USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 521 GLN : amide:sc= -7.33! C(o=-8.8!,f=-9.2!) USER MOD Set 1.2: A 550 ASN : amide:sc= -1.5 K(o=-8.8,f=-5.6) USER MOD Set 2.1: A 512 ASN : amide:sc= -3.98 K(o=-4.5,f=-1.6) USER MOD Set 2.2: A 516 HIS : no HD1:sc= -0.496 K(o=-4.5,f=-1.6) USER MOD Single : A 508 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.8!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -3.82 K(o=-3.8,f=-6.3!) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot -35:sc= -1.77 USER MOD Single : A 534 TYR OH : rot 180:sc= -0.0669 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl -144:sc= -5.28! (180deg=-6.93!) USER MOD Single : A 549 HIS : no HD1:sc= -4.13 K(o=-4.1,f=-5.2!) USER MOD Single : A 551 GLN : amide:sc= -4.25 K(o=-4.3,f=-6.7!) USER MOD Single : A 560 GLN : amide:sc= -2.57 K(o=-2.6,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -9.476 -10.027 -0.991 1.00 0.00 N ATOM 2 CA ALA A 507 -10.479 -10.300 0.071 1.00 0.00 C ATOM 3 C ALA A 507 -9.843 -10.236 1.454 1.00 0.00 C ATOM 4 O ALA A 507 -8.962 -11.031 1.781 1.00 0.00 O ATOM 5 CB ALA A 507 -11.121 -11.661 -0.151 1.00 0.00 C ATOM 0 HA ALA A 507 -11.250 -9.531 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -11.854 -11.850 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -11.616 -11.676 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -10.353 -12.434 -0.124 1.00 0.00 H new ATOM 13 N GLN A 508 -10.293 -9.281 2.264 1.00 0.00 N ATOM 14 CA GLN A 508 -9.764 -9.111 3.614 1.00 0.00 C ATOM 15 C GLN A 508 -10.460 -7.955 4.332 1.00 0.00 C ATOM 16 O GLN A 508 -10.560 -6.853 3.794 1.00 0.00 O ATOM 17 CB GLN A 508 -8.256 -8.859 3.565 1.00 0.00 C ATOM 18 CG GLN A 508 -7.836 -7.907 2.456 1.00 0.00 C ATOM 19 CD GLN A 508 -6.331 -7.743 2.366 1.00 0.00 C ATOM 20 OE1 GLN A 508 -5.581 -8.365 3.119 1.00 0.00 O ATOM 21 NE2 GLN A 508 -5.881 -6.902 1.443 1.00 0.00 N ATOM 0 H GLN A 508 -11.022 -8.614 2.009 1.00 0.00 H new ATOM 0 HA GLN A 508 -9.956 -10.029 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -7.932 -8.453 4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -7.741 -9.810 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -8.215 -8.276 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.294 -6.933 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -6.538 -6.407 0.840 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -4.878 -6.751 1.337 1.00 0.00 H new ATOM 30 N PRO A 509 -10.959 -8.190 5.560 1.00 0.00 N ATOM 31 CA PRO A 509 -11.651 -7.174 6.348 1.00 0.00 C ATOM 32 C PRO A 509 -10.702 -6.389 7.248 1.00 0.00 C ATOM 33 O PRO A 509 -10.088 -6.943 8.159 1.00 0.00 O ATOM 34 CB PRO A 509 -12.577 -8.027 7.191 1.00 0.00 C ATOM 35 CG PRO A 509 -11.716 -9.187 7.533 1.00 0.00 C ATOM 36 CD PRO A 509 -10.904 -9.473 6.291 1.00 0.00 C ATOM 0 HA PRO A 509 -12.142 -6.420 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.919 -7.498 8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.466 -8.330 6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -11.069 -8.958 8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.317 -10.051 7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -9.880 -9.756 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -11.331 -10.289 5.708 1.00 0.00 H new ATOM 44 N LYS A 510 -10.599 -5.100 6.986 1.00 0.00 N ATOM 45 CA LYS A 510 -9.729 -4.218 7.770 1.00 0.00 C ATOM 46 C LYS A 510 -10.176 -2.767 7.658 1.00 0.00 C ATOM 47 O LYS A 510 -10.393 -2.085 8.660 1.00 0.00 O ATOM 48 CB LYS A 510 -8.277 -4.350 7.307 1.00 0.00 C ATOM 49 CG LYS A 510 -7.514 -5.469 7.998 1.00 0.00 C ATOM 50 CD LYS A 510 -7.446 -5.253 9.504 1.00 0.00 C ATOM 51 CE LYS A 510 -7.889 -6.493 10.266 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.689 -6.344 11.735 1.00 0.00 N ATOM 0 H LYS A 510 -11.106 -4.631 6.235 1.00 0.00 H new ATOM 0 HA LYS A 510 -9.800 -4.522 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.262 -4.523 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -7.761 -3.407 7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.997 -6.423 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -6.504 -5.527 7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.426 -4.994 9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -8.079 -4.409 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.942 -6.688 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.329 -7.358 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -8.003 -7.210 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.681 -6.183 11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -8.243 -5.535 12.081 1.00 0.00 H new ATOM 66 N CYS A 511 -10.304 -2.315 6.423 1.00 0.00 N ATOM 67 CA CYS A 511 -10.724 -0.950 6.107 1.00 0.00 C ATOM 68 C CYS A 511 -9.585 0.044 6.259 1.00 0.00 C ATOM 69 O CYS A 511 -9.758 1.136 6.800 1.00 0.00 O ATOM 70 CB CYS A 511 -11.936 -0.527 6.941 1.00 0.00 C ATOM 71 SG CYS A 511 -13.488 -0.437 5.986 1.00 0.00 S ATOM 0 H CYS A 511 -10.119 -2.887 5.599 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.022 -0.947 5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.065 -1.232 7.762 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.737 0.448 7.387 1.00 0.00 H new ATOM 76 N ASN A 512 -8.427 -0.333 5.737 1.00 0.00 N ATOM 77 CA ASN A 512 -7.258 0.532 5.768 1.00 0.00 C ATOM 78 C ASN A 512 -6.563 0.569 4.400 1.00 0.00 C ATOM 79 O ASN A 512 -5.337 0.661 4.326 1.00 0.00 O ATOM 80 CB ASN A 512 -6.278 0.068 6.851 1.00 0.00 C ATOM 81 CG ASN A 512 -5.025 0.929 6.933 1.00 0.00 C ATOM 82 OD1 ASN A 512 -3.976 0.468 7.382 1.00 0.00 O ATOM 83 ND2 ASN A 512 -5.121 2.186 6.501 1.00 0.00 N ATOM 0 H ASN A 512 -8.272 -1.235 5.286 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.592 1.542 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.782 0.078 7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -5.990 -0.964 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.308 2.801 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -6.008 2.533 6.135 1.00 0.00 H new ATOM 90 N PRO A 513 -7.328 0.497 3.286 1.00 0.00 N ATOM 91 CA PRO A 513 -6.754 0.522 1.940 1.00 0.00 C ATOM 92 C PRO A 513 -6.426 1.941 1.458 1.00 0.00 C ATOM 93 O PRO A 513 -5.398 2.504 1.836 1.00 0.00 O ATOM 94 CB PRO A 513 -7.859 -0.106 1.095 1.00 0.00 C ATOM 95 CG PRO A 513 -9.115 0.332 1.767 1.00 0.00 C ATOM 96 CD PRO A 513 -8.803 0.376 3.241 1.00 0.00 C ATOM 0 HA PRO A 513 -5.800 -0.003 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -7.817 0.239 0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -7.776 -1.193 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.430 1.311 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -9.930 -0.362 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.289 1.222 3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.146 -0.525 3.750 1.00 0.00 H new ATOM 104 N ASN A 514 -7.287 2.512 0.609 1.00 0.00 N ATOM 105 CA ASN A 514 -7.059 3.846 0.075 1.00 0.00 C ATOM 106 C ASN A 514 -7.449 4.934 1.074 1.00 0.00 C ATOM 107 O ASN A 514 -7.401 6.122 0.756 1.00 0.00 O ATOM 108 CB ASN A 514 -7.828 4.022 -1.238 1.00 0.00 C ATOM 109 CG ASN A 514 -9.324 4.190 -1.033 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.767 5.080 -0.309 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.110 3.336 -1.678 1.00 0.00 N ATOM 0 H ASN A 514 -8.144 2.067 0.281 1.00 0.00 H new ATOM 0 HA ASN A 514 -5.991 3.951 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.439 4.893 -1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.649 3.156 -1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.123 3.404 -1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.700 2.612 -2.269 1.00 0.00 H new ATOM 118 N LEU A 515 -7.823 4.533 2.282 1.00 0.00 N ATOM 119 CA LEU A 515 -8.199 5.487 3.311 1.00 0.00 C ATOM 120 C LEU A 515 -7.034 5.706 4.265 1.00 0.00 C ATOM 121 O LEU A 515 -7.198 5.733 5.484 1.00 0.00 O ATOM 122 CB LEU A 515 -9.440 4.997 4.060 1.00 0.00 C ATOM 123 CG LEU A 515 -10.690 4.836 3.187 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.851 6.036 2.262 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.616 3.546 2.381 1.00 0.00 C ATOM 0 H LEU A 515 -7.873 3.556 2.571 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.443 6.441 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.212 4.038 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.663 5.697 4.865 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.562 4.784 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.743 5.906 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -10.949 6.944 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -9.976 6.118 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.512 3.449 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.736 3.569 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.547 2.696 3.060 1.00 0.00 H new ATOM 137 N HIS A 516 -5.849 5.856 3.679 1.00 0.00 N ATOM 138 CA HIS A 516 -4.618 6.071 4.433 1.00 0.00 C ATOM 139 C HIS A 516 -3.408 5.970 3.507 1.00 0.00 C ATOM 140 O HIS A 516 -2.393 6.626 3.726 1.00 0.00 O ATOM 141 CB HIS A 516 -4.495 5.051 5.571 1.00 0.00 C ATOM 142 CG HIS A 516 -4.399 5.679 6.927 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.656 4.992 8.095 1.00 0.00 N ATOM 144 CD2 HIS A 516 -4.071 6.939 7.299 1.00 0.00 C ATOM 145 CE1 HIS A 516 -4.492 5.803 9.126 1.00 0.00 C ATOM 146 NE2 HIS A 516 -4.136 6.989 8.669 1.00 0.00 N ATOM 0 H HIS A 516 -5.716 5.832 2.668 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.651 7.071 4.866 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.358 4.386 5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.613 4.434 5.402 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.807 7.753 6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -4.626 5.540 10.165 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -3.941 7.810 9.242 1.00 0.00 H new ATOM 155 N TYR A 517 -3.532 5.137 2.472 1.00 0.00 N ATOM 156 CA TYR A 517 -2.461 4.927 1.494 1.00 0.00 C ATOM 157 C TYR A 517 -1.720 6.228 1.171 1.00 0.00 C ATOM 158 O TYR A 517 -0.492 6.250 1.085 1.00 0.00 O ATOM 159 CB TYR A 517 -3.041 4.302 0.217 1.00 0.00 C ATOM 160 CG TYR A 517 -3.765 5.281 -0.687 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.858 6.005 -0.228 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.361 5.473 -2.004 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.526 6.892 -1.049 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.023 6.361 -2.831 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.104 7.068 -2.349 1.00 0.00 C ATOM 166 OH TYR A 517 -5.764 7.952 -3.171 1.00 0.00 O ATOM 0 H TYR A 517 -4.374 4.591 2.288 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.733 4.244 1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.231 3.837 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.731 3.507 0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.192 5.872 0.790 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.516 4.919 -2.387 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.375 7.445 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.695 6.500 -3.850 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.339 7.958 -4.054 1.00 0.00 H new ATOM 176 N TRP A 518 -2.476 7.307 1.004 1.00 0.00 N ATOM 177 CA TRP A 518 -1.906 8.618 0.705 1.00 0.00 C ATOM 178 C TRP A 518 -1.060 9.107 1.874 1.00 0.00 C ATOM 179 O TRP A 518 -1.504 9.931 2.674 1.00 0.00 O ATOM 180 CB TRP A 518 -3.029 9.619 0.428 1.00 0.00 C ATOM 181 CG TRP A 518 -4.170 9.488 1.392 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.110 8.995 2.664 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.538 9.840 1.162 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.355 9.015 3.237 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.250 9.535 2.338 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.227 10.385 0.078 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.620 9.757 2.457 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.587 10.606 0.197 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.270 10.293 1.379 1.00 0.00 C ATOM 0 H TRP A 518 -3.494 7.300 1.071 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.271 8.531 -0.177 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.629 10.632 0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.398 9.474 -0.587 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.212 8.641 3.148 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.579 8.695 4.179 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.708 10.630 -0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.150 9.515 3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.131 11.027 -0.635 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.332 10.479 1.441 1.00 0.00 H new ATOM 200 N THR A 519 0.154 8.585 1.978 1.00 0.00 N ATOM 201 CA THR A 519 1.049 8.959 3.064 1.00 0.00 C ATOM 202 C THR A 519 2.465 8.480 2.782 1.00 0.00 C ATOM 203 O THR A 519 3.412 9.267 2.758 1.00 0.00 O ATOM 204 CB THR A 519 0.540 8.352 4.366 1.00 0.00 C ATOM 205 OG1 THR A 519 1.480 8.529 5.411 1.00 0.00 O ATOM 206 CG2 THR A 519 0.238 6.873 4.258 1.00 0.00 C ATOM 0 H THR A 519 0.541 7.903 1.326 1.00 0.00 H new ATOM 0 HA THR A 519 1.069 10.045 3.150 1.00 0.00 H new ATOM 0 HB THR A 519 -0.388 8.880 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.130 8.133 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.120 6.504 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.528 6.713 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.144 6.336 3.978 1.00 0.00 H new ATOM 214 N THR A 520 2.589 7.183 2.551 1.00 0.00 N ATOM 215 CA THR A 520 3.870 6.574 2.245 1.00 0.00 C ATOM 216 C THR A 520 3.800 5.886 0.888 1.00 0.00 C ATOM 217 O THR A 520 4.793 5.350 0.398 1.00 0.00 O ATOM 218 CB THR A 520 4.263 5.570 3.332 1.00 0.00 C ATOM 219 OG1 THR A 520 5.584 5.102 3.126 1.00 0.00 O ATOM 220 CG2 THR A 520 3.353 4.361 3.395 1.00 0.00 C ATOM 0 H THR A 520 1.808 6.527 2.570 1.00 0.00 H new ATOM 0 HA THR A 520 4.631 7.353 2.211 1.00 0.00 H new ATOM 0 HB THR A 520 4.176 6.116 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.759 5.028 2.165 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.690 3.692 4.187 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.333 4.684 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.380 3.835 2.441 1.00 0.00 H new ATOM 228 N GLN A 521 2.612 5.911 0.280 1.00 0.00 N ATOM 229 CA GLN A 521 2.413 5.300 -1.016 1.00 0.00 C ATOM 230 C GLN A 521 2.432 6.368 -2.111 1.00 0.00 C ATOM 231 O GLN A 521 2.985 6.171 -3.193 1.00 0.00 O ATOM 232 CB GLN A 521 1.102 4.498 -1.035 1.00 0.00 C ATOM 233 CG GLN A 521 -0.096 5.266 -1.565 1.00 0.00 C ATOM 234 CD GLN A 521 -0.132 5.306 -3.076 1.00 0.00 C ATOM 235 OE1 GLN A 521 0.002 4.280 -3.741 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.309 6.498 -3.623 1.00 0.00 N ATOM 0 H GLN A 521 1.779 6.350 0.672 1.00 0.00 H new ATOM 0 HA GLN A 521 3.229 4.605 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.245 3.606 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.882 4.160 -0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.012 4.806 -1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.072 6.285 -1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.416 7.321 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.339 6.594 -4.638 1.00 0.00 H new ATOM 245 N ASP A 522 1.840 7.505 -1.800 1.00 0.00 N ATOM 246 CA ASP A 522 1.790 8.636 -2.726 1.00 0.00 C ATOM 247 C ASP A 522 2.973 9.571 -2.498 1.00 0.00 C ATOM 248 O ASP A 522 3.109 10.602 -3.156 1.00 0.00 O ATOM 249 CB ASP A 522 0.480 9.408 -2.560 1.00 0.00 C ATOM 250 CG ASP A 522 -0.259 9.582 -3.873 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.407 9.625 -4.929 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.505 9.674 -3.846 1.00 0.00 O ATOM 0 H ASP A 522 1.381 7.677 -0.906 1.00 0.00 H new ATOM 0 HA ASP A 522 1.843 8.243 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.161 8.882 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.691 10.388 -2.132 1.00 0.00 H new ATOM 257 N GLU A 523 3.821 9.189 -1.558 1.00 0.00 N ATOM 258 CA GLU A 523 5.007 9.960 -1.211 1.00 0.00 C ATOM 259 C GLU A 523 6.194 9.024 -1.046 1.00 0.00 C ATOM 260 O GLU A 523 7.346 9.413 -1.227 1.00 0.00 O ATOM 261 CB GLU A 523 4.771 10.751 0.078 1.00 0.00 C ATOM 262 CG GLU A 523 3.309 11.094 0.313 1.00 0.00 C ATOM 263 CD GLU A 523 3.129 12.372 1.107 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.999 13.262 1.006 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.116 12.483 1.830 1.00 0.00 O ATOM 0 H GLU A 523 3.708 8.335 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 523 5.218 10.667 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.142 10.173 0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.352 11.672 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.804 11.194 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.827 10.272 0.842 1.00 0.00 H new ATOM 272 N GLY A 524 5.889 7.776 -0.715 1.00 0.00 N ATOM 273 CA GLY A 524 6.913 6.775 -0.547 1.00 0.00 C ATOM 274 C GLY A 524 6.816 5.703 -1.614 1.00 0.00 C ATOM 275 O GLY A 524 7.811 5.067 -1.954 1.00 0.00 O ATOM 0 H GLY A 524 4.938 7.441 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.895 7.246 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.821 6.319 0.439 1.00 0.00 H new ATOM 279 N ALA A 525 5.612 5.514 -2.156 1.00 0.00 N ATOM 280 CA ALA A 525 5.394 4.523 -3.202 1.00 0.00 C ATOM 281 C ALA A 525 5.174 5.204 -4.546 1.00 0.00 C ATOM 282 O ALA A 525 4.543 4.650 -5.447 1.00 0.00 O ATOM 283 CB ALA A 525 4.212 3.629 -2.854 1.00 0.00 C ATOM 0 H ALA A 525 4.777 6.034 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 525 6.285 3.899 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 525 4.065 2.896 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.410 3.113 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.313 4.237 -2.751 1.00 0.00 H new ATOM 289 N ALA A 526 5.696 6.416 -4.661 1.00 0.00 N ATOM 290 CA ALA A 526 5.563 7.204 -5.885 1.00 0.00 C ATOM 291 C ALA A 526 6.827 8.005 -6.196 1.00 0.00 C ATOM 292 O ALA A 526 6.893 8.701 -7.209 1.00 0.00 O ATOM 293 CB ALA A 526 4.380 8.145 -5.760 1.00 0.00 C ATOM 0 H ALA A 526 6.219 6.881 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 526 5.404 6.508 -6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.283 8.731 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.470 7.566 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.536 8.815 -4.914 1.00 0.00 H new ATOM 299 N ILE A 527 7.816 7.921 -5.317 1.00 0.00 N ATOM 300 CA ILE A 527 9.060 8.654 -5.493 1.00 0.00 C ATOM 301 C ILE A 527 10.235 7.883 -4.898 1.00 0.00 C ATOM 302 O ILE A 527 11.318 7.836 -5.481 1.00 0.00 O ATOM 303 CB ILE A 527 8.983 10.046 -4.828 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.848 10.085 -3.790 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.804 11.132 -5.883 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.512 10.550 -4.334 1.00 0.00 C ATOM 0 H ILE A 527 7.780 7.350 -4.472 1.00 0.00 H new ATOM 0 HA ILE A 527 9.214 8.777 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 527 9.921 10.236 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.726 9.088 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 527 8.142 10.744 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.752 12.106 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.650 11.114 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.882 10.953 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.772 10.546 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.612 11.560 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.189 9.878 -5.130 1.00 0.00 H new ATOM 318 N GLY A 528 10.012 7.279 -3.733 1.00 0.00 N ATOM 319 CA GLY A 528 11.059 6.519 -3.081 1.00 0.00 C ATOM 320 C GLY A 528 11.364 5.221 -3.797 1.00 0.00 C ATOM 321 O GLY A 528 11.954 5.227 -4.878 1.00 0.00 O ATOM 0 H GLY A 528 9.124 7.304 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.965 7.124 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.762 6.303 -2.055 1.00 0.00 H new ATOM 325 N LEU A 529 10.968 4.102 -3.198 1.00 0.00 N ATOM 326 CA LEU A 529 11.219 2.798 -3.800 1.00 0.00 C ATOM 327 C LEU A 529 10.010 1.870 -3.685 1.00 0.00 C ATOM 328 O LEU A 529 9.884 1.107 -2.729 1.00 0.00 O ATOM 329 CB LEU A 529 12.446 2.148 -3.158 1.00 0.00 C ATOM 330 CG LEU A 529 13.574 1.796 -4.128 1.00 0.00 C ATOM 331 CD1 LEU A 529 14.302 3.055 -4.577 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.544 0.817 -3.485 1.00 0.00 C ATOM 0 H LEU A 529 10.477 4.072 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 529 11.407 2.959 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.839 2.822 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.131 1.239 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 529 13.138 1.319 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 529 15.102 2.786 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 529 13.600 3.722 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 529 14.726 3.559 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.340 0.578 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 529 14.975 1.266 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.013 -0.096 -3.214 1.00 0.00 H new ATOM 344 N ALA A 530 9.139 1.932 -4.686 1.00 0.00 N ATOM 345 CA ALA A 530 7.944 1.089 -4.743 1.00 0.00 C ATOM 346 C ALA A 530 7.963 0.224 -6.004 1.00 0.00 C ATOM 347 O ALA A 530 7.307 -0.815 -6.078 1.00 0.00 O ATOM 348 CB ALA A 530 6.690 1.945 -4.717 1.00 0.00 C ATOM 0 H ALA A 530 9.238 2.565 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 530 7.940 0.437 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.810 1.303 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.668 2.530 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.691 2.617 -5.575 1.00 0.00 H new ATOM 354 N TRP A 531 8.733 0.677 -6.984 1.00 0.00 N ATOM 355 CA TRP A 531 8.888 -0.008 -8.265 1.00 0.00 C ATOM 356 C TRP A 531 9.721 -1.277 -8.100 1.00 0.00 C ATOM 357 O TRP A 531 9.799 -2.103 -9.010 1.00 0.00 O ATOM 358 CB TRP A 531 9.570 0.937 -9.266 1.00 0.00 C ATOM 359 CG TRP A 531 10.187 2.127 -8.598 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.399 2.179 -7.975 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.596 3.421 -8.441 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.599 3.425 -7.438 1.00 0.00 N ATOM 363 CE2 TRP A 531 10.508 4.211 -7.717 1.00 0.00 C ATOM 364 CE3 TRP A 531 8.385 3.991 -8.846 1.00 0.00 C ATOM 365 CZ2 TRP A 531 10.247 5.540 -7.389 1.00 0.00 C ATOM 366 CZ3 TRP A 531 8.126 5.308 -8.519 1.00 0.00 C ATOM 367 CH2 TRP A 531 9.052 6.072 -7.798 1.00 0.00 C ATOM 0 H TRP A 531 9.274 1.539 -6.914 1.00 0.00 H new ATOM 0 HA TRP A 531 7.903 -0.290 -8.637 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.339 0.390 -9.811 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.838 1.274 -10.000 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.099 1.359 -7.913 1.00 0.00 H new ATOM 0 HE1 TRP A 531 12.424 3.720 -6.916 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.665 3.412 -9.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.961 6.129 -6.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 7.192 5.757 -8.825 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.820 7.100 -7.560 1.00 0.00 H new ATOM 378 N ILE A 532 10.346 -1.422 -6.934 1.00 0.00 N ATOM 379 CA ILE A 532 11.178 -2.586 -6.652 1.00 0.00 C ATOM 380 C ILE A 532 10.345 -3.731 -6.068 1.00 0.00 C ATOM 381 O ILE A 532 9.583 -3.532 -5.122 1.00 0.00 O ATOM 382 CB ILE A 532 12.339 -2.235 -5.690 1.00 0.00 C ATOM 383 CG1 ILE A 532 11.858 -2.169 -4.236 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.983 -0.915 -6.094 1.00 0.00 C ATOM 385 CD1 ILE A 532 10.810 -1.107 -3.990 1.00 0.00 C ATOM 0 H ILE A 532 10.291 -0.748 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 532 11.605 -2.911 -7.601 1.00 0.00 H new ATOM 0 HB ILE A 532 13.083 -3.028 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.452 -3.140 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.714 -1.980 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.797 -0.682 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.375 -0.997 -7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.238 -0.120 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 532 10.518 -1.120 -2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 532 11.218 -0.128 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 532 9.937 -1.306 -4.611 1.00 0.00 H new ATOM 397 N PRO A 533 10.464 -4.946 -6.636 1.00 0.00 N ATOM 398 CA PRO A 533 9.709 -6.113 -6.179 1.00 0.00 C ATOM 399 C PRO A 533 10.379 -6.870 -5.031 1.00 0.00 C ATOM 400 O PRO A 533 10.095 -8.049 -4.817 1.00 0.00 O ATOM 401 CB PRO A 533 9.671 -6.983 -7.430 1.00 0.00 C ATOM 402 CG PRO A 533 10.968 -6.706 -8.115 1.00 0.00 C ATOM 403 CD PRO A 533 11.333 -5.278 -7.783 1.00 0.00 C ATOM 0 HA PRO A 533 8.735 -5.832 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.573 -8.039 -7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 533 8.823 -6.728 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.742 -7.394 -7.773 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.874 -6.842 -9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.388 -5.185 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.152 -4.613 -8.627 1.00 0.00 H new ATOM 411 N TYR A 534 11.263 -6.203 -4.293 1.00 0.00 N ATOM 412 CA TYR A 534 11.951 -6.853 -3.176 1.00 0.00 C ATOM 413 C TYR A 534 11.678 -6.152 -1.847 1.00 0.00 C ATOM 414 O TYR A 534 12.031 -6.668 -0.786 1.00 0.00 O ATOM 415 CB TYR A 534 13.456 -6.915 -3.430 1.00 0.00 C ATOM 416 CG TYR A 534 14.084 -5.583 -3.779 1.00 0.00 C ATOM 417 CD1 TYR A 534 14.129 -4.549 -2.853 1.00 0.00 C ATOM 418 CD2 TYR A 534 14.641 -5.365 -5.033 1.00 0.00 C ATOM 419 CE1 TYR A 534 14.709 -3.334 -3.168 1.00 0.00 C ATOM 420 CE2 TYR A 534 15.223 -4.154 -5.354 1.00 0.00 C ATOM 421 CZ TYR A 534 15.254 -3.142 -4.419 1.00 0.00 C ATOM 422 OH TYR A 534 15.834 -1.934 -4.735 1.00 0.00 O ATOM 0 H TYR A 534 11.519 -5.227 -4.443 1.00 0.00 H new ATOM 0 HA TYR A 534 11.556 -7.866 -3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 534 13.946 -7.313 -2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 534 13.647 -7.617 -4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 534 13.704 -4.696 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 534 14.619 -6.155 -5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 534 14.735 -2.539 -2.437 1.00 0.00 H new ATOM 0 HE2 TYR A 534 15.652 -4.001 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 534 16.171 -1.964 -5.655 1.00 0.00 H new ATOM 432 N PHE A 535 11.045 -4.985 -1.900 1.00 0.00 N ATOM 433 CA PHE A 535 10.730 -4.238 -0.687 1.00 0.00 C ATOM 434 C PHE A 535 9.322 -4.564 -0.197 1.00 0.00 C ATOM 435 O PHE A 535 8.723 -3.791 0.547 1.00 0.00 O ATOM 436 CB PHE A 535 10.864 -2.734 -0.932 1.00 0.00 C ATOM 437 CG PHE A 535 12.118 -2.135 -0.356 1.00 0.00 C ATOM 438 CD1 PHE A 535 12.575 -2.516 0.896 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.840 -1.190 -1.068 1.00 0.00 C ATOM 440 CE1 PHE A 535 13.728 -1.966 1.425 1.00 0.00 C ATOM 441 CE2 PHE A 535 13.992 -0.637 -0.546 1.00 0.00 C ATOM 442 CZ PHE A 535 14.438 -1.026 0.703 1.00 0.00 C ATOM 0 H PHE A 535 10.741 -4.537 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 535 11.442 -4.534 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 535 10.843 -2.547 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 535 10.000 -2.227 -0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 535 12.024 -3.251 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 535 12.497 -0.882 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 535 14.073 -2.271 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 535 14.544 0.098 -1.113 1.00 0.00 H new ATOM 0 HZ PHE A 535 15.340 -0.596 1.114 1.00 0.00 H new ATOM 452 N GLY A 536 8.794 -5.709 -0.627 1.00 0.00 N ATOM 453 CA GLY A 536 7.455 -6.109 -0.225 1.00 0.00 C ATOM 454 C GLY A 536 7.264 -6.125 1.286 1.00 0.00 C ATOM 455 O GLY A 536 7.225 -5.068 1.914 1.00 0.00 O ATOM 0 H GLY A 536 9.269 -6.366 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 536 6.730 -5.427 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 536 7.244 -7.102 -0.622 1.00 0.00 H new ATOM 459 N PRO A 537 7.129 -7.313 1.905 1.00 0.00 N ATOM 460 CA PRO A 537 6.932 -7.432 3.353 1.00 0.00 C ATOM 461 C PRO A 537 8.202 -7.139 4.153 1.00 0.00 C ATOM 462 O PRO A 537 8.181 -7.144 5.384 1.00 0.00 O ATOM 463 CB PRO A 537 6.511 -8.899 3.553 1.00 0.00 C ATOM 464 CG PRO A 537 6.303 -9.459 2.183 1.00 0.00 C ATOM 465 CD PRO A 537 7.143 -8.630 1.256 1.00 0.00 C ATOM 0 HA PRO A 537 6.198 -6.709 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 537 7.279 -9.456 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 537 5.598 -8.966 4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 537 6.599 -10.507 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.251 -9.413 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 537 8.154 -9.025 1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 537 6.721 -8.592 0.252 1.00 0.00 H new ATOM 473 N ALA A 538 9.306 -6.890 3.454 1.00 0.00 N ATOM 474 CA ALA A 538 10.576 -6.606 4.112 1.00 0.00 C ATOM 475 C ALA A 538 10.665 -5.152 4.565 1.00 0.00 C ATOM 476 O ALA A 538 11.402 -4.828 5.496 1.00 0.00 O ATOM 477 CB ALA A 538 11.734 -6.941 3.183 1.00 0.00 C ATOM 0 H ALA A 538 9.346 -6.879 2.435 1.00 0.00 H new ATOM 0 HA ALA A 538 10.636 -7.232 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 538 12.677 -6.725 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 538 11.696 -7.998 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 538 11.659 -6.340 2.277 1.00 0.00 H new ATOM 483 N ALA A 539 9.914 -4.276 3.903 1.00 0.00 N ATOM 484 CA ALA A 539 9.919 -2.859 4.245 1.00 0.00 C ATOM 485 C ALA A 539 8.724 -2.496 5.117 1.00 0.00 C ATOM 486 O ALA A 539 8.753 -1.509 5.852 1.00 0.00 O ATOM 487 CB ALA A 539 9.914 -2.018 2.982 1.00 0.00 C ATOM 0 H ALA A 539 9.297 -4.522 3.129 1.00 0.00 H new ATOM 0 HA ALA A 539 10.827 -2.653 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 539 9.918 -0.961 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 539 10.800 -2.246 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.020 -2.242 2.399 1.00 0.00 H new ATOM 493 N GLU A 540 7.675 -3.302 5.007 1.00 0.00 N ATOM 494 CA GLU A 540 6.433 -3.109 5.752 1.00 0.00 C ATOM 495 C GLU A 540 6.641 -2.429 7.109 1.00 0.00 C ATOM 496 O GLU A 540 6.854 -3.096 8.121 1.00 0.00 O ATOM 497 CB GLU A 540 5.758 -4.462 5.947 1.00 0.00 C ATOM 498 CG GLU A 540 4.551 -4.670 5.049 1.00 0.00 C ATOM 499 CD GLU A 540 3.270 -4.137 5.660 1.00 0.00 C ATOM 500 OE1 GLU A 540 2.762 -4.762 6.614 1.00 0.00 O ATOM 501 OE2 GLU A 540 2.776 -3.093 5.185 1.00 0.00 O ATOM 0 H GLU A 540 7.661 -4.116 4.393 1.00 0.00 H new ATOM 0 HA GLU A 540 5.802 -2.440 5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.484 -5.252 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.448 -4.558 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 540 4.725 -4.177 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 540 4.435 -5.734 4.843 1.00 0.00 H new ATOM 508 N GLY A 541 6.548 -1.098 7.126 1.00 0.00 N ATOM 509 CA GLY A 541 6.696 -0.359 8.367 1.00 0.00 C ATOM 510 C GLY A 541 7.747 0.733 8.322 1.00 0.00 C ATOM 511 O GLY A 541 7.833 1.545 9.243 1.00 0.00 O ATOM 0 H GLY A 541 6.373 -0.522 6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 541 5.736 0.087 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 541 6.949 -1.058 9.164 1.00 0.00 H new ATOM 515 N ILE A 542 8.552 0.761 7.270 1.00 0.00 N ATOM 516 CA ILE A 542 9.593 1.776 7.152 1.00 0.00 C ATOM 517 C ILE A 542 9.179 2.888 6.202 1.00 0.00 C ATOM 518 O ILE A 542 9.543 4.049 6.396 1.00 0.00 O ATOM 519 CB ILE A 542 10.924 1.179 6.663 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.178 -0.183 7.304 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.071 2.133 6.964 1.00 0.00 C ATOM 522 CD1 ILE A 542 11.804 -1.173 6.353 1.00 0.00 C ATOM 0 H ILE A 542 8.507 0.102 6.493 1.00 0.00 H new ATOM 0 HA ILE A 542 9.733 2.185 8.153 1.00 0.00 H new ATOM 0 HB ILE A 542 10.861 1.038 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 542 11.829 -0.056 8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 542 10.235 -0.587 7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.007 1.699 6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 542 11.898 3.082 6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.130 2.303 8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 542 11.960 -2.122 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.143 -1.326 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 542 12.762 -0.787 6.005 1.00 0.00 H new ATOM 534 N TYR A 543 8.419 2.533 5.172 1.00 0.00 N ATOM 535 CA TYR A 543 7.964 3.520 4.192 1.00 0.00 C ATOM 536 C TYR A 543 7.156 2.872 3.062 1.00 0.00 C ATOM 537 O TYR A 543 5.958 2.630 3.210 1.00 0.00 O ATOM 538 CB TYR A 543 9.155 4.310 3.618 1.00 0.00 C ATOM 539 CG TYR A 543 10.468 3.549 3.596 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.507 2.181 3.349 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.671 4.207 3.817 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.706 1.493 3.325 1.00 0.00 C ATOM 543 CE2 TYR A 543 12.874 3.527 3.793 1.00 0.00 C ATOM 544 CZ TYR A 543 12.885 2.170 3.547 1.00 0.00 C ATOM 545 OH TYR A 543 14.081 1.489 3.523 1.00 0.00 O ATOM 0 H TYR A 543 8.106 1.579 4.992 1.00 0.00 H new ATOM 0 HA TYR A 543 7.304 4.213 4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 543 8.913 4.619 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.287 5.219 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.585 1.647 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.666 5.269 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.718 0.430 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.800 4.055 3.966 1.00 0.00 H new ATOM 0 HH TYR A 543 14.816 2.113 3.697 1.00 0.00 H new ATOM 555 N ILE A 544 7.807 2.609 1.927 1.00 0.00 N ATOM 556 CA ILE A 544 7.139 2.009 0.778 1.00 0.00 C ATOM 557 C ILE A 544 6.462 0.695 1.141 1.00 0.00 C ATOM 558 O ILE A 544 5.238 0.600 1.144 1.00 0.00 O ATOM 559 CB ILE A 544 8.128 1.757 -0.375 1.00 0.00 C ATOM 560 CG1 ILE A 544 8.994 2.994 -0.615 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.379 1.367 -1.641 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.452 2.788 -0.266 1.00 0.00 C ATOM 0 H ILE A 544 8.798 2.804 1.782 1.00 0.00 H new ATOM 0 HA ILE A 544 6.380 2.722 0.456 1.00 0.00 H new ATOM 0 HB ILE A 544 8.783 0.931 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 544 8.917 3.284 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.601 3.823 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.092 1.192 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 544 6.807 0.457 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.701 2.172 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.006 3.706 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.540 2.528 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 544 10.861 1.981 -0.874 1.00 0.00 H new ATOM 574 N GLU A 545 7.269 -0.318 1.442 1.00 0.00 N ATOM 575 CA GLU A 545 6.757 -1.640 1.801 1.00 0.00 C ATOM 576 C GLU A 545 6.357 -2.429 0.557 1.00 0.00 C ATOM 577 O GLU A 545 5.642 -3.427 0.649 1.00 0.00 O ATOM 578 CB GLU A 545 5.562 -1.528 2.755 1.00 0.00 C ATOM 579 CG GLU A 545 5.752 -0.492 3.853 1.00 0.00 C ATOM 580 CD GLU A 545 4.496 -0.281 4.677 1.00 0.00 C ATOM 581 OE1 GLU A 545 3.641 0.529 4.258 1.00 0.00 O ATOM 582 OE2 GLU A 545 4.367 -0.922 5.741 1.00 0.00 O ATOM 0 H GLU A 545 8.287 -0.249 1.445 1.00 0.00 H new ATOM 0 HA GLU A 545 7.560 -2.174 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 545 4.671 -1.276 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 545 5.381 -2.501 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.564 -0.807 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.053 0.456 3.406 1.00 0.00 H new ATOM 589 N GLY A 546 6.827 -1.982 -0.606 1.00 0.00 N ATOM 590 CA GLY A 546 6.513 -2.665 -1.847 1.00 0.00 C ATOM 591 C GLY A 546 5.086 -2.431 -2.308 1.00 0.00 C ATOM 592 O GLY A 546 4.867 -1.893 -3.391 1.00 0.00 O ATOM 0 H GLY A 546 7.420 -1.158 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 546 7.200 -2.329 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.676 -3.735 -1.718 1.00 0.00 H new ATOM 596 N LEU A 547 4.124 -2.847 -1.482 1.00 0.00 N ATOM 597 CA LEU A 547 2.692 -2.709 -1.779 1.00 0.00 C ATOM 598 C LEU A 547 2.362 -3.034 -3.244 1.00 0.00 C ATOM 599 O LEU A 547 1.863 -4.119 -3.538 1.00 0.00 O ATOM 600 CB LEU A 547 2.161 -1.316 -1.383 1.00 0.00 C ATOM 601 CG LEU A 547 2.974 -0.102 -1.855 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.207 0.680 -2.911 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.317 0.799 -0.680 1.00 0.00 C ATOM 0 H LEU A 547 4.314 -3.291 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 547 2.177 -3.449 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.147 -1.217 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.092 -1.276 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 547 3.901 -0.465 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.800 1.536 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.007 0.036 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.264 1.029 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.893 1.654 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.398 1.150 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.906 0.240 0.047 1.00 0.00 H new ATOM 615 N MET A 548 2.645 -2.102 -4.154 1.00 0.00 N ATOM 616 CA MET A 548 2.385 -2.294 -5.587 1.00 0.00 C ATOM 617 C MET A 548 0.917 -2.065 -5.944 1.00 0.00 C ATOM 618 O MET A 548 0.593 -1.744 -7.087 1.00 0.00 O ATOM 619 CB MET A 548 2.798 -3.699 -6.031 1.00 0.00 C ATOM 620 CG MET A 548 4.141 -4.147 -5.478 1.00 0.00 C ATOM 621 SD MET A 548 4.143 -5.879 -4.977 1.00 0.00 S ATOM 622 CE MET A 548 4.044 -5.711 -3.197 1.00 0.00 C ATOM 0 H MET A 548 3.058 -1.198 -3.925 1.00 0.00 H new ATOM 0 HA MET A 548 2.984 -1.551 -6.113 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.032 -4.409 -5.718 1.00 0.00 H new ATOM 0 HB3 MET A 548 2.835 -3.729 -7.120 1.00 0.00 H new ATOM 0 HG2 MET A 548 4.911 -3.990 -6.233 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.403 -3.525 -4.622 1.00 0.00 H new ATOM 0 HE1 MET A 548 4.637 -6.494 -2.724 1.00 0.00 H new ATOM 0 HE2 MET A 548 4.430 -4.735 -2.902 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.005 -5.801 -2.880 1.00 0.00 H new ATOM 632 N HIS A 549 0.032 -2.240 -4.970 1.00 0.00 N ATOM 633 CA HIS A 549 -1.400 -2.061 -5.195 1.00 0.00 C ATOM 634 C HIS A 549 -1.815 -0.614 -4.952 1.00 0.00 C ATOM 635 O HIS A 549 -2.817 -0.150 -5.496 1.00 0.00 O ATOM 636 CB HIS A 549 -2.217 -2.996 -4.288 1.00 0.00 C ATOM 637 CG HIS A 549 -1.510 -3.393 -3.025 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.873 -2.487 -2.204 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.317 -4.610 -2.460 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.314 -3.127 -1.194 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.571 -4.416 -1.324 1.00 0.00 N ATOM 0 H HIS A 549 0.279 -2.506 -4.017 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.604 -2.313 -6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -3.155 -2.505 -4.028 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.473 -3.896 -4.847 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.682 -5.555 -2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.257 -2.674 -0.397 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -0.265 -5.149 -0.684 1.00 0.00 H new ATOM 650 N ASN A 550 -1.046 0.089 -4.124 1.00 0.00 N ATOM 651 CA ASN A 550 -1.337 1.486 -3.796 1.00 0.00 C ATOM 652 C ASN A 550 -2.607 1.610 -2.949 1.00 0.00 C ATOM 653 O ASN A 550 -2.901 2.682 -2.420 1.00 0.00 O ATOM 654 CB ASN A 550 -1.480 2.317 -5.075 1.00 0.00 C ATOM 655 CG ASN A 550 -0.236 2.262 -5.941 1.00 0.00 C ATOM 656 OD1 ASN A 550 0.671 3.081 -5.798 1.00 0.00 O ATOM 657 ND2 ASN A 550 -0.189 1.293 -6.848 1.00 0.00 N ATOM 0 H ASN A 550 -0.215 -0.285 -3.666 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.500 1.868 -3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.334 1.955 -5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.690 3.353 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.622 1.207 -7.460 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.964 0.635 -6.932 1.00 0.00 H new ATOM 664 N GLN A 551 -3.353 0.512 -2.810 1.00 0.00 N ATOM 665 CA GLN A 551 -4.574 0.506 -2.020 1.00 0.00 C ATOM 666 C GLN A 551 -5.689 1.282 -2.705 1.00 0.00 C ATOM 667 O GLN A 551 -5.554 2.467 -3.011 1.00 0.00 O ATOM 668 CB GLN A 551 -4.311 1.063 -0.628 1.00 0.00 C ATOM 669 CG GLN A 551 -3.074 0.472 0.023 1.00 0.00 C ATOM 670 CD GLN A 551 -2.624 1.253 1.242 1.00 0.00 C ATOM 671 OE1 GLN A 551 -1.724 2.090 1.160 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.247 0.982 2.383 1.00 0.00 N ATOM 0 H GLN A 551 -3.127 -0.385 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 551 -4.903 -0.529 -1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.200 2.145 -0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.177 0.868 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.278 -0.559 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.263 0.444 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.987 0.281 2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -2.985 1.475 3.237 1.00 0.00 H new ATOM 681 N ASP A 552 -6.788 0.583 -2.938 1.00 0.00 N ATOM 682 CA ASP A 552 -7.960 1.159 -3.587 1.00 0.00 C ATOM 683 C ASP A 552 -9.221 0.391 -3.194 1.00 0.00 C ATOM 684 O ASP A 552 -9.906 -0.176 -4.045 1.00 0.00 O ATOM 685 CB ASP A 552 -7.786 1.137 -5.107 1.00 0.00 C ATOM 686 CG ASP A 552 -8.397 2.353 -5.777 1.00 0.00 C ATOM 687 OD1 ASP A 552 -7.918 3.477 -5.518 1.00 0.00 O ATOM 688 OD2 ASP A 552 -9.354 2.181 -6.559 1.00 0.00 O ATOM 0 H ASP A 552 -6.895 -0.399 -2.684 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.064 2.193 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -6.724 1.088 -5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.246 0.234 -5.510 1.00 0.00 H new ATOM 693 N GLY A 553 -9.520 0.373 -1.896 1.00 0.00 N ATOM 694 CA GLY A 553 -10.693 -0.332 -1.415 1.00 0.00 C ATOM 695 C GLY A 553 -10.540 -1.837 -1.518 1.00 0.00 C ATOM 696 O GLY A 553 -11.372 -2.513 -2.124 1.00 0.00 O ATOM 0 H GLY A 553 -8.970 0.834 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -10.879 -0.058 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.565 -0.017 -1.989 1.00 0.00 H new ATOM 700 N LEU A 554 -9.471 -2.360 -0.928 1.00 0.00 N ATOM 701 CA LEU A 554 -9.203 -3.793 -0.958 1.00 0.00 C ATOM 702 C LEU A 554 -9.416 -4.422 0.415 1.00 0.00 C ATOM 703 O LEU A 554 -9.790 -5.591 0.521 1.00 0.00 O ATOM 704 CB LEU A 554 -7.772 -4.049 -1.431 1.00 0.00 C ATOM 705 CG LEU A 554 -7.380 -3.334 -2.725 1.00 0.00 C ATOM 706 CD1 LEU A 554 -5.997 -3.774 -3.180 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.411 -3.599 -3.814 1.00 0.00 C ATOM 0 H LEU A 554 -8.775 -1.812 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.902 -4.253 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.085 -3.743 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -7.639 -5.122 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.352 -2.262 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.735 -3.255 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.266 -3.533 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.997 -4.850 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.116 -3.083 -4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.471 -4.670 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.385 -3.234 -3.489 1.00 0.00 H new ATOM 719 N ILE A 555 -9.177 -3.642 1.462 1.00 0.00 N ATOM 720 CA ILE A 555 -9.345 -4.128 2.828 1.00 0.00 C ATOM 721 C ILE A 555 -10.597 -3.535 3.471 1.00 0.00 C ATOM 722 O ILE A 555 -11.110 -4.069 4.455 1.00 0.00 O ATOM 723 CB ILE A 555 -8.115 -3.823 3.724 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.189 -2.789 3.070 1.00 0.00 C ATOM 725 CG2 ILE A 555 -7.351 -5.103 4.028 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.414 -3.323 1.883 1.00 0.00 C ATOM 0 H ILE A 555 -8.867 -2.673 1.393 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.449 -5.211 2.754 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.480 -3.399 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.784 -1.935 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.484 -2.423 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -6.491 -4.873 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.005 -5.802 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.008 -5.552 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.783 -2.533 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -5.790 -4.158 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.111 -3.662 1.116 1.00 0.00 H new ATOM 738 N CYS A 556 -11.094 -2.433 2.910 1.00 0.00 N ATOM 739 CA CYS A 556 -12.294 -1.782 3.434 1.00 0.00 C ATOM 740 C CYS A 556 -13.553 -2.389 2.828 1.00 0.00 C ATOM 741 O CYS A 556 -14.636 -1.808 2.899 1.00 0.00 O ATOM 742 CB CYS A 556 -12.246 -0.275 3.156 1.00 0.00 C ATOM 743 SG CYS A 556 -13.045 0.787 4.420 1.00 0.00 S ATOM 0 H CYS A 556 -10.686 -1.974 2.096 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.323 -1.942 4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.203 0.026 3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.722 -0.085 2.194 1.00 0.00 H new ATOM 748 N GLY A 557 -13.398 -3.564 2.236 1.00 0.00 N ATOM 749 CA GLY A 557 -14.501 -4.250 1.627 1.00 0.00 C ATOM 750 C GLY A 557 -14.023 -5.494 0.928 1.00 0.00 C ATOM 751 O GLY A 557 -13.307 -6.305 1.513 1.00 0.00 O ATOM 0 H GLY A 557 -12.507 -4.056 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.238 -4.512 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -14.998 -3.592 0.914 1.00 0.00 H new ATOM 755 N LEU A 558 -14.396 -5.635 -0.326 1.00 0.00 N ATOM 756 CA LEU A 558 -13.989 -6.787 -1.113 1.00 0.00 C ATOM 757 C LEU A 558 -13.940 -6.434 -2.598 1.00 0.00 C ATOM 758 O LEU A 558 -13.071 -6.905 -3.331 1.00 0.00 O ATOM 759 CB LEU A 558 -14.944 -7.959 -0.873 1.00 0.00 C ATOM 760 CG LEU A 558 -15.735 -7.909 0.441 1.00 0.00 C ATOM 761 CD1 LEU A 558 -16.973 -8.784 0.345 1.00 0.00 C ATOM 762 CD2 LEU A 558 -14.863 -8.337 1.618 1.00 0.00 C ATOM 0 H LEU A 558 -14.982 -4.966 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 558 -12.988 -7.083 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -15.651 -8.004 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.368 -8.884 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.050 -6.880 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -17.524 -8.739 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -17.608 -8.428 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -16.676 -9.814 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -15.446 -8.293 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.512 -9.357 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.007 -7.667 1.699 1.00 0.00 H new ATOM 774 N ARG A 559 -14.879 -5.598 -3.032 1.00 0.00 N ATOM 775 CA ARG A 559 -14.944 -5.172 -4.424 1.00 0.00 C ATOM 776 C ARG A 559 -15.263 -3.683 -4.517 1.00 0.00 C ATOM 777 O ARG A 559 -16.051 -3.257 -5.363 1.00 0.00 O ATOM 778 CB ARG A 559 -16.001 -5.980 -5.177 1.00 0.00 C ATOM 779 CG ARG A 559 -17.254 -6.253 -4.362 1.00 0.00 C ATOM 780 CD ARG A 559 -18.488 -6.326 -5.244 1.00 0.00 C ATOM 781 NE ARG A 559 -19.621 -5.610 -4.663 1.00 0.00 N ATOM 782 CZ ARG A 559 -20.401 -6.108 -3.707 1.00 0.00 C ATOM 783 NH1 ARG A 559 -20.168 -7.319 -3.215 1.00 0.00 N ATOM 784 NH2 ARG A 559 -21.416 -5.393 -3.239 1.00 0.00 N ATOM 0 H ARG A 559 -15.607 -5.202 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.970 -5.348 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.278 -5.443 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.566 -6.930 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.138 -7.191 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.384 -5.467 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -18.258 -5.907 -6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.761 -7.370 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.826 -4.673 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -19.388 -7.872 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -20.769 -7.696 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.598 -4.461 -3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -22.014 -5.775 -2.506 1.00 0.00 H new ATOM 798 N GLN A 560 -14.648 -2.897 -3.635 1.00 0.00 N ATOM 799 CA GLN A 560 -14.862 -1.449 -3.605 1.00 0.00 C ATOM 800 C GLN A 560 -14.826 -0.855 -5.011 1.00 0.00 C ATOM 801 O GLN A 560 -13.728 -0.467 -5.460 1.00 0.00 O ATOM 802 CB GLN A 560 -13.800 -0.766 -2.731 1.00 0.00 C ATOM 803 CG GLN A 560 -13.891 -1.101 -1.245 1.00 0.00 C ATOM 804 CD GLN A 560 -15.319 -1.283 -0.760 1.00 0.00 C ATOM 805 OE1 GLN A 560 -15.921 -0.365 -0.206 1.00 0.00 O ATOM 806 NE2 GLN A 560 -15.863 -2.476 -0.970 1.00 0.00 N ATOM 807 OXT GLN A 560 -15.897 -0.785 -5.649 1.00 0.00 O ATOM 0 H GLN A 560 -13.996 -3.239 -2.929 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.849 -1.271 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.812 -1.049 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.887 0.314 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.328 -2.014 -1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.417 -0.305 -0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.325 -3.208 -1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -16.819 -2.661 -0.667 1.00 0.00 H new