.00 H new ATOM 0 HD21 LEU A 517 31.818 18.159 28.382 1.00 0.00 H new ATOM 0 HD22 LEU A 517 30.343 19.088 28.739 1.00 0.00 H new ATOM 0 HD23 LEU A 517 30.354 17.320 28.947 1.00 0.00 H new ATOM 84 N PRO A 518 26.163 18.401 28.532 1.00 0.00 N ATOM 85 CA PRO A 518 24.787 18.742 28.876 1.00 0.00 C ATOM 86 C PRO A 518 23.963 19.265 27.688 1.00 0.00 C ATOM 87 O PRO A 518 24.529 19.757 26.702 1.00 0.00 O ATOM 88 CB PRO A 518 24.884 19.754 30.027 1.00 0.00 C ATOM 89 CG PRO A 518 26.274 20.364 29.879 1.00 0.00 C ATOM 90 CD PRO A 518 27.094 19.233 29.278 1.00 0.00 C ATOM 0 HA PRO A 518 24.239 17.850 29.178 1.00 0.00 H new ATOM 0 HB2 PRO A 518 24.106 20.514 29.954 1.00 0.00 H new ATOM 0 HB3 PRO A 518 24.764 19.268 30.995 1.00 0.00 H new ATOM 0 HG2 PRO A 518 26.261 21.240 29.230 1.00 0.00 H new ATOM 0 HG3 PRO A 518 26.676 20.685 30.840 1.00 0.00 H new ATOM 0 HD2 PRO A 518 27.874 19.624 28.625 1.00 0.00 H new ATOM 0 HD3 PRO A 518 27.591 18.656 30.058 1.00 0.00 H new ATOM 98 N PRO A 519 22.623 19.180 27.775 1.00 0.00 N ATOM 99 CA PRO A 519 21.722 19.680 26.747 1.00 0.00 C ATOM 100 C PRO A 519 21.894 21.194 26.598 1.00 0.00 C ATOM 101 O PRO A 519 21.972 21.930 27.586 1.00 0.00 O ATOM 102 CB PRO A 519 20.312 19.287 27.199 1.00 0.00 C ATOM 103 CG PRO A 519 20.438 19.254 28.718 1.00 0.00 C ATOM 104 CD PRO A 519 21.858 18.737 28.933 1.00 0.00 C ATOM 0 HA PRO A 519 21.928 19.257 25.764 1.00 0.00 H new ATOM 0 HB2 PRO A 519 19.566 20.011 26.871 1.00 0.00 H new ATOM 0 HB3 PRO A 519 20.014 18.319 26.797 1.00 0.00 H new ATOM 0 HG2 PRO A 519 20.297 20.242 29.156 1.00 0.00 H new ATOM 0 HG3 PRO A 519 19.696 18.596 29.170 1.00 0.00 H new ATOM 0 HD2 PRO A 519 22.282 19.132 29.856 1.00 0.00 H new ATOM 0 HD3 PRO A 519 21.870 17.650 29.017 1.00 0.00 H new ATOM 112 N GLY A 520 22.000 21.655 25.354 1.00 0.00 N ATOM 113 CA GLY A 520 22.267 23.057 25.041 1.00 0.00 C ATOM 114 C GLY A 520 23.712 23.519 25.268 1.00 0.00 C ATOM 115 O GLY A 520 23.971 24.702 25.070 1.00 0.00 O ATOM 0 H GLY A 520 21.902 21.063 24.529 1.00 0.00 H new ATOM 0 HA2 GLY A 520 22.007 23.235 23.998 1.00 0.00 H new ATOM 0 HA3 GLY A 520 21.606 23.679 25.645 1.00 0.00 H new ATOM 119 N PHE A 521 24.663 22.653 25.665 1.00 0.00 N ATOM 120 CA PHE A 521 26.060 23.047 25.872 1.00 0.00 C ATOM 121 C PHE A 521 26.668 23.984 24.809 1.00 0.00 C ATOM 122 O PHE A 521 26.631 23.678 23.612 1.00 0.00 O ATOM 123 CB PHE A 521 26.917 21.802 26.116 1.00 0.00 C ATOM 124 CG PHE A 521 28.404 22.053 26.136 1.00 0.00 C ATOM 125 CD1 PHE A 521 29.150 22.034 24.942 1.00 0.00 C ATOM 126 CD2 PHE A 521 29.037 22.312 27.363 1.00 0.00 C ATOM 127 CE1 PHE A 521 30.531 22.269 24.973 1.00 0.00 C ATOM 128 CE2 PHE A 521 30.422 22.542 27.391 1.00 0.00 C ATOM 129 CZ PHE A 521 31.170 22.491 26.199 1.00 0.00 C ATOM 0 H PHE A 521 24.481 21.666 25.849 1.00 0.00 H new ATOM 0 HA PHE A 521 26.058 23.676 26.762 1.00 0.00 H new ATOM 0 HB2 PHE A 521 26.625 21.357 27.067 1.00 0.00 H new ATOM 0 HB3 PHE A 521 26.697 21.069 25.340 1.00 0.00 H new ATOM 0 HD1 PHE A 521 28.657 21.838 24.001 1.00 0.00 H new ATOM 0 HD2 PHE A 521 28.463 22.334 28.278 1.00 0.00 H new ATOM 0 HE1 PHE A 521 31.100 22.279 24.055 1.00 0.00 H new ATOM 0 HE2 PHE A 521 30.914 22.758 28.328 1.00 0.00 H new ATOM 0 HZ PHE A 521 32.241 22.624 26.231 1.00 0.00 H new ATOM 139 N MET A 522 27.218 25.124 25.230 1.00 0.00 N ATOM 140 CA MET A 522 27.782 26.141 24.330 1.00 0.00 C ATOM 141 C MET A 522 29.298 26.015 24.180 1.00 0.00 C ATOM 142 O MET A 522 29.824 26.100 23.067 1.00 0.00 O ATOM 143 CB MET A 522 27.447 27.546 24.851 1.00 0.00 C ATOM 144 CG MET A 522 25.939 27.777 24.940 1.00 0.00 C ATOM 145 SD MET A 522 25.425 29.514 25.033 1.00 0.00 S ATOM 146 CE MET A 522 26.137 30.010 26.621 1.00 0.00 C ATOM 0 H MET A 522 27.287 25.374 26.217 1.00 0.00 H new ATOM 0 HA MET A 522 27.334 25.979 23.350 1.00 0.00 H new ATOM 0 HB2 MET A 522 27.894 27.684 25.835 1.00 0.00 H new ATOM 0 HB3 MET A 522 27.890 28.293 24.192 1.00 0.00 H new ATOM 0 HG2 MET A 522 25.466 27.321 24.070 1.00 0.00 H new ATOM 0 HG3 MET A 522 25.559 27.255 25.819 1.00 0.00 H new ATOM 0 HE1 MET A 522 25.933 31.066 26.797 1.00 0.00 H new ATOM 0 HE2 MET A 522 25.693 29.416 27.420 1.00 0.00 H new ATOM 0 HE3 MET A 522 27.215 29.847 26.603 1.00 0.00 H new ATOM 156 N PHE A 523 29.967 25.884 25.328 1.00 0.00 N ATOM 157 CA PHE A 523 31.413 25.815 25.528 1.00 0.00 C ATOM 158 C PHE A 523 31.788 25.449 26.963 1.00 0.00 C ATOM 159 O PHE A 523 30.951 25.502 27.853 1.00 0.00 O ATOM 160 CB PHE A 523 32.107 27.120 25.117 1.00 0.00 C ATOM 161 CG PHE A 523 31.532 28.411 25.678 1.00 0.00 C ATOM 162 CD1 PHE A 523 32.080 28.973 26.844 1.00 0.00 C ATOM 163 CD2 PHE A 523 30.488 29.084 25.015 1.00 0.00 C ATOM 164 CE1 PHE A 523 31.591 30.196 27.338 1.00 0.00 C ATOM 165 CE2 PHE A 523 29.992 30.300 25.514 1.00 0.00 C ATOM 166 CZ PHE A 523 30.550 30.862 26.672 1.00 0.00 C ATOM 0 H PHE A 523 29.467 25.818 26.215 1.00 0.00 H new ATOM 0 HA PHE A 523 31.767 25.015 24.878 1.00 0.00 H new ATOM 0 HB2 PHE A 523 33.153 27.057 25.416 1.00 0.00 H new ATOM 0 HB3 PHE A 523 32.090 27.185 24.029 1.00 0.00 H new ATOM 0 HD1 PHE A 523 32.879 28.464 27.362 1.00 0.00 H new ATOM 0 HD2 PHE A 523 30.065 28.662 24.115 1.00 0.00 H new ATOM 0 HE1 PHE A 523 32.018 30.624 28.233 1.00 0.00 H new ATOM 0 HE2 PHE A 523 29.182 30.802 25.006 1.00 0.00 H new ATOM 0 HZ PHE A 523 30.180 31.804 27.050 1.00 0.00 H new ATOM 176 N LYS A 524 33.043 25.100 27.227 1.00 0.00 N ATOM 177 CA LYS A 524 33.584 25.034 28.592 1.00 0.00 C ATOM 178 C LYS A 524 34.337 26.310 28.962 1.00 0.00 C ATOM 179 O LYS A 524 34.853 27.029 28.106 1.00 0.00 O ATOM 180 CB LYS A 524 34.515 23.834 28.734 1.00 0.00 C ATOM 181 CG LYS A 524 33.807 22.503 28.858 1.00 0.00 C ATOM 182 CD LYS A 524 34.846 21.388 28.851 1.00 0.00 C ATOM 183 CE LYS A 524 34.145 20.056 28.666 1.00 0.00 C ATOM 184 NZ LYS A 524 35.111 18.975 28.417 1.00 0.00 N ATOM 0 H LYS A 524 33.719 24.854 26.504 1.00 0.00 H new ATOM 0 HA LYS A 524 32.740 24.926 29.273 1.00 0.00 H new ATOM 0 HB2 LYS A 524 35.178 23.800 27.869 1.00 0.00 H new ATOM 0 HB3 LYS A 524 35.144 23.980 29.612 1.00 0.00 H new ATOM 0 HG2 LYS A 524 33.225 22.470 29.779 1.00 0.00 H new ATOM 0 HG3 LYS A 524 33.106 22.371 28.033 1.00 0.00 H new ATOM 0 HD2 LYS A 524 35.565 21.549 28.048 1.00 0.00 H new ATOM 0 HD3 LYS A 524 35.407 21.391 29.786 1.00 0.00 H new ATOM 0 HE2 LYS A 524 33.558 19.825 29.555 1.00 0.00 H new ATOM 0 HE3 LYS A 524 33.447 20.123 27.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 34.602 18.076 28.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 35.654 19.186 27.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 35.761 18.897 29.225 1.00 0.00 H new ATOM 198 N VAL A 525 34.505 26.506 30.260 1.00 0.00 N ATOM 199 CA VAL A 525 35.468 27.436 30.860 1.00 0.00 C ATOM 200 C VAL A 525 36.230 26.741 31.993 1.00 0.00 C ATOM 201 O VAL A 525 35.768 25.728 32.517 1.00 0.00 O ATOM 202 CB VAL A 525 34.797 28.736 31.336 1.00 0.00 C ATOM 203 CG1 VAL A 525 34.005 29.418 30.218 1.00 0.00 C ATOM 204 CG2 VAL A 525 33.862 28.414 32.500 1.00 0.00 C ATOM 0 H VAL A 525 33.956 26.005 30.958 1.00 0.00 H new ATOM 0 HA VAL A 525 36.183 27.727 30.091 1.00 0.00 H new ATOM 0 HB VAL A 525 35.581 29.426 31.650 1.00 0.00 H new ATOM 0 HG11 VAL A 525 33.549 30.331 30.600 1.00 0.00 H new ATOM 0 HG12 VAL A 525 34.676 29.664 29.395 1.00 0.00 H new ATOM 0 HG13 VAL A 525 33.225 28.745 29.862 1.00 0.00 H new ATOM 0 HG21 VAL A 525 33.381 29.330 32.845 1.00 0.00 H new ATOM 0 HG22 VAL A 525 33.101 27.707 32.170 1.00 0.00 H new ATOM 0 HG23 VAL A 525 34.435 27.976 33.317 1.00 0.00 H new ATOM 214 N GLN A 526 37.378 27.283 32.392 1.00 0.00 N ATOM 215 CA GLN A 526 38.162 26.797 33.532 1.00 0.00 C ATOM 216 C GLN A 526 38.507 27.925 34.510 1.00 0.00 C ATOM 217 O GLN A 526 39.034 28.960 34.102 1.00 0.00 O ATOM 218 CB GLN A 526 39.422 26.099 33.011 1.00 0.00 C ATOM 219 CG GLN A 526 40.157 25.333 34.120 1.00 0.00 C ATOM 220 CD GLN A 526 41.112 24.290 33.554 1.00 0.00 C ATOM 221 OE1 GLN A 526 41.541 24.346 32.406 1.00 0.00 O ATOM 222 NE2 GLN A 526 41.455 23.286 34.324 1.00 0.00 N ATOM 0 H GLN A 526 37.800 28.086 31.926 1.00 0.00 H new ATOM 0 HA GLN A 526 37.561 26.081 34.093 1.00 0.00 H new ATOM 0 HB2 GLN A 526 39.150 25.408 32.213 1.00 0.00 H new ATOM 0 HB3 GLN A 526 40.093 26.840 32.576 1.00 0.00 H new ATOM 0 HG2 GLN A 526 40.714 26.036 34.739 1.00 0.00 H new ATOM 0 HG3 GLN A 526 39.429 24.845 34.768 1.00 0.00 H new ATOM 0 HE21 GLN A 526 41.102 23.233 35.280 1.00 0.00 H new ATOM 0 HE22 GLN A 526 42.075 22.558 33.967 1.00 0.00 H new ATOM 231 N ALA A 527 38.235 27.743 35.804 1.00 0.00 N ATOM 232 CA ALA A 527 38.489 28.755 36.831 1.00 0.00 C ATOM 233 C ALA A 527 39.988 29.076 36.950 1.00 0.00 C ATOM 234 O ALA A 527 40.817 28.196 37.179 1.00 0.00 O ATOM 235 CB ALA A 527 37.855 28.303 38.150 1.00 0.00 C ATOM 0 H ALA A 527 37.829 26.882 36.171 1.00 0.00 H new ATOM 0 HA ALA A 527 38.020 29.696 36.544 1.00 0.00 H new ATOM 0 HB1 ALA A 527 38.041 29.053 38.919 1.00 0.00 H new ATOM 0 HB2 ALA A 527 36.780 28.181 38.014 1.00 0.00 H new ATOM 0 HB3 ALA A 527 38.292 27.353 38.457 1.00 0.00 H new ATOM 241 N GLN A 528 40.330 30.353 36.790 1.00 0.00 N ATOM 242 CA GLN A 528 41.653 30.908 37.089 1.00 0.00 C ATOM 243 C GLN A 528 41.727 31.327 38.566 1.00 0.00 C ATOM 244 O GLN A 528 42.765 31.191 39.215 1.00 0.00 O ATOM 245 CB GLN A 528 41.897 32.128 36.184 1.00 0.00 C ATOM 246 CG GLN A 528 41.700 31.894 34.676 1.00 0.00 C ATOM 247 CD GLN A 528 42.484 30.703 34.138 1.00 0.00 C ATOM 248 OE1 GLN A 528 43.672 30.776 33.860 1.00 0.00 O ATOM 249 NE2 GLN A 528 41.881 29.539 34.057 1.00 0.00 N ATOM 0 H GLN A 528 39.676 31.053 36.438 1.00 0.00 H new ATOM 0 HA GLN A 528 42.418 30.154 36.904 1.00 0.00 H new ATOM 0 HB2 GLN A 528 41.228 32.929 36.498 1.00 0.00 H new ATOM 0 HB3 GLN A 528 42.915 32.480 36.348 1.00 0.00 H new ATOM 0 HG2 GLN A 528 40.640 31.741 34.476 1.00 0.00 H new ATOM 0 HG3 GLN A 528 42.001 32.791 34.135 1.00 0.00 H new ATOM 0 HE21 GLN A 528 40.890 29.461 34.286 1.00 0.00 H new ATOM 0 HE22 GLN A 528 42.404 28.713 33.766 1.00 0.00 H new ATOM 258 N HIS A 529 40.591 31.777 39.105 1.00 0.00 N ATOM 259 CA HIS A 529 40.397 32.214 40.483 1.00 0.00 C ATOM 260 C HIS A 529 39.160 31.543 41.099 1.00 0.00 C ATOM 261 O HIS A 529 38.235 31.141 40.396 1.00 0.00 O ATOM 262 CB HIS A 529 40.311 33.746 40.512 1.00 0.00 C ATOM 263 CG HIS A 529 41.602 34.411 40.105 1.00 0.00 C ATOM 264 ND1 HIS A 529 42.727 34.523 40.886 1.00 0.00 N ATOM 265 CD2 HIS A 529 41.876 35.020 38.910 1.00 0.00 C ATOM 266 CE1 HIS A 529 43.655 35.195 40.183 1.00 0.00 C ATOM 267 NE2 HIS A 529 43.182 35.529 38.966 1.00 0.00 N ATOM 0 H HIS A 529 39.734 31.849 38.556 1.00 0.00 H new ATOM 0 HA HIS A 529 41.246 31.909 41.095 1.00 0.00 H new ATOM 0 HB2 HIS A 529 39.513 34.073 39.846 1.00 0.00 H new ATOM 0 HB3 HIS A 529 40.041 34.071 41.517 1.00 0.00 H new ATOM 0 HD2 HIS A 529 41.203 35.096 38.069 1.00 0.00 H new ATOM 0 HE1 HIS A 529 44.644 35.434 40.544 1.00 0.00 H new ATOM 0 HE2 HIS A 529 43.673 36.046 38.236 1.00 0.00 H new ATOM 275 N ASP A 530 39.153 31.401 42.420 1.00 0.00 N ATOM 276 CA ASP A 530 38.046 30.856 43.205 1.00 0.00 C ATOM 277 C ASP A 530 36.921 31.869 43.446 1.00 0.00 C ATOM 278 O ASP A 530 37.200 33.040 43.714 1.00 0.00 O ATOM 279 CB ASP A 530 38.559 30.274 44.531 1.00 0.00 C ATOM 280 CG ASP A 530 39.486 31.237 45.276 1.00 0.00 C ATOM 281 OD1 ASP A 530 39.038 31.829 46.286 1.00 0.00 O ATOM 282 OD2 ASP A 530 40.662 31.389 44.852 1.00 0.00 O ATOM 0 H ASP A 530 39.948 31.672 42.998 1.00 0.00 H new ATOM 0 HA ASP A 530 37.608 30.053 42.612 1.00 0.00 H new ATOM 0 HB2 ASP A 530 37.710 30.027 45.168 1.00 0.00 H new ATOM 0 HB3 ASP A 530 39.091 29.343 44.334 1.00 0.00 H new ATOM 287 N TYR A 531 35.667 31.417 43.403 1.00 0.00 N ATOM 288 CA TYR A 531 34.478 32.257 43.505 1.00 0.00 C ATOM 289 C TYR A 531 33.387 31.743 44.460 1.00 0.00 C ATOM 290 O TYR A 531 32.940 30.598 44.335 1.00 0.00 O ATOM 291 CB TYR A 531 33.930 32.591 42.112 1.00 0.00 C ATOM 292 CG TYR A 531 32.621 33.363 42.197 1.00 0.00 C ATOM 293 CD1 TYR A 531 32.655 34.729 42.540 1.00 0.00 C ATOM 294 CD2 TYR A 531 31.382 32.696 42.107 1.00 0.00 C ATOM 295 CE1 TYR A 531 31.458 35.415 42.823 1.00 0.00 C ATOM 296 CE2 TYR A 531 30.182 33.379 42.393 1.00 0.00 C ATOM 297 CZ TYR A 531 30.221 34.739 42.774 1.00 0.00 C ATOM 298 OH TYR A 531 29.086 35.413 43.100 1.00 0.00 O ATOM 0 H TYR A 531 35.447 30.427 43.293 1.00 0.00 H new ATOM 0 HA TYR A 531 34.813 33.179 43.981 1.00 0.00 H new ATOM 0 HB2 TYR A 531 34.665 33.179 41.562 1.00 0.00 H new ATOM 0 HB3 TYR A 531 33.774 31.670 41.551 1.00 0.00 H new ATOM 0 HD1 TYR A 531 33.600 35.250 42.586 1.00 0.00 H new ATOM 0 HD2 TYR A 531 31.352 31.656 41.817 1.00 0.00 H new ATOM 0 HE1 TYR A 531 31.487 36.464 43.079 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.235 32.864 42.321 1.00 0.00 H new ATOM 0 HH TYR A 531 28.397 34.776 43.382 1.00 0.00 H new ATOM 308 N THR A 532 32.935 32.596 45.380 1.00 0.00 N ATOM 309 CA THR A 532 31.868 32.304 46.351 1.00 0.00 C ATOM 310 C THR A 532 30.453 32.695 45.937 1.00 0.00 C ATOM 311 O THR A 532 30.110 33.879 45.911 1.00 0.00 O ATOM 312 CB THR A 532 32.164 32.829 47.762 1.00 0.00 C ATOM 313 OG1 THR A 532 33.546 32.843 48.046 1.00 0.00 O ATOM 314 CG2 THR A 532 31.454 32.008 48.834 1.00 0.00 C ATOM 0 H THR A 532 33.310 33.540 45.477 1.00 0.00 H new ATOM 0 HA THR A 532 31.882 31.214 46.367 1.00 0.00 H new ATOM 0 HB THR A 532 31.787 33.851 47.780 1.00 0.00 H new ATOM 0 HG1 THR A 532 33.690 33.185 48.953 1.00 0.00 H new ATOM 0 HG21 THR A 532 31.690 32.413 49.818 1.00 0.00 H new ATOM 0 HG22 THR A 532 30.377 32.052 48.672 1.00 0.00 H new ATOM 0 HG23 THR A 532 31.787 30.972 48.779 1.00 0.00 H new ATOM 322 N ALA A 533 29.600 31.696 45.710 1.00 0.00 N ATOM 323 CA ALA A 533 28.174 31.884 45.476 1.00 0.00 C ATOM 324 C ALA A 533 27.471 32.390 46.741 1.00 0.00 C ATOM 325 O ALA A 533 27.597 31.792 47.815 1.00 0.00 O ATOM 326 CB ALA A 533 27.567 30.555 45.013 1.00 0.00 C ATOM 0 H ALA A 533 29.889 30.718 45.684 1.00 0.00 H new ATOM 0 HA ALA A 533 28.034 32.638 44.702 1.00 0.00 H new ATOM 0 HB1 ALA A 533 26.500 30.685 44.835 1.00 0.00 H new ATOM 0 HB2 ALA A 533 28.052 30.235 44.091 1.00 0.00 H new ATOM 0 HB3 ALA A 533 27.717 29.799 45.783 1.00 0.00 H new ATOM 332 N THR A 534 26.678 33.446 46.591 1.00 0.00 N ATOM 333 CA THR A 534 25.898 34.102 47.658 1.00 0.00 C ATOM 334 C THR A 534 24.462 34.450 47.217 1.00 0.00 C ATOM 335 O THR A 534 23.832 35.404 47.678 1.00 0.00 O ATOM 336 CB THR A 534 26.725 35.234 48.298 1.00 0.00 C ATOM 337 OG1 THR A 534 26.128 35.713 49.482 1.00 0.00 O ATOM 338 CG2 THR A 534 26.943 36.423 47.368 1.00 0.00 C ATOM 0 H THR A 534 26.549 33.895 45.684 1.00 0.00 H new ATOM 0 HA THR A 534 25.715 33.397 48.469 1.00 0.00 H new ATOM 0 HB THR A 534 27.691 34.779 48.517 1.00 0.00 H new ATOM 0 HG1 THR A 534 25.165 35.827 49.340 1.00 0.00 H new ATOM 0 HG21 THR A 534 27.532 37.183 47.881 1.00 0.00 H new ATOM 0 HG22 THR A 534 27.474 36.094 46.475 1.00 0.00 H new ATOM 0 HG23 THR A 534 25.979 36.843 47.082 1.00 0.00 H new ATOM 346 N ASP A 535 23.911 33.627 46.321 1.00 0.00 N ATOM 347 CA ASP A 535 22.488 33.604 45.959 1.00 0.00 C ATOM 348 C ASP A 535 22.077 32.157 45.626 1.00 0.00 C ATOM 349 O ASP A 535 22.919 31.267 45.446 1.00 0.00 O ATOM 350 CB ASP A 535 22.238 34.492 44.729 1.00 0.00 C ATOM 351 CG ASP A 535 20.754 34.815 44.492 1.00 0.00 C ATOM 352 OD1 ASP A 535 19.934 34.668 45.428 1.00 0.00 O ATOM 353 OD2 ASP A 535 20.414 35.178 43.345 1.00 0.00 O ATOM 0 H ASP A 535 24.459 32.935 45.810 1.00 0.00 H new ATOM 0 HA ASP A 535 21.901 33.981 46.797 1.00 0.00 H new ATOM 0 HB2 ASP A 535 22.789 35.425 44.847 1.00 0.00 H new ATOM 0 HB3 ASP A 535 22.638 33.995 43.845 1.00 0.00 H new ATOM 358 N THR A 536 20.772 31.931 45.478 1.00 0.00 N ATOM 359 CA THR A 536 20.214 30.692 44.918 1.00 0.00 C ATOM 360 C THR A 536 20.491 30.446 43.428 1.00 0.00 C ATOM 361 O THR A 536 20.579 29.304 42.976 1.00 0.00 O ATOM 362 CB THR A 536 18.734 30.539 45.309 1.00 0.00 C ATOM 363 OG1 THR A 536 18.394 29.177 45.367 1.00 0.00 O ATOM 364 CG2 THR A 536 17.767 31.225 44.344 1.00 0.00 C ATOM 0 H THR A 536 20.060 32.610 45.746 1.00 0.00 H new ATOM 0 HA THR A 536 20.773 29.881 45.384 1.00 0.00 H new ATOM 0 HB THR A 536 18.633 31.024 46.280 1.00 0.00 H new ATOM 0 HG1 THR A 536 17.451 29.086 45.618 1.00 0.00 H new ATOM 0 HG21 THR A 536 16.743 31.073 44.686 1.00 0.00 H new ATOM 0 HG22 THR A 536 17.984 32.293 44.310 1.00 0.00 H new ATOM 0 HG23 THR A 536 17.884 30.799 43.348 1.00 0.00 H new ATOM 372 N ASP A 537 20.693 31.514 42.649 1.00 0.00 N ATOM 373 CA ASP A 537 21.004 31.443 41.210 1.00 0.00 C ATOM 374 C ASP A 537 22.480 31.038 40.984 1.00 0.00 C ATOM 375 O ASP A 537 22.816 30.476 39.943 1.00 0.00 O ATOM 376 CB ASP A 537 20.788 32.858 40.645 1.00 0.00 C ATOM 377 CG ASP A 537 20.698 32.969 39.117 1.00 0.00 C ATOM 378 OD1 ASP A 537 21.006 34.056 38.581 1.00 0.00 O ATOM 379 OD2 ASP A 537 20.211 32.025 38.447 1.00 0.00 O ATOM 0 H ASP A 537 20.645 32.469 43.003 1.00 0.00 H new ATOM 0 HA ASP A 537 20.371 30.701 40.723 1.00 0.00 H new ATOM 0 HB2 ASP A 537 19.870 33.262 41.073 1.00 0.00 H new ATOM 0 HB3 ASP A 537 21.605 33.493 40.987 1.00 0.00 H new ATOM 384 N GLU A 538 23.374 31.350 41.929 1.00 0.00 N ATOM 385 CA GLU A 538 24.829 31.338 41.753 1.00 0.00 C ATOM 386 C GLU A 538 25.497 29.952 41.860 1.00 0.00 C ATOM 387 O GLU A 538 25.027 29.077 42.593 1.00 0.00 O ATOM 388 CB GLU A 538 25.444 32.368 42.716 1.00 0.00 C ATOM 389 CG GLU A 538 25.220 33.800 42.206 1.00 0.00 C ATOM 390 CD GLU A 538 25.627 34.891 43.203 1.00 0.00 C ATOM 391 OE1 GLU A 538 24.997 35.973 43.166 1.00 0.00 O ATOM 392 OE2 GLU A 538 26.578 34.696 43.999 1.00 0.00 O ATOM 0 H GLU A 538 23.094 31.627 42.870 1.00 0.00 H new ATOM 0 HA GLU A 538 25.032 31.618 40.719 1.00 0.00 H new ATOM 0 HB2 GLU A 538 25.000 32.257 43.705 1.00 0.00 H new ATOM 0 HB3 GLU A 538 26.512 32.179 42.823 1.00 0.00 H new ATOM 0 HG2 GLU A 538 25.784 33.938 41.283 1.00 0.00 H new ATOM 0 HG3 GLU A 538 24.166 33.925 41.958 1.00 0.00 H new ATOM 399 N LEU A 539 26.601 29.784 41.121 1.00 0.00 N ATOM 400 CA LEU A 539 27.521 28.640 41.082 1.00 0.00 C ATOM 401 C LEU A 539 28.789 28.960 41.896 1.00 0.00 C ATOM 402 O LEU A 539 29.333 30.059 41.780 1.00 0.00 O ATOM 403 CB LEU A 539 27.931 28.371 39.609 1.00 0.00 C ATOM 404 CG LEU A 539 27.917 26.905 39.135 1.00 0.00 C ATOM 405 CD1 LEU A 539 28.639 26.773 37.807 1.00 0.00 C ATOM 406 CD2 LEU A 539 28.597 25.934 40.091 1.00 0.00 C ATOM 0 H LEU A 539 26.901 30.514 40.475 1.00 0.00 H new ATOM 0 HA LEU A 539 27.026 27.766 41.505 1.00 0.00 H new ATOM 0 HB2 LEU A 539 27.265 28.942 38.962 1.00 0.00 H new ATOM 0 HB3 LEU A 539 28.936 28.766 39.460 1.00 0.00 H new ATOM 0 HG LEU A 539 26.860 26.648 39.067 1.00 0.00 H new ATOM 0 HD11 LEU A 539 28.621 25.732 37.485 1.00 0.00 H new ATOM 0 HD12 LEU A 539 28.143 27.393 37.060 1.00 0.00 H new ATOM 0 HD13 LEU A 539 29.673 27.100 37.921 1.00 0.00 H new ATOM 0 HD21 LEU A 539 28.543 24.924 39.683 1.00 0.00 H new ATOM 0 HD22 LEU A 539 29.641 26.219 40.217 1.00 0.00 H new ATOM 0 HD23 LEU A 539 28.094 25.962 41.057 1.00 0.00 H new ATOM 418 N GLN A 540 29.292 28.012 42.685 1.00 0.00 N ATOM 419 CA GLN A 540 30.542 28.154 43.447 1.00 0.00 C ATOM 420 C GLN A 540 31.733 27.549 42.676 1.00 0.00 C ATOM 421 O GLN A 540 31.626 26.434 42.166 1.00 0.00 O ATOM 422 CB GLN A 540 30.323 27.468 44.799 1.00 0.00 C ATOM 423 CG GLN A 540 31.450 27.697 45.823 1.00 0.00 C ATOM 424 CD GLN A 540 31.376 26.680 46.959 1.00 0.00 C ATOM 425 OE1 GLN A 540 32.082 25.676 46.966 1.00 0.00 O ATOM 426 NE2 GLN A 540 30.392 26.769 47.819 1.00 0.00 N ATOM 0 H GLN A 540 28.839 27.108 42.818 1.00 0.00 H new ATOM 0 HA GLN A 540 30.790 29.205 43.599 1.00 0.00 H new ATOM 0 HB2 GLN A 540 29.385 27.824 45.225 1.00 0.00 H new ATOM 0 HB3 GLN A 540 30.212 26.396 44.634 1.00 0.00 H new ATOM 0 HG2 GLN A 540 32.417 27.622 45.326 1.00 0.00 H new ATOM 0 HG3 GLN A 540 31.377 28.706 46.229 1.00 0.00 H new ATOM 0 HE21 GLN A 540 29.795 27.596 47.827 1.00 0.00 H new ATOM 0 HE22 GLN A 540 30.223 26.011 48.480 1.00 0.00 H new ATOM 435 N LEU A 541 32.877 28.244 42.612 1.00 0.00 N ATOM 436 CA LEU A 541 34.080 27.804 41.878 1.00 0.00 C ATOM 437 C LEU A 541 35.337 27.778 42.763 1.00 0.00 C ATOM 438 O LEU A 541 35.526 28.626 43.636 1.00 0.00 O ATOM 439 CB LEU A 541 34.324 28.686 40.624 1.00 0.00 C ATOM 440 CG LEU A 541 33.176 28.746 39.592 1.00 0.00 C ATOM 441 CD1 LEU A 541 33.590 29.634 38.418 1.00 0.00 C ATOM 442 CD2 LEU A 541 32.814 27.372 39.042 1.00 0.00 C ATOM 0 H LEU A 541 32.998 29.144 43.076 1.00 0.00 H new ATOM 0 HA LEU A 541 33.887 26.780 41.558 1.00 0.00 H new ATOM 0 HB2 LEU A 541 34.537 29.702 40.957 1.00 0.00 H new ATOM 0 HB3 LEU A 541 35.219 28.322 40.119 1.00 0.00 H new ATOM 0 HG LEU A 541 32.305 29.150 40.109 1.00 0.00 H new ATOM 0 HD11 LEU A 541 32.780 29.676 37.690 1.00 0.00 H new ATOM 0 HD12 LEU A 541 33.805 30.639 38.780 1.00 0.00 H new ATOM 0 HD13 LEU A 541 34.481 29.221 37.946 1.00 0.00 H new ATOM 0 HD21 LEU A 541 32.002 27.471 38.321 1.00 0.00 H new ATOM 0 HD22 LEU A 541 33.684 26.936 38.551 1.00 0.00 H new ATOM 0 HD23 LEU A 541 32.496 26.725 39.860 1.00 0.00 H new ATOM 454 N LYS A 542 36.247 26.851 42.473 1.00 0.00 N ATOM 455 CA LYS A 542 37.643 26.809 42.937 1.00 0.00 C ATOM 456 C LYS A 542 38.582 27.002 41.747 1.00 0.00 C ATOM 457 O LYS A 542 38.310 26.468 40.680 1.00 0.00 O ATOM 458 CB LYS A 542 37.843 25.465 43.668 1.00 0.00 C ATOM 459 CG LYS A 542 39.284 25.008 43.963 1.00 0.00 C ATOM 460 CD LYS A 542 40.181 25.983 44.741 1.00 0.00 C ATOM 461 CE LYS A 542 39.765 26.310 46.183 1.00 0.00 C ATOM 462 NZ LYS A 542 39.847 25.135 47.079 1.00 0.00 N ATOM 0 H LYS A 542 36.022 26.058 41.872 1.00 0.00 H new ATOM 0 HA LYS A 542 37.873 27.614 43.635 1.00 0.00 H new ATOM 0 HB2 LYS A 542 37.309 25.519 44.617 1.00 0.00 H new ATOM 0 HB3 LYS A 542 37.361 24.688 43.075 1.00 0.00 H new ATOM 0 HG2 LYS A 542 39.235 24.074 44.522 1.00 0.00 H new ATOM 0 HG3 LYS A 542 39.770 24.786 43.013 1.00 0.00 H new ATOM 0 HD2 LYS A 542 41.190 25.571 44.764 1.00 0.00 H new ATOM 0 HD3 LYS A 542 40.231 26.917 44.182 1.00 0.00 H new ATOM 0 HE2 LYS A 542 40.404 27.103 46.571 1.00 0.00 H new ATOM 0 HE3 LYS A 542 38.745 26.693 46.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 39.556 25.409 48.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 39.217 24.386 46.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 40.825 24.783 47.101 1.00 0.00 H new ATOM 476 N ALA A 543 39.686 27.738 41.905 1.00 0.00 N ATOM 477 CA ALA A 543 40.713 27.869 40.871 1.00 0.00 C ATOM 478 C ALA A 543 41.182 26.483 40.379 1.00 0.00 C ATOM 479 O ALA A 543 41.759 25.700 41.137 1.00 0.00 O ATOM 480 CB ALA A 543 41.878 28.692 41.431 1.00 0.00 C ATOM 0 H ALA A 543 39.892 28.261 42.756 1.00 0.00 H new ATOM 0 HA ALA A 543 40.297 28.386 40.006 1.00 0.00 H new ATOM 0 HB1 ALA A 543 42.650 28.796 40.668 1.00 0.00 H new ATOM 0 HB2 ALA A 543 41.519 29.680 41.721 1.00 0.00 H new ATOM 0 HB3 ALA A 543 42.295 28.187 42.302 1.00 0.00 H new ATOM 486 N GLY A 544 40.891 26.187 39.114 1.00 0.00 N ATOM 487 CA GLY A 544 41.102 24.891 38.461 1.00 0.00 C ATOM 488 C GLY A 544 39.804 24.210 38.026 1.00 0.00 C ATOM 489 O GLY A 544 39.860 23.317 37.177 1.00 0.00 O ATOM 0 H GLY A 544 40.482 26.876 38.483 1.00 0.00 H new ATOM 0 HA2 GLY A 544 41.739 25.032 37.588 1.00 0.00 H new ATOM 0 HA3 GLY A 544 41.638 24.232 39.144 1.00 0.00 H new ATOM 493 N ASP A 545 38.642 24.649 38.527 1.00 0.00 N ATOM 494 CA ASP A 545 37.349 24.044 38.211 1.00 0.00 C ATOM 495 C ASP A 545 36.923 24.220 36.752 1.00 0.00 C ATOM 496 O ASP A 545 36.729 25.349 36.295 1.00 0.00 O ATOM 497 CB ASP A 545 36.244 24.514 39.181 1.00 0.00 C ATOM 498 CG ASP A 545 36.200 23.837 40.552 1.00 0.00 C ATOM 499 OD1 ASP A 545 36.808 22.757 40.749 1.00 0.00 O ATOM 500 OD2 ASP A 545 35.443 24.340 41.412 1.00 0.00 O ATOM 0 H ASP A 545 38.576 25.440 39.167 1.00 0.00 H new ATOM 0 HA ASP A 545 37.490 22.972 38.351 1.00 0.00 H new ATOM 0 HB2 ASP A 545 36.360 25.587 39.335 1.00 0.00 H new ATOM 0 HB3 ASP A 545 35.279 24.364 38.696 1.00 0.00 H new ATOM 505 N VAL A 546 36.749 23.117 36.022 1.00 0.00 N ATOM 506 CA VAL A 546 36.078 23.131 34.716 1.00 0.00 C ATOM 507 C VAL A 546 34.577 23.344 34.909 1.00 0.00 C ATOM 508 O VAL A 546 33.961 22.669 35.743 1.00 0.00 O ATOM 509 CB VAL A 546 36.349 21.847 33.908 1.00 0.00 C ATOM 510 CG1 VAL A 546 35.713 21.918 32.515 1.00 0.00 C ATOM 511 CG2 VAL A 546 37.851 21.585 33.730 1.00 0.00 C ATOM 0 H VAL A 546 37.066 22.193 36.315 1.00 0.00 H new ATOM 0 HA VAL A 546 36.489 23.959 34.138 1.00 0.00 H new ATOM 0 HB VAL A 546 35.904 21.034 34.482 1.00 0.00 H new ATOM 0 HG11 VAL A 546 35.923 20.997 31.972 1.00 0.00 H new ATOM 0 HG12 VAL A 546 34.635 22.043 32.613 1.00 0.00 H new ATOM 0 HG13 VAL A 546 36.128 22.765 31.968 1.00 0.00 H new ATOM 0 HG21 VAL A 546 37.995 20.670 33.155 1.00 0.00 H new ATOM 0 HG22 VAL A 546 38.306 22.422 33.201 1.00 0.00 H new ATOM 0 HG23 VAL A 546 38.320 21.476 34.708 1.00 0.00 H new ATOM 521 N VAL A 547 33.981 24.230 34.109 1.00 0.00 N ATOM 522 CA VAL A 547 32.544 24.521 34.069 1.00 0.00 C ATOM 523 C VAL A 547 32.002 24.415 32.655 1.00 0.00 C ATOM 524 O VAL A 547 32.500 25.057 31.734 1.00 0.00 O ATOM 525 CB VAL A 547 32.130 25.853 34.748 1.00 0.00 C ATOM 526 CG1 VAL A 547 30.733 25.729 35.350 1.00 0.00 C ATOM 527 CG2 VAL A 547 33.096 26.349 35.821 1.00 0.00 C ATOM 0 H VAL A 547 34.510 24.790 33.440 1.00 0.00 H new ATOM 0 HA VAL A 547 32.078 23.748 34.680 1.00 0.00 H new ATOM 0 HB VAL A 547 32.149 26.596 33.951 1.00 0.00 H new ATOM 0 HG11 VAL A 547 30.456 26.671 35.823 1.00 0.00 H new ATOM 0 HG12 VAL A 547 30.017 25.494 34.562 1.00 0.00 H new ATOM 0 HG13 VAL A 547 30.727 24.933 36.095 1.00 0.00 H new ATOM 0 HG21 VAL A 547 32.726 27.285 36.240 1.00 0.00 H new ATOM 0 HG22 VAL A 547 33.175 25.603 36.612 1.00 0.00 H new ATOM 0 HG23 VAL A 547 34.078 26.513 35.378 1.00 0.00 H new ATOM 537 N LEU A 548 31.002 23.565 32.476 1.00 0.00 N ATOM 538 CA LEU A 548 30.322 23.338 31.216 1.00 0.00 C ATOM 539 C LEU A 548 29.278 24.454 31.019 1.00 0.00 C ATOM 540 O LEU A 548 28.209 24.404 31.629 1.00 0.00 O ATOM 541 CB LEU A 548 29.681 21.933 31.258 1.00 0.00 C ATOM 542 CG LEU A 548 30.538 20.750 31.760 1.00 0.00 C ATOM 543 CD1 LEU A 548 29.696 19.485 31.886 1.00 0.00 C ATOM 544 CD2 LEU A 548 31.715 20.422 30.859 1.00 0.00 C ATOM 0 H LEU A 548 30.630 22.994 33.235 1.00 0.00 H new ATOM 0 HA LEU A 548 31.008 23.369 30.370 1.00 0.00 H new ATOM 0 HB2 LEU A 548 28.794 21.991 31.888 1.00 0.00 H new ATOM 0 HB3 LEU A 548 29.341 21.693 30.251 1.00 0.00 H new ATOM 0 HG LEU A 548 30.922 21.074 32.727 1.00 0.00 H new ATOM 0 HD11 LEU A 548 30.321 18.666 32.241 1.00 0.00 H new ATOM 0 HD12 LEU A 548 28.886 19.656 32.594 1.00 0.00 H new ATOM 0 HD13 LEU A 548 29.279 19.227 30.913 1.00 0.00 H new ATOM 0 HD21 LEU A 548 32.269 19.581 31.276 1.00 0.00 H new ATOM 0 HD22 LEU A 548 31.351 20.159 29.866 1.00 0.00 H new ATOM 0 HD23 LEU A 548 32.371 21.289 30.787 1.00 0.00 H new ATOM 556 N VAL A 549 29.596 25.487 30.234 1.00 0.00 N ATOM 557 CA VAL A 549 28.644 26.574 29.897 1.00 0.00 C ATOM 558 C VAL A 549 27.396 26.120 29.115 1.00 0.00 C ATOM 559 O VAL A 549 27.498 25.432 28.096 1.00 0.00 O ATOM 560 CB VAL A 549 29.335 27.765 29.205 1.00 0.00 C ATOM 561 CG1 VAL A 549 28.498 29.045 29.217 1.00 0.00 C ATOM 562 CG2 VAL A 549 30.668 28.076 29.895 1.00 0.00 C ATOM 0 H VAL A 549 30.516 25.603 29.810 1.00 0.00 H new ATOM 0 HA VAL A 549 28.272 26.911 30.864 1.00 0.00 H new ATOM 0 HB VAL A 549 29.479 27.460 28.169 1.00 0.00 H new ATOM 0 HG11 VAL A 549 29.045 29.842 28.713 1.00 0.00 H new ATOM 0 HG12 VAL A 549 27.555 28.868 28.699 1.00 0.00 H new ATOM 0 HG13 VAL A 549 28.296 29.338 30.247 1.00 0.00 H new ATOM 0 HG21 VAL A 549 31.147 28.919 29.397 1.00 0.00 H new ATOM 0 HG22 VAL A 549 30.487 28.327 30.940 1.00 0.00 H new ATOM 0 HG23 VAL A 549 31.319 27.204 29.839 1.00 0.00 H new ATOM 572 N ILE A 550 26.214 26.558 29.563 1.00 0.00 N ATOM 573 CA ILE A 550 24.887 26.304 28.970 1.00 0.00 C ATOM 574 C ILE A 550 24.083 27.628 28.886 1.00 0.00 C ATOM 575 O ILE A 550 24.376 28.571 29.625 1.00 0.00 O ATOM 576 CB ILE A 550 24.114 25.232 29.789 1.00 0.00 C ATOM 577 CG1 ILE A 550 23.700 25.769 31.180 1.00 0.00 C ATOM 578 CG2 ILE A 550 24.884 23.900 29.889 1.00 0.00 C ATOM 579 CD1 ILE A 550 22.965 24.768 32.079 1.00 0.00 C ATOM 0 H ILE A 550 26.150 27.136 30.401 1.00 0.00 H new ATOM 0 HA ILE A 550 25.021 25.916 27.960 1.00 0.00 H new ATOM 0 HB ILE A 550 23.198 25.015 29.240 1.00 0.00 H new ATOM 0 HG12 ILE A 550 24.595 26.110 31.700 1.00 0.00 H new ATOM 0 HG13 ILE A 550 23.062 26.641 31.039 1.00 0.00 H new ATOM 0 HG21 ILE A 550 24.301 23.186 30.471 1.00 0.00 H new ATOM 0 HG22 ILE A 550 25.053 23.501 28.889 1.00 0.00 H new ATOM 0 HG23 ILE A 550 25.843 24.070 30.379 1.00 0.00 H new ATOM 0 HD11 ILE A 550 22.720 25.244 33.029 1.00 0.00 H new ATOM 0 HD12 ILE A 550 22.047 24.444 31.588 1.00 0.00 H new ATOM 0 HD13 ILE A 550 23.604 23.904 32.260 1.00 0.00 H new ATOM 591 N PRO A 551 23.065 27.730 28.009 1.00 0.00 N ATOM 592 CA PRO A 551 22.170 28.886 27.923 1.00 0.00 C ATOM 593 C PRO A 551 21.219 28.969 29.127 1.00 0.00 C ATOM 594 O PRO A 551 20.883 27.959 29.754 1.00 0.00 O ATOM 595 CB PRO A 551 21.415 28.713 26.601 1.00 0.00 C ATOM 596 CG PRO A 551 21.356 27.197 26.424 1.00 0.00 C ATOM 597 CD PRO A 551 22.685 26.737 27.019 1.00 0.00 C ATOM 0 HA PRO A 551 22.724 29.825 27.946 1.00 0.00 H new ATOM 0 HB2 PRO A 551 20.418 29.151 26.647 1.00 0.00 H new ATOM 0 HB3 PRO A 551 21.937 29.194 25.774 1.00 0.00 H new ATOM 0 HG2 PRO A 551 20.505 26.761 26.948 1.00 0.00 H new ATOM 0 HG3 PRO A 551 21.263 26.915 25.375 1.00 0.00 H new ATOM 0 HD2 PRO A 551 22.584 25.753 27.477 1.00 0.00 H new ATOM 0 HD3 PRO A 551 23.447 26.652 26.244 1.00 0.00 H new ATOM 605 N PHE A 552 20.755 30.179 29.436 1.00 0.00 N ATOM 606 CA PHE A 552 19.930 30.478 30.609 1.00 0.00 C ATOM 607 C PHE A 552 18.514 29.879 30.630 1.00 0.00 C ATOM 608 O PHE A 552 17.944 29.578 29.578 1.00 0.00 O ATOM 609 CB PHE A 552 19.933 31.989 30.884 1.00 0.00 C ATOM 610 CG PHE A 552 21.217 32.539 31.485 1.00 0.00 C ATOM 611 CD1 PHE A 552 21.221 33.006 32.810 1.00 0.00 C ATOM 612 CD2 PHE A 552 22.391 32.653 30.712 1.00 0.00 C ATOM 613 CE1 PHE A 552 22.381 33.583 33.355 1.00 0.00 C ATOM 614 CE2 PHE A 552 23.559 33.211 31.264 1.00 0.00 C ATOM 615 CZ PHE A 552 23.555 33.675 32.591 1.00 0.00 C ATOM 0 H PHE A 552 20.947 31.001 28.863 1.00 0.00 H new ATOM 0 HA PHE A 552 20.412 29.950 31.432 1.00 0.00 H new ATOM 0 HB2 PHE A 552 19.737 32.512 29.948 1.00 0.00 H new ATOM 0 HB3 PHE A 552 19.108 32.220 31.558 1.00 0.00 H new ATOM 0 HD1 PHE A 552 20.329 32.921 33.413 1.00 0.00 H new ATOM 0 HD2 PHE A 552 22.394 32.309 29.688 1.00 0.00 H new ATOM 0 HE1 PHE A 552 22.369 33.958 34.368 1.00 0.00 H new ATOM 0 HE2 PHE A 552 24.457 33.283 30.669 1.00 0.00 H new ATOM 0 HZ PHE A 552 24.450 34.100 33.020 1.00 0.00 H new ATOM 700 N GLN A 558 18.866 36.113 32.664 1.00 0.00 N ATOM 701 CA GLN A 558 20.261 36.319 32.253 1.00 0.00 C ATOM 702 C GLN A 558 20.815 37.687 32.672 1.00 0.00 C ATOM 703 O GLN A 558 20.340 38.733 32.227 1.00 0.00 O ATOM 704 CB GLN A 558 20.435 36.033 30.743 1.00 0.00 C ATOM 705 CG GLN A 558 21.868 36.327 30.255 1.00 0.00 C ATOM 706 CD GLN A 558 22.285 35.650 28.944 1.00 0.00 C ATOM 707 OE1 GLN A 558 21.495 35.128 28.160 1.00 0.00 O ATOM 708 NE2 GLN A 558 23.569 35.655 28.664 1.00 0.00 N ATOM 0 HA GLN A 558 20.870 35.595 32.794 1.00 0.00 H new ATOM 0 HB2 GLN A 558 20.192 34.990 30.542 1.00 0.00 H new ATOM 0 HB3 GLN A 558 19.729 36.640 30.176 1.00 0.00 H new ATOM 0 HG2 GLN A 558 21.975 37.405 30.134 1.00 0.00 H new ATOM 0 HG3 GLN A 558 22.566 36.023 31.035 1.00 0.00 H new ATOM 0 HE21 GLN A 558 24.230 36.086 29.310 1.00 0.00 H new ATOM 0 HE22 GLN A 558 23.904 35.228 27.801 1.00 0.00 H new ATOM 717 N ASP A 559 21.863 37.659 33.501 1.00 0.00 N ATOM 718 CA ASP A 559 22.554 38.822 34.051 1.00 0.00 C ATOM 719 C ASP A 559 23.726 39.252 33.135 1.00 0.00 C ATOM 720 O ASP A 559 24.554 38.421 32.751 1.00 0.00 O ATOM 721 CB ASP A 559 23.012 38.487 35.489 1.00 0.00 C ATOM 722 CG ASP A 559 21.873 38.128 36.448 1.00 0.00 C ATOM 723 OD1 ASP A 559 21.831 36.982 36.957 1.00 0.00 O ATOM 724 OD2 ASP A 559 21.032 39.009 36.733 1.00 0.00 O ATOM 0 H ASP A 559 22.270 36.780 33.820 1.00 0.00 H new ATOM 0 HA ASP A 559 21.880 39.677 34.095 1.00 0.00 H new ATOM 0 HB2 ASP A 559 23.713 37.654 35.449 1.00 0.00 H new ATOM 0 HB3 ASP A 559 23.555 39.342 35.893 1.00 0.00 H new ATOM 729 N GLU A 560 23.819 40.529 32.746 1.00 0.00 N ATOM 730 CA GLU A 560 24.889 41.011 31.852 1.00 0.00 C ATOM 731 C GLU A 560 26.275 40.898 32.514 1.00 0.00 C ATOM 732 O GLU A 560 26.444 41.224 33.691 1.00 0.00 O ATOM 733 CB GLU A 560 24.575 42.426 31.319 1.00 0.00 C ATOM 734 CG GLU A 560 25.679 43.026 30.420 1.00 0.00 C ATOM 735 CD GLU A 560 26.615 44.030 31.115 1.00 0.00 C ATOM 736 OE1 GLU A 560 26.148 44.864 31.933 1.00 0.00 O ATOM 737 OE2 GLU A 560 27.834 44.045 30.812 1.00 0.00 O ATOM 0 H GLU A 560 23.164 41.255 33.036 1.00 0.00 H new ATOM 0 HA GLU A 560 24.925 40.359 30.979 1.00 0.00 H new ATOM 0 HB2 GLU A 560 23.643 42.391 30.755 1.00 0.00 H new ATOM 0 HB3 GLU A 560 24.410 43.092 32.166 1.00 0.00 H new ATOM 0 HG2 GLU A 560 26.281 42.211 30.018 1.00 0.00 H new ATOM 0 HG3 GLU A 560 25.206 43.521 29.572 1.00 0.00 H new ATOM 744 N GLY A 561 27.265 40.399 31.766 1.00 0.00 N ATOM 745 CA GLY A 561 28.617 40.116 32.266 1.00 0.00 C ATOM 746 C GLY A 561 28.769 38.790 33.031 1.00 0.00 C ATOM 747 O GLY A 561 29.894 38.416 33.370 1.00 0.00 O ATOM 0 H GLY A 561 27.148 40.176 30.778 1.00 0.00 H new ATOM 0 HA2 GLY A 561 29.306 40.110 31.421 1.00 0.00 H new ATOM 0 HA3 GLY A 561 28.923 40.932 32.921 1.00 0.00 H new ATOM 751 N TRP A 562 27.673 38.065 33.285 1.00 0.00 N ATOM 752 CA TRP A 562 27.666 36.716 33.868 1.00 0.00 C ATOM 753 C TRP A 562 27.636 35.608 32.807 1.00 0.00 C ATOM 754 O TRP A 562 27.325 35.868 31.641 1.00 0.00 O ATOM 755 CB TRP A 562 26.478 36.600 34.833 1.00 0.00 C ATOM 756 CG TRP A 562 26.622 37.397 36.082 1.00 0.00 C ATOM 757 CD1 TRP A 562 26.555 38.743 36.164 1.00 0.00 C ATOM 758 CD2 TRP A 562 27.104 36.945 37.378 1.00 0.00 C ATOM 759 NE1 TRP A 562 26.958 39.145 37.419 1.00 0.00 N ATOM 760 CE2 TRP A 562 27.341 38.080 38.200 1.00 0.00 C ATOM 761 CE3 TRP A 562 27.328 35.681 37.950 1.00 0.00 C ATOM 762 CZ2 TRP A 562 27.817 37.969 39.512 1.00 0.00 C ATOM 763 CZ3 TRP A 562 27.793 35.554 39.269 1.00 0.00 C ATOM 764 CH2 TRP A 562 28.056 36.695 40.044 1.00 0.00 C ATOM 0 H TRP A 562 26.735 38.412 33.084 1.00 0.00 H new ATOM 0 HA TRP A 562 28.600 36.574 34.412 1.00 0.00 H new ATOM 0 HB2 TRP A 562 25.573 36.918 34.316 1.00 0.00 H new ATOM 0 HB3 TRP A 562 26.342 35.552 35.099 1.00 0.00 H new ATOM 0 HD1 TRP A 562 26.235 39.402 35.370 1.00 0.00 H new ATOM 0 HE1 TRP A 562 26.971 40.116 37.731 1.00 0.00 H new ATOM 0 HE3 TRP A 562 27.139 34.793 37.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 27.997 38.853 40.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 27.949 34.572 39.690 1.00 0.00 H new ATOM 0 HH2 TRP A 562 28.441 36.591 41.047 1.00 0.00 H new ATOM 775 N LEU A 563 27.891 34.365 33.214 1.00 0.00 N ATOM 776 CA LEU A 563 27.607 33.157 32.427 1.00 0.00 C ATOM 777 C LEU A 563 26.934 32.094 33.306 1.00 0.00 C ATOM 778 O LEU A 563 27.027 32.159 34.529 1.00 0.00 O ATOM 779 CB LEU A 563 28.904 32.616 31.794 1.00 0.00 C ATOM 780 CG LEU A 563 29.334 33.307 30.485 1.00 0.00 C ATOM 781 CD1 LEU A 563 30.608 32.626 29.984 1.00 0.00 C ATOM 782 CD2 LEU A 563 28.291 33.191 29.369 1.00 0.00 C ATOM 0 H LEU A 563 28.311 34.161 34.121 1.00 0.00 H new ATOM 0 HA LEU A 563 26.919 33.413 31.622 1.00 0.00 H new ATOM 0 HB2 LEU A 563 29.711 32.714 32.520 1.00 0.00 H new ATOM 0 HB3 LEU A 563 28.777 31.551 31.599 1.00 0.00 H new ATOM 0 HG LEU A 563 29.472 34.364 30.711 1.00 0.00 H new ATOM 0 HD11 LEU A 563 30.933 33.098 29.057 1.00 0.00 H new ATOM 0 HD12 LEU A 563 31.392 32.724 30.735 1.00 0.00 H new ATOM 0 HD13 LEU A 563 30.409 31.570 29.803 1.00 0.00 H new ATOM 0 HD21 LEU A 563 28.656 33.698 28.476 1.00 0.00 H new ATOM 0 HD22 LEU A 563 28.116 32.139 29.143 1.00 0.00 H new ATOM 0 HD23 LEU A 563 27.358 33.653 29.693 1.00 0.00 H new ATOM 794 N MET A 564 26.256 31.128 32.680 1.00 0.00 N ATOM 795 CA MET A 564 25.628 29.978 33.340 1.00 0.00 C ATOM 796 C MET A 564 26.293 28.665 32.921 1.00 0.00 C ATOM 797 O MET A 564 26.666 28.488 31.765 1.00 0.00 O ATOM 798 CB MET A 564 24.118 29.962 33.050 1.00 0.00 C ATOM 799 CG MET A 564 23.423 28.733 33.656 1.00 0.00 C ATOM 800 SD MET A 564 21.620 28.822 33.791 1.00 0.00 S ATOM 801 CE MET A 564 21.523 30.095 35.070 1.00 0.00 C ATOM 0 H MET A 564 26.124 31.124 31.669 1.00 0.00 H new ATOM 0 HA MET A 564 25.769 30.078 34.416 1.00 0.00 H new ATOM 0 HB2 MET A 564 23.663 30.868 33.450 1.00 0.00 H new ATOM 0 HB3 MET A 564 23.957 29.974 31.972 1.00 0.00 H new ATOM 0 HG2 MET A 564 23.679 27.862 33.053 1.00 0.00 H new ATOM 0 HG3 MET A 564 23.833 28.563 34.651 1.00 0.00 H new ATOM 0 HE1 MET A 564 20.493 30.186 35.415 1.00 0.00 H new ATOM 0 HE2 MET A 564 22.163 29.819 35.908 1.00 0.00 H new ATOM 0 HE3 MET A 564 21.854 31.049 34.660 1.00 0.00 H new ATOM 811 N GLY A 565 26.414 27.721 33.849 1.00 0.00 N ATOM 812 CA GLY A 565 26.953 26.396 33.577 1.00 0.00 C ATOM 813 C GLY A 565 26.780 25.425 34.738 1.00 0.00 C ATOM 814 O GLY A 565 26.135 25.727 35.744 1.00 0.00 O ATOM 0 H GLY A 565 26.137 27.858 34.821 1.00 0.00 H new ATOM 0 HA2 GLY A 565 26.463 25.986 32.694 1.00 0.00 H new ATOM 0 HA3 GLY A 565 28.014 26.484 33.341 1.00 0.00 H new ATOM 818 N VAL A 566 27.393 24.255 34.594 1.00 0.00 N ATOM 819 CA VAL A 566 27.496 23.211 35.623 1.00 0.00 C ATOM 820 C VAL A 566 28.942 22.726 35.704 1.00 0.00 C ATOM 821 O VAL A 566 29.593 22.570 34.670 1.00 0.00 O ATOM 822 CB VAL A 566 26.476 22.084 35.342 1.00 0.00 C ATOM 823 CG1 VAL A 566 26.752 21.336 34.032 1.00 0.00 C ATOM 824 CG2 VAL A 566 26.427 21.050 36.471 1.00 0.00 C ATOM 0 H VAL A 566 27.853 23.991 33.723 1.00 0.00 H new ATOM 0 HA VAL A 566 27.239 23.609 36.605 1.00 0.00 H new ATOM 0 HB VAL A 566 25.518 22.598 35.265 1.00 0.00 H new ATOM 0 HG11 VAL A 566 26.002 20.558 33.892 1.00 0.00 H new ATOM 0 HG12 VAL A 566 26.709 22.036 33.197 1.00 0.00 H new ATOM 0 HG13 VAL A 566 27.742 20.882 34.074 1.00 0.00 H new ATOM 0 HG21 VAL A 566 25.696 20.279 36.227 1.00 0.00 H new ATOM 0 HG22 VAL A 566 27.410 20.594 36.589 1.00 0.00 H new ATOM 0 HG23 VAL A 566 26.140 21.540 37.401 1.00 0.00 H new ATOM 834 N LYS A 567 29.496 22.529 36.905 1.00 0.00 N ATOM 835 CA LYS A 567 30.870 22.039 37.044 1.00 0.00 C ATOM 836 C LYS A 567 31.035 20.646 36.457 1.00 0.00 C ATOM 837 O LYS A 567 30.186 19.780 36.667 1.00 0.00 O ATOM 838 CB LYS A 567 31.341 22.118 38.500 1.00 0.00 C ATOM 839 CG LYS A 567 31.758 23.556 38.835 1.00 0.00 C ATOM 840 CD LYS A 567 32.713 23.604 40.024 1.00 0.00 C ATOM 841 CE LYS A 567 32.031 23.433 41.378 1.00 0.00 C ATOM 842 NZ LYS A 567 33.054 23.410 42.446 1.00 0.00 N ATOM 0 H LYS A 567 29.017 22.700 37.789 1.00 0.00 H new ATOM 0 HA LYS A 567 31.517 22.696 36.462 1.00 0.00 H new ATOM 0 HB2 LYS A 567 30.542 21.797 39.168 1.00 0.00 H new ATOM 0 HB3 LYS A 567 32.180 21.440 38.657 1.00 0.00 H new ATOM 0 HG2 LYS A 567 32.236 24.008 37.966 1.00 0.00 H new ATOM 0 HG3 LYS A 567 30.871 24.150 39.056 1.00 0.00 H new ATOM 0 HD2 LYS A 567 33.463 22.822 39.906 1.00 0.00 H new ATOM 0 HD3 LYS A 567 33.242 24.557 40.013 1.00 0.00 H new ATOM 0 HE2 LYS A 567 31.329 24.249 41.549 1.00 0.00 H new ATOM 0 HE3 LYS A 567 31.454 22.508 41.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 33.228 22.427 42.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 33.938 23.827 42.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 32.716 23.960 43.262 1.00 0.00 H new ATOM 856 N GLU A 568 32.139 20.414 35.741 1.00 0.00 N ATOM 857 CA GLU A 568 32.362 19.115 35.105 1.00 0.00 C ATOM 858 C GLU A 568 32.351 17.992 36.142 1.00 0.00 C ATOM 859 O GLU A 568 31.669 17.003 35.917 1.00 0.00 O ATOM 860 CB GLU A 568 33.646 19.062 34.260 1.00 0.00 C ATOM 861 CG GLU A 568 33.885 17.646 33.684 1.00 0.00 C ATOM 862 CD GLU A 568 35.078 17.533 32.729 1.00 0.00 C ATOM 863 OE1 GLU A 568 35.976 18.407 32.735 1.00 0.00 O ATOM 864 OE2 GLU A 568 35.131 16.541 31.961 1.00 0.00 O ATOM 0 H GLU A 568 32.881 21.097 35.589 1.00 0.00 H new ATOM 0 HA GLU A 568 31.533 18.969 34.413 1.00 0.00 H new ATOM 0 HB2 GLU A 568 33.576 19.781 33.444 1.00 0.00 H new ATOM 0 HB3 GLU A 568 34.499 19.356 34.872 1.00 0.00 H new ATOM 0 HG2 GLU A 568 34.034 16.953 34.512 1.00 0.00 H new ATOM 0 HG3 GLU A 568 32.985 17.326 33.158 1.00 0.00 H new ATOM 871 N SER A 569 33.019 18.144 37.293 1.00 0.00 N ATOM 872 CA SER A 569 33.080 17.065 38.294 1.00 0.00 C ATOM 873 C SER A 569 31.697 16.714 38.888 1.00 0.00 C ATOM 874 O SER A 569 31.460 15.565 39.259 1.00 0.00 O ATOM 875 CB SER A 569 34.095 17.435 39.382 1.00 0.00 C ATOM 876 OG SER A 569 34.379 16.316 40.203 1.00 0.00 O ATOM 0 H SER A 569 33.520 18.993 37.555 1.00 0.00 H new ATOM 0 HA SER A 569 33.413 16.158 37.790 1.00 0.00 H new ATOM 0 HB2 SER A 569 35.014 17.797 38.921 1.00 0.00 H new ATOM 0 HB3 SER A 569 33.702 18.249 39.991 1.00 0.00 H new ATOM 0 HG SER A 569 35.030 16.571 40.890 1.00 0.00 H new ATOM 882 N ASP A 570 30.765 17.674 38.898 1.00 0.00 N ATOM 883 CA ASP A 570 29.364 17.537 39.336 1.00 0.00 C ATOM 884 C ASP A 570 28.572 16.727 38.283 1.00 0.00 C ATOM 885 O ASP A 570 27.891 15.748 38.599 1.00 0.00 O ATOM 886 CB ASP A 570 28.792 18.975 39.454 1.00 0.00 C ATOM 887 CG ASP A 570 28.046 19.295 40.747 1.00 0.00 C ATOM 888 OD1 ASP A 570 27.917 20.501 41.064 1.00 0.00 O ATOM 889 OD2 ASP A 570 27.632 18.381 41.491 1.00 0.00 O ATOM 0 H ASP A 570 30.976 18.621 38.584 1.00 0.00 H new ATOM 0 HA ASP A 570 29.290 17.013 40.289 1.00 0.00 H new ATOM 0 HB2 ASP A 570 29.615 19.682 39.348 1.00 0.00 H new ATOM 0 HB3 ASP A 570 28.116 19.146 38.616 1.00 0.00 H new ATOM 894 N TRP A 571 28.719 17.103 37.006 1.00 0.00 N ATOM 895 CA TRP A 571 28.126 16.426 35.845 1.00 0.00 C ATOM 896 C TRP A 571 28.720 15.026 35.596 1.00 0.00 C ATOM 897 O TRP A 571 28.023 14.111 35.170 1.00 0.00 O ATOM 898 CB TRP A 571 28.272 17.377 34.641 1.00 0.00 C ATOM 899 CG TRP A 571 27.808 16.887 33.300 1.00 0.00 C ATOM 900 CD1 TRP A 571 28.591 16.323 32.352 1.00 0.00 C ATOM 901 CD2 TRP A 571 26.440 16.739 32.809 1.00 0.00 C ATOM 902 NE1 TRP A 571 27.822 15.898 31.286 1.00 0.00 N ATOM 903 CE2 TRP A 571 26.481 16.118 31.522 1.00 0.00 C ATOM 904 CE3 TRP A 571 25.170 17.100 33.309 1.00 0.00 C ATOM 905 CZ2 TRP A 571 25.319 15.855 30.783 1.00 0.00 C ATOM 906 CZ3 TRP A 571 23.998 16.862 32.565 1.00 0.00 C ATOM 907 CH2 TRP A 571 24.068 16.225 31.312 1.00 0.00 C ATOM 0 H TRP A 571 29.275 17.917 36.743 1.00 0.00 H new ATOM 0 HA TRP A 571 27.071 16.224 36.027 1.00 0.00 H new ATOM 0 HB2 TRP A 571 27.727 18.293 34.870 1.00 0.00 H new ATOM 0 HB3 TRP A 571 29.325 17.646 34.553 1.00 0.00 H new ATOM 0 HD1 TRP A 571 29.664 16.220 32.419 1.00 0.00 H new ATOM 0 HE1 TRP A 571 28.197 15.477 30.436 1.00 0.00 H new ATOM 0 HE3 TRP A 571 25.096 17.567 34.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 571 25.383 15.374 29.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 571 23.040 17.170 32.958 1.00 0.00 H new ATOM 0 HH2 TRP A 571 23.164 16.020 30.758 1.00 0.00 H new ATOM 918 N ASN A 572 29.989 14.826 35.951 1.00 0.00 N ATOM 919 CA ASN A 572 30.734 13.566 35.889 1.00 0.00 C ATOM 920 C ASN A 572 30.344 12.599 37.033 1.00 0.00 C ATOM 921 O ASN A 572 30.407 11.383 36.855 1.00 0.00 O ATOM 922 CB ASN A 572 32.220 13.968 35.915 1.00 0.00 C ATOM 923 CG ASN A 572 33.196 12.919 35.443 1.00 0.00 C ATOM 924 OD1 ASN A 572 32.894 11.746 35.280 1.00 0.00 O ATOM 925 ND2 ASN A 572 34.407 13.321 35.149 1.00 0.00 N ATOM 0 H ASN A 572 30.562 15.588 36.313 1.00 0.00 H new ATOM 0 HA ASN A 572 30.502 13.004 34.985 1.00 0.00 H new ATOM 0 HB2 ASN A 572 32.346 14.858 35.298 1.00 0.00 H new ATOM 0 HB3 ASN A 572 32.483 14.248 36.935 1.00 0.00 H new ATOM 0 HD21 ASN A 572 35.091 12.657 34.787 1.00 0.00 H new ATOM 0 HD22 ASN A 572 34.666 14.298 35.282 1.00 0.00 H new ATOM 932 N GLN A 573 29.855 13.114 38.171 1.00 0.00 N ATOM 933 CA GLN A 573 29.074 12.334 39.146 1.00 0.00 C ATOM 934 C GLN A 573 27.591 12.161 38.746 1.00 0.00 C ATOM 935 O GLN A 573 26.816 11.575 39.501 1.00 0.00 O ATOM 936 CB GLN A 573 29.231 12.919 40.568 1.00 0.00 C ATOM 937 CG GLN A 573 30.568 12.530 41.229 1.00 0.00 C ATOM 938 CD GLN A 573 30.521 12.570 42.759 1.00 0.00 C ATOM 939 OE1 GLN A 573 29.762 13.306 43.379 1.00 0.00 O ATOM 940 NE2 GLN A 573 31.343 11.797 43.437 1.00 0.00 N ATOM 0 H GLN A 573 29.990 14.088 38.443 1.00 0.00 H new ATOM 0 HA GLN A 573 29.489 11.326 39.147 1.00 0.00 H new ATOM 0 HB2 GLN A 573 29.157 14.005 40.519 1.00 0.00 H new ATOM 0 HB3 GLN A 573 28.408 12.571 41.192 1.00 0.00 H new ATOM 0 HG2 GLN A 573 30.846 11.526 40.907 1.00 0.00 H new ATOM 0 HG3 GLN A 573 31.349 13.205 40.879 1.00 0.00 H new ATOM 0 HE21 GLN A 573 31.984 11.176 42.943 1.00 0.00 H new ATOM 0 HE22 GLN A 573 31.339 11.819 44.457 1.00 0.00 H new ATOM 949 N HIS A 574 27.178 12.653 37.570 1.00 0.00 N ATOM 950 CA HIS A 574 25.835 12.505 36.989 1.00 0.00 C ATOM 951 C HIS A 574 24.688 12.969 37.906 1.00 0.00 C ATOM 952 O HIS A 574 23.593 12.393 37.901 1.00 0.00 O ATOM 953 CB HIS A 574 25.663 11.092 36.413 1.00 0.00 C ATOM 954 CG HIS A 574 26.696 10.769 35.363 1.00 0.00 C ATOM 955 ND1 HIS A 574 26.703 11.206 34.059 1.00 0.00 N ATOM 956 CD2 HIS A 574 27.802 9.983 35.531 1.00 0.00 C ATOM 957 CE1 HIS A 574 27.795 10.712 33.456 1.00 0.00 C ATOM 958 NE2 HIS A 574 28.487 9.929 34.305 1.00 0.00 N ATOM 0 H HIS A 574 27.801 13.191 36.968 1.00 0.00 H new ATOM 0 HA HIS A 574 25.759 13.205 36.157 1.00 0.00 H new ATOM 0 HB2 HIS A 574 25.730 10.363 37.221 1.00 0.00 H new ATOM 0 HB3 HIS A 574 24.667 10.998 35.980 1.00 0.00 H new ATOM 0 HD2 HIS A 574 28.097 9.490 36.445 1.00 0.00 H new ATOM 0 HE1 HIS A 574 28.079 10.914 32.434 1.00 0.00 H new ATOM 0 HE2 HIS A 574 29.337 9.403 34.100 1.00 0.00 H new ATOM 966 N LYS A 575 24.945 14.017 38.697 1.00 0.00 N ATOM 967 CA LYS A 575 23.983 14.644 39.616 1.00 0.00 C ATOM 968 C LYS A 575 22.952 15.501 38.864 1.00 0.00 C ATOM 969 O LYS A 575 23.179 15.922 37.728 1.00 0.00 O ATOM 970 CB LYS A 575 24.760 15.435 40.691 1.00 0.00 C ATOM 971 CG LYS A 575 25.617 14.509 41.581 1.00 0.00 C ATOM 972 CD LYS A 575 26.855 15.161 42.214 1.00 0.00 C ATOM 973 CE LYS A 575 26.628 15.986 43.486 1.00 0.00 C ATOM 974 NZ LYS A 575 25.873 17.233 43.239 1.00 0.00 N ATOM 0 H LYS A 575 25.859 14.469 38.717 1.00 0.00 H new ATOM 0 HA LYS A 575 23.399 13.872 40.117 1.00 0.00 H new ATOM 0 HB2 LYS A 575 25.403 16.170 40.207 1.00 0.00 H new ATOM 0 HB3 LYS A 575 24.057 15.988 41.314 1.00 0.00 H new ATOM 0 HG2 LYS A 575 24.987 14.116 42.379 1.00 0.00 H new ATOM 0 HG3 LYS A 575 25.942 13.658 40.983 1.00 0.00 H new ATOM 0 HD2 LYS A 575 27.574 14.374 42.443 1.00 0.00 H new ATOM 0 HD3 LYS A 575 27.317 15.807 41.468 1.00 0.00 H new ATOM 0 HE2 LYS A 575 26.089 15.380 44.214 1.00 0.00 H new ATOM 0 HE3 LYS A 575 27.593 16.234 43.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 25.980 17.871 44.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 26.240 17.698 42.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 24.866 17.009 43.105 1.00 0.00 H new ATOM 988 N GLU A 576 21.803 15.745 39.490 1.00 0.00 N ATOM 989 CA GLU A 576 20.657 16.481 38.929 1.00 0.00 C ATOM 990 C GLU A 576 21.009 17.877 38.367 1.00 0.00 C ATOM 991 O GLU A 576 21.280 18.827 39.107 1.00 0.00 O ATOM 992 CB GLU A 576 19.512 16.556 39.955 1.00 0.00 C ATOM 993 CG GLU A 576 19.947 16.996 41.365 1.00 0.00 C ATOM 994 CD GLU A 576 20.457 15.864 42.270 1.00 0.00 C ATOM 995 OE1 GLU A 576 20.560 14.690 41.844 1.00 0.00 O ATOM 996 OE2 GLU A 576 20.801 16.141 43.440 1.00 0.00 O ATOM 0 H GLU A 576 21.631 15.424 40.443 1.00 0.00 H new ATOM 0 HA GLU A 576 20.325 15.908 38.063 1.00 0.00 H new ATOM 0 HB2 GLU A 576 18.757 17.251 39.588 1.00 0.00 H new ATOM 0 HB3 GLU A 576 19.038 15.577 40.024 1.00 0.00 H new ATOM 0 HG2 GLU A 576 20.732 17.746 41.269 1.00 0.00 H new ATOM 0 HG3 GLU A 576 19.102 17.480 41.855 1.00 0.00 H new ATOM 1003 N LEU A 577 20.976 18.007 37.036 1.00 0.00 N ATOM 1004 CA LEU A 577 21.469 19.167 36.288 1.00 0.00 C ATOM 1005 C LEU A 577 20.805 20.484 36.719 1.00 0.00 C ATOM 1006 O LEU A 577 21.495 21.471 36.977 1.00 0.00 O ATOM 1007 CB LEU A 577 21.250 18.867 34.791 1.00 0.00 C ATOM 1008 CG LEU A 577 21.604 20.005 33.816 1.00 0.00 C ATOM 1009 CD1 LEU A 577 23.086 20.379 33.841 1.00 0.00 C ATOM 1010 CD2 LEU A 577 21.205 19.634 32.389 1.00 0.00 C ATOM 0 H LEU A 577 20.592 17.282 36.430 1.00 0.00 H new ATOM 0 HA LEU A 577 22.528 19.317 36.497 1.00 0.00 H new ATOM 0 HB2 LEU A 577 21.842 17.991 34.526 1.00 0.00 H new ATOM 0 HB3 LEU A 577 20.203 18.601 34.643 1.00 0.00 H new ATOM 0 HG LEU A 577 21.040 20.875 34.152 1.00 0.00 H new ATOM 0 HD11 LEU A 577 23.270 21.186 33.132 1.00 0.00 H new ATOM 0 HD12 LEU A 577 23.362 20.707 34.843 1.00 0.00 H new ATOM 0 HD13 LEU A 577 23.685 19.511 33.565 1.00 0.00 H new ATOM 0 HD21 LEU A 577 21.463 20.451 31.715 1.00 0.00 H new ATOM 0 HD22 LEU A 577 21.736 18.732 32.086 1.00 0.00 H new ATOM 0 HD23 LEU A 577 20.131 19.454 32.347 1.00 0.00 H new ATOM 1022 N GLU A 578 19.474 20.498 36.838 1.00 0.00 N ATOM 1023 CA GLU A 578 18.720 21.724 37.135 1.00 0.00 C ATOM 1024 C GLU A 578 18.949 22.286 38.545 1.00 0.00 C ATOM 1025 O GLU A 578 18.799 23.495 38.744 1.00 0.00 O ATOM 1026 CB GLU A 578 17.223 21.510 36.884 1.00 0.00 C ATOM 1027 CG GLU A 578 16.930 21.295 35.391 1.00 0.00 C ATOM 1028 CD GLU A 578 15.473 21.579 35.003 1.00 0.00 C ATOM 1029 OE1 GLU A 578 15.134 21.430 33.804 1.00 0.00 O ATOM 1030 OE2 GLU A 578 14.645 21.971 35.859 1.00 0.00 O ATOM 0 H GLU A 578 18.891 19.668 36.733 1.00 0.00 H new ATOM 0 HA GLU A 578 19.110 22.477 36.450 1.00 0.00 H new ATOM 0 HB2 GLU A 578 16.877 20.647 37.452 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.665 22.374 37.245 1.00 0.00 H new ATOM 0 HG2 GLU A 578 17.585 21.939 34.804 1.00 0.00 H new ATOM 0 HG3 GLU A 578 17.174 20.266 35.126 1.00 0.00 H new ATOM 1037 N LYS A 579 19.358 21.456 39.513 1.00 0.00 N ATOM 1038 CA LYS A 579 19.839 21.912 40.830 1.00 0.00 C ATOM 1039 C LYS A 579 21.329 22.256 40.803 1.00 0.00 C ATOM 1040 O LYS A 579 21.718 23.326 41.267 1.00 0.00 O ATOM 1041 CB LYS A 579 19.543 20.866 41.920 1.00 0.00 C ATOM 1042 CG LYS A 579 18.061 20.710 42.305 1.00 0.00 C ATOM 1043 CD LYS A 579 17.456 21.974 42.945 1.00 0.00 C ATOM 1044 CE LYS A 579 16.153 21.705 43.717 1.00 0.00 C ATOM 1045 NZ LYS A 579 15.053 21.224 42.845 1.00 0.00 N ATOM 0 H LYS A 579 19.366 20.442 39.407 1.00 0.00 H new ATOM 0 HA LYS A 579 19.295 22.825 41.072 1.00 0.00 H new ATOM 0 HB2 LYS A 579 19.916 19.899 41.582 1.00 0.00 H new ATOM 0 HB3 LYS A 579 20.107 21.130 42.815 1.00 0.00 H new ATOM 0 HG2 LYS A 579 17.488 20.453 41.414 1.00 0.00 H new ATOM 0 HG3 LYS A 579 17.960 19.877 43.000 1.00 0.00 H new ATOM 0 HD2 LYS A 579 18.187 22.414 43.623 1.00 0.00 H new ATOM 0 HD3 LYS A 579 17.262 22.710 42.165 1.00 0.00 H new ATOM 0 HE2 LYS A 579 16.344 20.965 44.494 1.00 0.00 H new ATOM 0 HE3 LYS A 579 15.838 22.620 44.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 14.201 21.060 43.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 14.848 21.939 42.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 15.337 20.335 42.386 1.00 0.00 H new ATOM 1059 N CYS A 580 22.155 21.383 40.224 1.00 0.00 N ATOM 1060 CA CYS A 580 23.614 21.497 40.270 1.00 0.00 C ATOM 1061 C CYS A 580 24.184 22.702 39.491 1.00 0.00 C ATOM 1062 O CYS A 580 25.234 23.230 39.871 1.00 0.00 O ATOM 1063 CB CYS A 580 24.221 20.168 39.797 1.00 0.00 C ATOM 1064 SG CYS A 580 23.838 18.860 40.998 1.00 0.00 S ATOM 0 H CYS A 580 21.827 20.569 39.705 1.00 0.00 H new ATOM 0 HA CYS A 580 23.898 21.696 41.303 1.00 0.00 H new ATOM 0 HB2 CYS A 580 23.823 19.904 38.817 1.00 0.00 H new ATOM 0 HB3 CYS A 580 25.301 20.269 39.686 1.00 0.00 H new ATOM 0 HG CYS A 580 22.731 18.270 40.658 1.00 0.00 H new ATOM 1070 N ARG A 581 23.500 23.162 38.432 1.00 0.00 N ATOM 1071 CA ARG A 581 23.868 24.361 37.651 1.00 0.00 C ATOM 1072 C ARG A 581 23.788 25.665 38.457 1.00 0.00 C ATOM 1073 O ARG A 581 23.115 25.737 39.486 1.00 0.00 O ATOM 1074 CB ARG A 581 22.991 24.441 36.384 1.00 0.00 C ATOM 1075 CG ARG A 581 21.543 24.868 36.688 1.00 0.00 C ATOM 1076 CD ARG A 581 20.655 24.813 35.443 1.00 0.00 C ATOM 1077 NE ARG A 581 19.314 25.359 35.727 1.00 0.00 N ATOM 1078 CZ ARG A 581 18.221 25.249 34.993 1.00 0.00 C ATOM 1079 NH1 ARG A 581 18.149 24.564 33.893 1.00 0.00 N ATOM 1080 NH2 ARG A 581 17.116 25.840 35.335 1.00 0.00 N ATOM 0 H ARG A 581 22.658 22.704 38.085 1.00 0.00 H new ATOM 0 HA ARG A 581 24.916 24.253 37.371 1.00 0.00 H new ATOM 0 HB2 ARG A 581 23.435 25.149 35.684 1.00 0.00 H new ATOM 0 HB3 ARG A 581 22.983 23.469 35.891 1.00 0.00 H new ATOM 0 HG2 ARG A 581 21.128 24.218 37.458 1.00 0.00 H new ATOM 0 HG3 ARG A 581 21.541 25.881 37.090 1.00 0.00 H new ATOM 0 HD2 ARG A 581 21.119 25.379 34.635 1.00 0.00 H new ATOM 0 HD3 ARG A 581 20.567 23.782 35.100 1.00 0.00 H new ATOM 0 HE ARG A 581 19.219 25.885 36.596 1.00 0.00 H new ATOM 0 HH11 ARG A 581 18.970 24.068 33.546 1.00 0.00 H new ATOM 0 HH12 ARG A 581 17.271 24.522 33.375 1.00 0.00 H new ATOM 0 HH21 ARG A 581 17.080 26.403 36.185 1.00 0.00 H new ATOM 0 HH22 ARG A 581 16.284 25.742 34.753 1.00 0.00 H new ATOM 1094 N GLY A 582 24.426 26.708 37.930 1.00 0.00 N ATOM 1095 CA GLY A 582 24.390 28.077 38.462 1.00 0.00 C ATOM 1096 C GLY A 582 25.045 29.122 37.555 1.00 0.00 C ATOM 1097 O GLY A 582 25.687 28.787 36.558 1.00 0.00 O ATOM 0 H GLY A 582 25.003 26.625 37.093 1.00 0.00 H new ATOM 0 HA2 GLY A 582 23.352 28.361 38.633 1.00 0.00 H new ATOM 0 HA3 GLY A 582 24.888 28.091 39.432 1.00 0.00 H new ATOM 1101 N VAL A 583 24.905 30.397 37.930 1.00 0.00 N ATOM 1102 CA VAL A 583 25.600 31.546 37.329 1.00 0.00 C ATOM 1103 C VAL A 583 26.913 31.875 38.037 1.00 0.00 C ATOM 1104 O VAL A 583 27.012 31.803 39.259 1.00 0.00 O ATOM 1105 CB VAL A 583 24.717 32.807 37.235 1.00 0.00 C ATOM 1106 CG1 VAL A 583 23.399 32.548 36.517 1.00 0.00 C ATOM 1107 CG2 VAL A 583 24.370 33.406 38.597 1.00 0.00 C ATOM 0 H VAL A 583 24.281 30.671 38.689 1.00 0.00 H new ATOM 0 HA VAL A 583 25.832 31.230 36.312 1.00 0.00 H new ATOM 0 HB VAL A 583 25.329 33.509 36.668 1.00 0.00 H new ATOM 0 HG11 VAL A 583 22.818 33.469 36.480 1.00 0.00 H new ATOM 0 HG12 VAL A 583 23.599 32.204 35.502 1.00 0.00 H new ATOM 0 HG13 VAL A 583 22.836 31.785 37.054 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.747 34.290 38.458 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.828 32.670 39.191 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.287 33.686 39.116 1.00 0.00 H new ATOM 1117 N PHE A 584 27.910 32.297 37.273 1.00 0.00 N ATOM 1118 CA PHE A 584 29.225 32.722 37.768 1.00 0.00 C ATOM 1119 C PHE A 584 29.802 33.924 36.987 1.00 0.00 C ATOM 1120 O PHE A 584 29.430 34.135 35.825 1.00 0.00 O ATOM 1121 CB PHE A 584 30.184 31.524 37.794 1.00 0.00 C ATOM 1122 CG PHE A 584 30.350 30.852 36.451 1.00 0.00 C ATOM 1123 CD1 PHE A 584 29.466 29.833 36.055 1.00 0.00 C ATOM 1124 CD2 PHE A 584 31.366 31.280 35.579 1.00 0.00 C ATOM 1125 CE1 PHE A 584 29.615 29.223 34.801 1.00 0.00 C ATOM 1126 CE2 PHE A 584 31.504 30.684 34.317 1.00 0.00 C ATOM 1127 CZ PHE A 584 30.637 29.642 33.937 1.00 0.00 C ATOM 0 H PHE A 584 27.830 32.357 36.258 1.00 0.00 H new ATOM 0 HA PHE A 584 29.098 33.083 38.789 1.00 0.00 H new ATOM 0 HB2 PHE A 584 31.160 31.858 38.147 1.00 0.00 H new ATOM 0 HB3 PHE A 584 29.818 30.792 38.514 1.00 0.00 H new ATOM 0 HD1 PHE A 584 28.672 29.520 36.717 1.00 0.00 H new ATOM 0 HD2 PHE A 584 32.040 32.068 35.881 1.00 0.00 H new ATOM 0 HE1 PHE A 584 28.944 28.432 34.501 1.00 0.00 H new ATOM 0 HE2 PHE A 584 32.273 31.023 33.639 1.00 0.00 H new ATOM 0 HZ PHE A 584 30.759 29.164 32.977 1.00 0.00 H new ATOM 1137 N PRO A 585 30.705 34.725 37.588 1.00 0.00 N ATOM 1138 CA PRO A 585 31.429 35.770 36.867 1.00 0.00 C ATOM 1139 C PRO A 585 32.418 35.137 35.881 1.00 0.00 C ATOM 1140 O PRO A 585 33.432 34.567 36.281 1.00 0.00 O ATOM 1141 CB PRO A 585 32.134 36.588 37.948 1.00 0.00 C ATOM 1142 CG PRO A 585 32.351 35.586 39.082 1.00 0.00 C ATOM 1143 CD PRO A 585 31.143 34.664 38.980 1.00 0.00 C ATOM 0 HA PRO A 585 30.774 36.405 36.270 1.00 0.00 H new ATOM 0 HB2 PRO A 585 33.079 36.996 37.588 1.00 0.00 H new ATOM 0 HB3 PRO A 585 31.525 37.432 38.271 1.00 0.00 H new ATOM 0 HG2 PRO A 585 33.285 35.038 38.960 1.00 0.00 H new ATOM 0 HG3 PRO A 585 32.397 36.081 40.052 1.00 0.00 H new ATOM 0 HD2 PRO A 585 31.406 33.644 39.262 1.00 0.00 H new ATOM 0 HD3 PRO A 585 30.349 34.986 39.653 1.00 0.00 H new ATOM 1151 N GLU A 586 32.157 35.254 34.579 1.00 0.00 N ATOM 1152 CA GLU A 586 33.021 34.679 33.532 1.00 0.00 C ATOM 1153 C GLU A 586 34.476 35.178 33.602 1.00 0.00 C ATOM 1154 O GLU A 586 35.396 34.468 33.188 1.00 0.00 O ATOM 1155 CB GLU A 586 32.413 34.981 32.155 1.00 0.00 C ATOM 1156 CG GLU A 586 32.548 36.453 31.732 1.00 0.00 C ATOM 1157 CD GLU A 586 31.705 36.798 30.496 1.00 0.00 C ATOM 1158 OE1 GLU A 586 31.574 35.956 29.579 1.00 0.00 O ATOM 1159 OE2 GLU A 586 31.151 37.922 30.430 1.00 0.00 O ATOM 0 H GLU A 586 31.343 35.748 34.214 1.00 0.00 H new ATOM 0 HA GLU A 586 33.065 33.603 33.699 1.00 0.00 H new ATOM 0 HB2 GLU A 586 32.896 34.351 31.408 1.00 0.00 H new ATOM 0 HB3 GLU A 586 31.357 34.710 32.166 1.00 0.00 H new ATOM 0 HG2 GLU A 586 32.247 37.093 32.561 1.00 0.00 H new ATOM 0 HG3 GLU A 586 33.595 36.672 31.524 1.00 0.00 H new ATOM 1166 N ASN A 587 34.691 36.368 34.177 1.00 0.00 N ATOM 1167 CA ASN A 587 36.002 36.976 34.397 1.00 0.00 C ATOM 1168 C ASN A 587 36.857 36.279 35.478 1.00 0.00 C ATOM 1169 O ASN A 587 38.047 36.577 35.608 1.00 0.00 O ATOM 1170 CB ASN A 587 35.829 38.482 34.667 1.00 0.00 C ATOM 1171 CG ASN A 587 34.830 38.835 35.755 1.00 0.00 C ATOM 1172 OD1 ASN A 587 33.627 38.670 35.614 1.00 0.00 O ATOM 1173 ND2 ASN A 587 35.268 39.416 36.841 1.00 0.00 N ATOM 0 H ASN A 587 33.926 36.953 34.513 1.00 0.00 H new ATOM 0 HA ASN A 587 36.577 36.836 33.482 1.00 0.00 H new ATOM 0 HB2 ASN A 587 36.799 38.900 34.937 1.00 0.00 H new ATOM 0 HB3 ASN A 587 35.520 38.967 33.741 1.00 0.00 H new ATOM 0 HD21 ASN A 587 34.609 39.724 37.556 1.00 0.00 H new ATOM 0 HD22 ASN A 587 36.269 39.561 36.974 1.00 0.00 H new ATOM 1180 N PHE A 588 36.281 35.340 36.236 1.00 0.00 N ATOM 1181 CA PHE A 588 37.013 34.380 37.071 1.00 0.00 C ATOM 1182 C PHE A 588 37.607 33.154 36.355 1.00 0.00 C ATOM 1183 O PHE A 588 38.414 32.419 36.928 1.00 0.00 O ATOM 1184 CB PHE A 588 36.198 34.002 38.319 1.00 0.00 C ATOM 1185 CG PHE A 588 36.213 35.028 39.441 1.00 0.00 C ATOM 1186 CD1 PHE A 588 35.610 36.295 39.289 1.00 0.00 C ATOM 1187 CD2 PHE A 588 36.819 34.698 40.666 1.00 0.00 C ATOM 1188 CE1 PHE A 588 35.637 37.224 40.342 1.00 0.00 C ATOM 1189 CE2 PHE A 588 36.853 35.631 41.717 1.00 0.00 C ATOM 1190 CZ PHE A 588 36.268 36.897 41.552 1.00 0.00 C ATOM 0 H PHE A 588 35.269 35.223 36.288 1.00 0.00 H new ATOM 0 HA PHE A 588 37.907 34.921 37.381 1.00 0.00 H new ATOM 0 HB2 PHE A 588 35.164 33.831 38.019 1.00 0.00 H new ATOM 0 HB3 PHE A 588 36.578 33.057 38.708 1.00 0.00 H new ATOM 0 HD1 PHE A 588 35.125 36.551 38.358 1.00 0.00 H new ATOM 0 HD2 PHE A 588 37.261 33.722 40.800 1.00 0.00 H new ATOM 0 HE1 PHE A 588 35.172 38.191 40.220 1.00 0.00 H new ATOM 0 HE2 PHE A 588 37.329 35.374 42.652 1.00 0.00 H new ATOM 0 HZ PHE A 588 36.304 37.618 42.355 1.00 0.00 H new ATOM 1200 N THR A 589 37.204 32.915 35.103 1.00 0.00 N ATOM 1201 CA THR A 589 37.501 31.704 34.327 1.00 0.00 C ATOM 1202 C THR A 589 38.116 32.071 32.966 1.00 0.00 C ATOM 1203 O THR A 589 38.259 33.245 32.623 1.00 0.00 O ATOM 1204 CB THR A 589 36.203 30.896 34.132 1.00 0.00 C ATOM 1205 OG1 THR A 589 35.164 31.678 33.576 1.00 0.00 O ATOM 1206 CG2 THR A 589 35.651 30.258 35.421 1.00 0.00 C ATOM 0 H THR A 589 36.640 33.585 34.581 1.00 0.00 H new ATOM 0 HA THR A 589 38.226 31.098 34.870 1.00 0.00 H new ATOM 0 HB THR A 589 36.504 30.102 33.449 1.00 0.00 H new ATOM 0 HG1 THR A 589 35.500 32.578 33.383 1.00 0.00 H new ATOM 0 HG21 THR A 589 34.737 29.709 35.193 1.00 0.00 H new ATOM 0 HG22 THR A 589 36.392 29.574 35.835 1.00 0.00 H new ATOM 0 HG23 THR A 589 35.432 31.039 36.149 1.00 0.00 H new ATOM 1214 N GLU A 590 38.496 31.064 32.180 1.00 0.00 N ATOM 1215 CA GLU A 590 38.967 31.208 30.795 1.00 0.00 C ATOM 1216 C GLU A 590 38.309 30.165 29.887 1.00 0.00 C ATOM 1217 O GLU A 590 38.051 29.045 30.324 1.00 0.00 O ATOM 1218 CB GLU A 590 40.499 31.084 30.716 1.00 0.00 C ATOM 1219 CG GLU A 590 41.015 29.641 30.866 1.00 0.00 C ATOM 1220 CD GLU A 590 42.532 29.563 31.029 1.00 0.00 C ATOM 1221 OE1 GLU A 590 43.035 28.555 31.579 1.00 0.00 O ATOM 1222 OE2 GLU A 590 43.265 30.514 30.662 1.00 0.00 O ATOM 0 H GLU A 590 38.486 30.094 32.495 1.00 0.00 H new ATOM 0 HA GLU A 590 38.683 32.202 30.450 1.00 0.00 H new ATOM 0 HB2 GLU A 590 40.838 31.483 29.760 1.00 0.00 H new ATOM 0 HB3 GLU A 590 40.945 31.702 31.495 1.00 0.00 H new ATOM 0 HG2 GLU A 590 40.538 29.179 31.730 1.00 0.00 H new ATOM 0 HG3 GLU A 590 40.719 29.062 29.991 1.00 0.00 H new ATOM 1229 N ARG A 591 38.080 30.503 28.619 1.00 0.00 N ATOM 1230 CA ARG A 591 37.594 29.580 27.583 1.00 0.00 C ATOM 1231 C ARG A 591 38.544 28.394 27.348 1.00 0.00 C ATOM 1232 O ARG A 591 39.762 28.564 27.231 1.00 0.00 O ATOM 1233 CB ARG A 591 37.368 30.363 26.272 1.00 0.00 C ATOM 1234 CG ARG A 591 35.923 30.281 25.763 1.00 0.00 C ATOM 1235 CD ARG A 591 35.514 28.867 25.329 1.00 0.00 C ATOM 1236 NE ARG A 591 36.255 28.415 24.141 1.00 0.00 N ATOM 1237 CZ ARG A 591 35.917 28.583 22.877 1.00 0.00 C ATOM 1238 NH1 ARG A 591 34.845 29.206 22.486 1.00 0.00 N ATOM 1239 NH2 ARG A 591 36.692 28.119 21.948 1.00 0.00 N ATOM 0 H ARG A 591 38.230 31.450 28.270 1.00 0.00 H new ATOM 0 HA ARG A 591 36.654 29.153 27.932 1.00 0.00 H new ATOM 0 HB2 ARG A 591 37.632 31.409 26.430 1.00 0.00 H new ATOM 0 HB3 ARG A 591 38.039 29.977 25.505 1.00 0.00 H new ATOM 0 HG2 ARG A 591 35.248 30.623 26.548 1.00 0.00 H new ATOM 0 HG3 ARG A 591 35.802 30.962 24.920 1.00 0.00 H new ATOM 0 HD2 ARG A 591 35.688 28.172 26.150 1.00 0.00 H new ATOM 0 HD3 ARG A 591 34.445 28.849 25.117 1.00 0.00 H new ATOM 0 HE ARG A 591 37.128 27.916 24.314 1.00 0.00 H new ATOM 0 HH11 ARG A 591 34.205 29.601 23.175 1.00 0.00 H new ATOM 0 HH12 ARG A 591 34.644 29.300 21.490 1.00 0.00 H new ATOM 0 HH21 ARG A 591 37.552 27.631 22.198 1.00 0.00 H new ATOM 0 HH22 ARG A 591 36.442 28.242 20.967 1.00 0.00 H new ATOM 1253 N VAL A 592 37.954 27.206 27.220 1.00 0.00 N ATOM 1254 CA VAL A 592 38.615 25.918 26.930 1.00 0.00 C ATOM 1255 C VAL A 592 37.747 25.110 25.934 1.00 0.00 C ATOM 1256 O VAL A 592 36.529 25.313 25.881 1.00 0.00 O ATOM 1257 CB VAL A 592 38.782 25.088 28.222 1.00 0.00 C ATOM 1258 CG1 VAL A 592 40.035 25.515 28.993 1.00 0.00 C ATOM 1259 CG2 VAL A 592 37.576 25.196 29.161 1.00 0.00 C ATOM 0 H VAL A 592 36.944 27.102 27.320 1.00 0.00 H new ATOM 0 HA VAL A 592 39.598 26.122 26.505 1.00 0.00 H new ATOM 0 HB VAL A 592 38.872 24.052 27.895 1.00 0.00 H new ATOM 0 HG11 VAL A 592 40.128 24.914 29.898 1.00 0.00 H new ATOM 0 HG12 VAL A 592 40.915 25.367 28.367 1.00 0.00 H new ATOM 0 HG13 VAL A 592 39.955 26.568 29.263 1.00 0.00 H new ATOM 0 HG21 VAL A 592 37.752 24.592 30.051 1.00 0.00 H new ATOM 0 HG22 VAL A 592 37.433 26.237 29.452 1.00 0.00 H new ATOM 0 HG23 VAL A 592 36.683 24.837 28.649 1.00 0.00 H new ATOM 1328 N PRO B1731 40.228 39.210 40.357 1.00 0.00 N ATOM 1329 CA PRO B1731 39.044 39.795 39.715 1.00 0.00 C ATOM 1330 C PRO B1731 37.881 40.088 40.687 1.00 0.00 C ATOM 1331 O PRO B1731 37.922 39.758 41.874 1.00 0.00 O ATOM 1332 CB PRO B1731 38.651 38.791 38.617 1.00 0.00 C ATOM 1333 CG PRO B1731 39.179 37.457 39.127 1.00 0.00 C ATOM 1334 CD PRO B1731 40.462 37.869 39.833 1.00 0.00 C ATOM 0 HA PRO B1731 39.276 40.780 39.311 1.00 0.00 H new ATOM 0 HB2 PRO B1731 37.571 38.763 38.471 1.00 0.00 H new ATOM 0 HB3 PRO B1731 39.096 39.055 37.658 1.00 0.00 H new ATOM 0 HG2 PRO B1731 38.477 36.974 39.807 1.00 0.00 H new ATOM 0 HG3 PRO B1731 39.368 36.756 38.314 1.00 0.00 H new ATOM 0 HD2 PRO B1731 40.704 37.174 40.637 1.00 0.00 H new ATOM 0 HD3 PRO B1731 41.305 37.863 39.142 1.00 0.00 H new ATOM 1342 N VAL B1732 36.821 40.717 40.166 1.00 0.00 N ATOM 1343 CA VAL B1732 35.599 41.088 40.908 1.00 0.00 C ATOM 1344 C VAL B1732 34.335 40.854 40.076 1.00 0.00 C ATOM 1345 O VAL B1732 34.319 41.129 38.873 1.00 0.00 O ATOM 1346 CB VAL B1732 35.710 42.527 41.457 1.00 0.00 C ATOM 1347 CG1 VAL B1732 35.680 43.602 40.365 1.00 0.00 C ATOM 1348 CG2 VAL B1732 34.604 42.835 42.470 1.00 0.00 C ATOM 0 H VAL B1732 36.784 40.993 39.185 1.00 0.00 H new ATOM 0 HA VAL B1732 35.507 40.428 41.771 1.00 0.00 H new ATOM 0 HB VAL B1732 36.685 42.562 41.944 1.00 0.00 H new ATOM 0 HG11 VAL B1732 35.762 44.588 40.823 1.00 0.00 H new ATOM 0 HG12 VAL B1732 36.514 43.449 39.681 1.00 0.00 H new ATOM 0 HG13 VAL B1732 34.742 43.535 39.814 1.00 0.00 H new ATOM 0 HG21 VAL B1732 34.717 43.857 42.833 1.00 0.00 H new ATOM 0 HG22 VAL B1732 33.631 42.726 41.991 1.00 0.00 H new ATOM 0 HG23 VAL B1732 34.675 42.142 43.309 1.00 0.00 H new ATOM 1358 N ALA B1733 33.289 40.283 40.674 1.00 0.00 N ATOM 1359 CA ALA B1733 32.058 39.938 39.961 1.00 0.00 C ATOM 1360 C ALA B1733 31.235 41.185 39.537 1.00 0.00 C ATOM 1361 O ALA B1733 31.147 42.152 40.301 1.00 0.00 O ATOM 1362 CB ALA B1733 31.239 38.976 40.828 1.00 0.00 C ATOM 0 H ALA B1733 33.271 40.047 41.666 1.00 0.00 H new ATOM 0 HA ALA B1733 32.326 39.446 39.026 1.00 0.00 H new ATOM 0 HB1 ALA B1733 30.319 38.711 40.308 1.00 0.00 H new ATOM 0 HB2 ALA B1733 31.820 38.074 41.019 1.00 0.00 H new ATOM 0 HB3 ALA B1733 30.995 39.458 41.775 1.00 0.00 H new ATOM 1368 N PRO B1734 30.610 41.182 38.340 1.00 0.00 N ATOM 1369 CA PRO B1734 29.716 42.259 37.909 1.00 0.00 C ATOM 1370 C PRO B1734 28.355 42.203 38.633 1.00 0.00 C ATOM 1371 O PRO B1734 28.000 41.167 39.203 1.00 0.00 O ATOM 1372 CB PRO B1734 29.586 42.097 36.391 1.00 0.00 C ATOM 1373 CG PRO B1734 29.882 40.621 36.122 1.00 0.00 C ATOM 1374 CD PRO B1734 30.689 40.136 37.327 1.00 0.00 C ATOM 0 HA PRO B1734 30.115 43.241 38.163 1.00 0.00 H new ATOM 0 HB2 PRO B1734 28.587 42.367 36.050 1.00 0.00 H new ATOM 0 HB3 PRO B1734 30.288 42.743 35.864 1.00 0.00 H new ATOM 0 HG2 PRO B1734 28.960 40.050 36.013 1.00 0.00 H new ATOM 0 HG3 PRO B1734 30.446 40.497 35.197 1.00 0.00 H new ATOM 0 HD2 PRO B1734 30.286 39.198 37.709 1.00 0.00 H new ATOM 0 HD3 PRO B1734 31.725 39.948 37.047 1.00 0.00 H new ATOM 1382 N PRO B1735 27.543 43.273 38.614 1.00 0.00 N ATOM 1383 CA PRO B1735 26.233 43.281 39.270 1.00 0.00 C ATOM 1384 C PRO B1735 25.250 42.291 38.615 1.00 0.00 C ATOM 1385 O PRO B1735 25.299 42.063 37.402 1.00 0.00 O ATOM 1386 CB PRO B1735 25.748 44.733 39.193 1.00 0.00 C ATOM 1387 CG PRO B1735 26.474 45.301 37.974 1.00 0.00 C ATOM 1388 CD PRO B1735 27.796 44.536 37.935 1.00 0.00 C ATOM 0 HA PRO B1735 26.300 42.945 40.305 1.00 0.00 H new ATOM 0 HB2 PRO B1735 24.666 44.787 39.074 1.00 0.00 H new ATOM 0 HB3 PRO B1735 25.997 45.286 40.099 1.00 0.00 H new ATOM 0 HG2 PRO B1735 25.899 45.148 37.061 1.00 0.00 H new ATOM 0 HG3 PRO B1735 26.638 46.374 38.072 1.00 0.00 H new ATOM 0 HD2 PRO B1735 28.121 44.370 36.908 1.00 0.00 H new ATOM 0 HD3 PRO B1735 28.587 45.096 38.433 1.00 0.00 H new