USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=10 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= -4.69! C(o=-3.7!,f=-8!) USER MOD Set 1.2: A 550 ASN :FLIP amide:sc= 1.01 F(o=-7.4,f=-3.7) USER MOD Single : A 508 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.3) USER MOD Single : A 510 LYS NZ :NH3+ 150:sc= -0.269 (180deg=-1.57!) USER MOD Single : A 512 ASN :FLIP amide:sc= -1.37 F(o=-4.2,f=-1.4) USER MOD Single : A 514 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.4!) USER MOD Single : A 516 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.013) 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 -93:sc= -0.921! USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl -146:sc= -5.09! (180deg=-7.02!) USER MOD Single : A 549 HIS : no HD1:sc= -4.45 K(o=-4.4,f=-5.2!) USER MOD Single : A 551 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 560 GLN :FLIP amide:sc= -2.24 F(o=-5!,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -10.562 -11.507 -0.871 1.00 0.00 N ATOM 2 CA ALA A 507 -11.269 -10.732 0.182 1.00 0.00 C ATOM 3 C ALA A 507 -10.359 -10.484 1.381 1.00 0.00 C ATOM 4 O ALA A 507 -9.357 -11.172 1.565 1.00 0.00 O ATOM 5 CB ALA A 507 -12.527 -11.465 0.619 1.00 0.00 C ATOM 0 HA ALA A 507 -11.550 -9.766 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.036 -10.887 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.190 -11.591 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -12.258 -12.444 1.017 1.00 0.00 H new ATOM 13 N GLN A 508 -10.717 -9.494 2.194 1.00 0.00 N ATOM 14 CA GLN A 508 -9.933 -9.157 3.376 1.00 0.00 C ATOM 15 C GLN A 508 -10.599 -8.036 4.172 1.00 0.00 C ATOM 16 O GLN A 508 -10.835 -6.949 3.648 1.00 0.00 O ATOM 17 CB GLN A 508 -8.519 -8.739 2.974 1.00 0.00 C ATOM 18 CG GLN A 508 -8.476 -7.808 1.772 1.00 0.00 C ATOM 19 CD GLN A 508 -7.117 -7.787 1.099 1.00 0.00 C ATOM 20 OE1 GLN A 508 -6.086 -7.668 1.760 1.00 0.00 O ATOM 21 NE2 GLN A 508 -7.111 -7.905 -0.224 1.00 0.00 N ATOM 0 H GLN A 508 -11.544 -8.913 2.055 1.00 0.00 H new ATOM 0 HA GLN A 508 -9.878 -10.044 4.008 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.040 -8.247 3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -7.935 -9.632 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.230 -8.119 1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.736 -6.798 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.991 -8.001 -0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -6.227 -7.899 -0.733 1.00 0.00 H new ATOM 30 N PRO A 509 -10.926 -8.292 5.452 1.00 0.00 N ATOM 31 CA PRO A 509 -11.579 -7.322 6.322 1.00 0.00 C ATOM 32 C PRO A 509 -10.591 -6.573 7.211 1.00 0.00 C ATOM 33 O PRO A 509 -9.963 -7.157 8.093 1.00 0.00 O ATOM 34 CB PRO A 509 -12.443 -8.237 7.166 1.00 0.00 C ATOM 35 CG PRO A 509 -11.531 -9.382 7.429 1.00 0.00 C ATOM 36 CD PRO A 509 -10.711 -9.562 6.167 1.00 0.00 C ATOM 0 HA PRO A 509 -12.107 -6.540 5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.766 -7.754 8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.344 -8.548 6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -10.889 -9.180 8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.096 -10.285 7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -9.657 -9.727 6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -11.051 -10.417 5.583 1.00 0.00 H new ATOM 44 N LYS A 510 -10.473 -5.281 6.977 1.00 0.00 N ATOM 45 CA LYS A 510 -9.573 -4.431 7.757 1.00 0.00 C ATOM 46 C LYS A 510 -9.999 -2.974 7.666 1.00 0.00 C ATOM 47 O LYS A 510 -10.107 -2.273 8.672 1.00 0.00 O ATOM 48 CB LYS A 510 -8.131 -4.583 7.266 1.00 0.00 C ATOM 49 CG LYS A 510 -7.386 -5.747 7.899 1.00 0.00 C ATOM 50 CD LYS A 510 -7.318 -5.615 9.413 1.00 0.00 C ATOM 51 CE LYS A 510 -7.898 -6.836 10.110 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.450 -8.105 9.472 1.00 0.00 N ATOM 0 H LYS A 510 -10.990 -4.787 6.249 1.00 0.00 H new ATOM 0 HA LYS A 510 -9.626 -4.748 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.138 -4.714 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -7.588 -3.661 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.882 -6.682 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -6.376 -5.797 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.281 -5.479 9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -7.863 -4.724 9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -7.599 -6.832 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.987 -6.783 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.409 -8.858 10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.122 -8.374 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.506 -7.970 9.057 1.00 0.00 H new ATOM 66 N CYS A 511 -10.244 -2.540 6.442 1.00 0.00 N ATOM 67 CA CYS A 511 -10.671 -1.178 6.157 1.00 0.00 C ATOM 68 C CYS A 511 -9.527 -0.188 6.303 1.00 0.00 C ATOM 69 O CYS A 511 -9.689 0.893 6.868 1.00 0.00 O ATOM 70 CB CYS A 511 -11.850 -0.775 7.040 1.00 0.00 C ATOM 71 SG CYS A 511 -13.412 -0.567 6.124 1.00 0.00 S ATOM 0 H CYS A 511 -10.152 -3.125 5.612 1.00 0.00 H new ATOM 0 HA CYS A 511 -10.998 -1.154 5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -11.990 -1.531 7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.610 0.159 7.548 1.00 0.00 H new ATOM 76 N ASN A 512 -8.375 -0.555 5.763 1.00 0.00 N ATOM 77 CA ASN A 512 -7.210 0.314 5.808 1.00 0.00 C ATOM 78 C ASN A 512 -6.518 0.399 4.441 1.00 0.00 C ATOM 79 O ASN A 512 -5.291 0.472 4.367 1.00 0.00 O ATOM 80 CB ASN A 512 -6.221 -0.169 6.873 1.00 0.00 C ATOM 81 CG ASN A 512 -4.991 0.719 7.001 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.081 1.961 6.524 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -3.962 0.291 7.525 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.222 -1.446 5.290 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.555 1.314 6.072 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.729 -0.215 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -5.904 -1.184 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -3.930 -0.665 7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -3.142 0.893 7.605 1.00 0.00 H new ATOM 90 N PRO A 513 -7.289 0.390 3.332 1.00 0.00 N ATOM 91 CA PRO A 513 -6.728 0.465 1.983 1.00 0.00 C ATOM 92 C PRO A 513 -6.476 1.910 1.524 1.00 0.00 C ATOM 93 O PRO A 513 -5.498 2.533 1.936 1.00 0.00 O ATOM 94 CB PRO A 513 -7.822 -0.195 1.152 1.00 0.00 C ATOM 95 CG PRO A 513 -9.078 0.251 1.816 1.00 0.00 C ATOM 96 CD PRO A 513 -8.764 0.298 3.291 1.00 0.00 C ATOM 0 HA PRO A 513 -5.751 -0.010 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -7.783 0.124 0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -7.729 -1.281 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.388 1.230 1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -9.896 -0.440 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.232 1.156 3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.124 -0.593 3.806 1.00 0.00 H new ATOM 104 N ASN A 514 -7.351 2.433 0.659 1.00 0.00 N ATOM 105 CA ASN A 514 -7.209 3.785 0.141 1.00 0.00 C ATOM 106 C ASN A 514 -7.549 4.841 1.195 1.00 0.00 C ATOM 107 O ASN A 514 -7.468 6.040 0.929 1.00 0.00 O ATOM 108 CB ASN A 514 -8.095 3.955 -1.098 1.00 0.00 C ATOM 109 CG ASN A 514 -9.511 4.397 -0.765 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.771 5.584 -0.566 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.431 3.442 -0.704 1.00 0.00 N ATOM 0 H ASN A 514 -8.167 1.933 0.305 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.165 3.934 -0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.640 4.688 -1.765 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.134 3.011 -1.641 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.399 3.679 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.170 2.471 -0.876 1.00 0.00 H new ATOM 118 N LEU A 515 -7.930 4.401 2.386 1.00 0.00 N ATOM 119 CA LEU A 515 -8.270 5.323 3.457 1.00 0.00 C ATOM 120 C LEU A 515 -7.081 5.509 4.391 1.00 0.00 C ATOM 121 O LEU A 515 -7.219 5.481 5.614 1.00 0.00 O ATOM 122 CB LEU A 515 -9.493 4.813 4.222 1.00 0.00 C ATOM 123 CG LEU A 515 -10.752 4.619 3.367 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.878 5.733 2.335 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.730 3.258 2.683 1.00 0.00 C ATOM 0 H LEU A 515 -8.011 3.415 2.633 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.517 6.293 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.240 3.863 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.721 5.515 5.025 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.621 4.660 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.777 5.577 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -10.942 6.695 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.005 5.725 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.631 3.139 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.852 3.188 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.691 2.472 3.437 1.00 0.00 H new ATOM 137 N HIS A 516 -5.908 5.696 3.789 1.00 0.00 N ATOM 138 CA HIS A 516 -4.667 5.887 4.533 1.00 0.00 C ATOM 139 C HIS A 516 -3.467 5.840 3.589 1.00 0.00 C ATOM 140 O HIS A 516 -2.460 6.507 3.817 1.00 0.00 O ATOM 141 CB HIS A 516 -4.516 4.817 5.620 1.00 0.00 C ATOM 142 CG HIS A 516 -4.381 5.384 7.000 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.965 4.811 8.110 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.720 6.478 7.448 1.00 0.00 C ATOM 145 CE1 HIS A 516 -4.672 5.529 9.179 1.00 0.00 C ATOM 146 NE2 HIS A 516 -3.918 6.546 8.805 1.00 0.00 N ATOM 0 H HIS A 516 -5.792 5.719 2.776 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.706 6.866 5.010 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.382 4.155 5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.640 4.207 5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.144 7.168 6.849 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -4.995 5.320 10.188 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -3.543 7.265 9.424 1.00 0.00 H new ATOM 155 N TYR A 517 -3.589 5.040 2.530 1.00 0.00 N ATOM 156 CA TYR A 517 -2.526 4.882 1.534 1.00 0.00 C ATOM 157 C TYR A 517 -1.825 6.211 1.233 1.00 0.00 C ATOM 158 O TYR A 517 -0.599 6.271 1.139 1.00 0.00 O ATOM 159 CB TYR A 517 -3.105 4.273 0.251 1.00 0.00 C ATOM 160 CG TYR A 517 -3.854 5.256 -0.629 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.964 5.939 -0.148 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.456 5.494 -1.939 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.655 6.832 -0.946 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.142 6.385 -2.742 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.240 7.051 -2.242 1.00 0.00 C ATOM 166 OH TYR A 517 -5.925 7.939 -3.039 1.00 0.00 O ATOM 0 H TYR A 517 -4.423 4.485 2.338 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.774 4.209 1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.292 3.834 -0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.779 3.460 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.293 5.770 0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.597 4.974 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.515 7.355 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.819 6.559 -3.758 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.503 7.978 -3.923 1.00 0.00 H new ATOM 176 N TRP A 518 -2.613 7.270 1.097 1.00 0.00 N ATOM 177 CA TRP A 518 -2.086 8.603 0.822 1.00 0.00 C ATOM 178 C TRP A 518 -1.239 9.093 1.990 1.00 0.00 C ATOM 179 O TRP A 518 -1.716 9.841 2.844 1.00 0.00 O ATOM 180 CB TRP A 518 -3.242 9.576 0.586 1.00 0.00 C ATOM 181 CG TRP A 518 -4.364 9.390 1.563 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.275 8.858 2.819 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.742 9.719 1.364 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.512 8.838 3.412 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.430 9.364 2.540 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.458 10.281 0.308 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.802 9.555 2.686 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.820 10.470 0.451 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.479 10.108 1.634 1.00 0.00 C ATOM 0 H TRP A 518 -3.629 7.231 1.173 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.461 8.553 -0.070 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.871 10.598 0.656 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.622 9.443 -0.427 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.363 8.505 3.278 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.715 8.489 4.349 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.957 10.564 -0.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.312 9.277 3.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.385 10.903 -0.361 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.544 10.269 1.717 1.00 0.00 H new ATOM 200 N THR A 519 0.011 8.660 2.033 1.00 0.00 N ATOM 201 CA THR A 519 0.906 9.048 3.114 1.00 0.00 C ATOM 202 C THR A 519 2.333 8.614 2.817 1.00 0.00 C ATOM 203 O THR A 519 3.255 9.430 2.794 1.00 0.00 O ATOM 204 CB THR A 519 0.423 8.415 4.413 1.00 0.00 C ATOM 205 OG1 THR A 519 1.356 8.620 5.458 1.00 0.00 O ATOM 206 CG2 THR A 519 0.176 6.927 4.295 1.00 0.00 C ATOM 0 H THR A 519 0.428 8.043 1.336 1.00 0.00 H new ATOM 0 HA THR A 519 0.899 10.134 3.210 1.00 0.00 H new ATOM 0 HB THR A 519 -0.523 8.908 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.022 8.206 6.281 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.166 6.538 5.254 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.585 6.744 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.101 6.426 4.009 1.00 0.00 H new ATOM 214 N THR A 520 2.498 7.324 2.575 1.00 0.00 N ATOM 215 CA THR A 520 3.798 6.760 2.255 1.00 0.00 C ATOM 216 C THR A 520 3.736 6.050 0.909 1.00 0.00 C ATOM 217 O THR A 520 4.746 5.562 0.406 1.00 0.00 O ATOM 218 CB THR A 520 4.255 5.793 3.351 1.00 0.00 C ATOM 219 OG1 THR A 520 5.595 5.389 3.131 1.00 0.00 O ATOM 220 CG2 THR A 520 3.410 4.540 3.450 1.00 0.00 C ATOM 0 H THR A 520 1.739 6.642 2.595 1.00 0.00 H new ATOM 0 HA THR A 520 4.525 7.570 2.195 1.00 0.00 H new ATOM 0 HB THR A 520 4.152 6.349 4.283 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.605 4.558 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.794 3.904 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.378 4.814 3.669 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.449 3.999 2.504 1.00 0.00 H new ATOM 228 N GLN A 521 2.537 6.004 0.322 1.00 0.00 N ATOM 229 CA GLN A 521 2.352 5.367 -0.965 1.00 0.00 C ATOM 230 C GLN A 521 2.341 6.416 -2.073 1.00 0.00 C ATOM 231 O GLN A 521 2.920 6.228 -3.142 1.00 0.00 O ATOM 232 CB GLN A 521 1.065 4.527 -0.975 1.00 0.00 C ATOM 233 CG GLN A 521 -0.154 5.251 -1.526 1.00 0.00 C ATOM 234 CD GLN A 521 -0.163 5.305 -3.039 1.00 0.00 C ATOM 235 OE1 GLN A 521 0.093 4.306 -3.711 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.453 6.478 -3.580 1.00 0.00 N ATOM 0 H GLN A 521 1.688 6.402 0.724 1.00 0.00 H new ATOM 0 HA GLN A 521 3.187 4.690 -1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.237 3.628 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.850 4.202 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.058 4.750 -1.178 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.179 6.266 -1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.659 7.278 -2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.471 6.581 -4.595 1.00 0.00 H new ATOM 245 N ASP A 522 1.694 7.530 -1.791 1.00 0.00 N ATOM 246 CA ASP A 522 1.613 8.639 -2.738 1.00 0.00 C ATOM 247 C ASP A 522 2.803 9.577 -2.569 1.00 0.00 C ATOM 248 O ASP A 522 2.905 10.607 -3.236 1.00 0.00 O ATOM 249 CB ASP A 522 0.310 9.410 -2.542 1.00 0.00 C ATOM 250 CG ASP A 522 -0.432 9.635 -3.845 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.201 10.097 -4.818 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.647 9.347 -3.894 1.00 0.00 O ATOM 0 H ASP A 522 1.211 7.697 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 522 1.633 8.228 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.332 8.863 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.527 10.373 -2.080 1.00 0.00 H new ATOM 257 N GLU A 523 3.695 9.200 -1.670 1.00 0.00 N ATOM 258 CA GLU A 523 4.895 9.972 -1.377 1.00 0.00 C ATOM 259 C GLU A 523 6.091 9.038 -1.278 1.00 0.00 C ATOM 260 O GLU A 523 7.233 9.434 -1.510 1.00 0.00 O ATOM 261 CB GLU A 523 4.716 10.750 -0.073 1.00 0.00 C ATOM 262 CG GLU A 523 3.266 11.089 0.225 1.00 0.00 C ATOM 263 CD GLU A 523 3.116 12.365 1.030 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.265 12.306 2.269 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.848 13.423 0.423 1.00 0.00 O ATOM 0 H GLU A 523 3.609 8.346 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 523 5.068 10.686 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.123 10.164 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.295 11.672 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.721 11.190 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.809 10.264 0.772 1.00 0.00 H new ATOM 272 N GLY A 524 5.806 7.786 -0.946 1.00 0.00 N ATOM 273 CA GLY A 524 6.836 6.784 -0.837 1.00 0.00 C ATOM 274 C GLY A 524 6.661 5.695 -1.875 1.00 0.00 C ATOM 275 O GLY A 524 7.631 5.074 -2.304 1.00 0.00 O ATOM 0 H GLY A 524 4.864 7.448 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.814 7.251 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.814 6.345 0.160 1.00 0.00 H new ATOM 279 N ALA A 525 5.414 5.474 -2.296 1.00 0.00 N ATOM 280 CA ALA A 525 5.120 4.462 -3.304 1.00 0.00 C ATOM 281 C ALA A 525 4.847 5.108 -4.656 1.00 0.00 C ATOM 282 O ALA A 525 4.208 4.521 -5.527 1.00 0.00 O ATOM 283 CB ALA A 525 3.940 3.602 -2.872 1.00 0.00 C ATOM 0 H ALA A 525 4.597 5.981 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 525 5.994 3.819 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.736 2.853 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.177 3.105 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.061 4.232 -2.738 1.00 0.00 H new ATOM 289 N ALA A 526 5.339 6.328 -4.808 1.00 0.00 N ATOM 290 CA ALA A 526 5.161 7.089 -6.042 1.00 0.00 C ATOM 291 C ALA A 526 6.430 7.844 -6.435 1.00 0.00 C ATOM 292 O ALA A 526 6.477 8.492 -7.480 1.00 0.00 O ATOM 293 CB ALA A 526 4.012 8.068 -5.883 1.00 0.00 C ATOM 0 H ALA A 526 5.869 6.818 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 526 4.936 6.379 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.884 8.632 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.095 7.521 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.230 8.755 -5.065 1.00 0.00 H new ATOM 299 N ILE A 527 7.446 7.771 -5.587 1.00 0.00 N ATOM 300 CA ILE A 527 8.704 8.458 -5.832 1.00 0.00 C ATOM 301 C ILE A 527 9.873 7.655 -5.266 1.00 0.00 C ATOM 302 O ILE A 527 10.945 7.590 -5.867 1.00 0.00 O ATOM 303 CB ILE A 527 8.705 9.867 -5.198 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.611 9.978 -4.118 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.530 10.935 -6.272 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.281 10.510 -4.621 1.00 0.00 C ATOM 0 H ILE A 527 7.422 7.239 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 527 8.816 8.556 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 527 9.668 10.030 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.451 8.994 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.970 10.629 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.533 11.921 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.349 10.868 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.583 10.780 -6.789 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.571 10.555 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.421 11.509 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.894 9.849 -5.396 1.00 0.00 H new ATOM 318 N GLY A 528 9.655 7.048 -4.102 1.00 0.00 N ATOM 319 CA GLY A 528 10.693 6.260 -3.466 1.00 0.00 C ATOM 320 C GLY A 528 10.972 4.959 -4.189 1.00 0.00 C ATOM 321 O GLY A 528 11.366 4.964 -5.356 1.00 0.00 O ATOM 0 H GLY A 528 8.775 7.089 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.610 6.847 -3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.400 6.043 -2.439 1.00 0.00 H new ATOM 325 N LEU A 529 10.791 3.842 -3.491 1.00 0.00 N ATOM 326 CA LEU A 529 11.053 2.532 -4.075 1.00 0.00 C ATOM 327 C LEU A 529 9.908 1.541 -3.835 1.00 0.00 C ATOM 328 O LEU A 529 9.930 0.766 -2.879 1.00 0.00 O ATOM 329 CB LEU A 529 12.352 1.973 -3.500 1.00 0.00 C ATOM 330 CG LEU A 529 13.607 2.782 -3.827 1.00 0.00 C ATOM 331 CD1 LEU A 529 14.832 2.149 -3.187 1.00 0.00 C ATOM 332 CD2 LEU A 529 13.787 2.897 -5.333 1.00 0.00 C ATOM 0 H LEU A 529 10.465 3.818 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 529 11.140 2.664 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.253 1.907 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.487 0.957 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 529 13.488 3.785 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 529 15.716 2.739 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 529 14.703 2.119 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 529 14.957 1.135 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 529 14.685 3.476 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 529 13.885 1.901 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 529 12.920 3.397 -5.766 1.00 0.00 H new ATOM 344 N ALA A 530 8.926 1.558 -4.733 1.00 0.00 N ATOM 345 CA ALA A 530 7.775 0.650 -4.663 1.00 0.00 C ATOM 346 C ALA A 530 7.743 -0.248 -5.895 1.00 0.00 C ATOM 347 O ALA A 530 7.312 -1.400 -5.845 1.00 0.00 O ATOM 348 CB ALA A 530 6.482 1.443 -4.573 1.00 0.00 C ATOM 0 H ALA A 530 8.902 2.197 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 530 7.873 0.032 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.637 0.756 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.499 2.066 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.382 2.077 -5.454 1.00 0.00 H new ATOM 354 N TRP A 531 8.216 0.316 -6.994 1.00 0.00 N ATOM 355 CA TRP A 531 8.284 -0.360 -8.288 1.00 0.00 C ATOM 356 C TRP A 531 9.368 -1.430 -8.276 1.00 0.00 C ATOM 357 O TRP A 531 9.401 -2.311 -9.135 1.00 0.00 O ATOM 358 CB TRP A 531 8.621 0.684 -9.361 1.00 0.00 C ATOM 359 CG TRP A 531 9.351 1.856 -8.779 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.593 1.844 -8.219 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.857 3.192 -8.643 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.906 3.090 -7.740 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.858 3.941 -7.997 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.667 3.827 -9.011 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.703 5.297 -7.710 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.514 5.170 -8.724 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.525 5.893 -8.081 1.00 0.00 C ATOM 0 H TRP A 531 8.570 1.272 -7.017 1.00 0.00 H new ATOM 0 HA TRP A 531 7.326 -0.837 -8.498 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.231 0.224 -10.138 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.703 1.027 -9.838 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.237 0.979 -8.161 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.775 3.344 -7.270 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.882 3.278 -9.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.482 5.857 -7.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.598 5.671 -9.001 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.374 6.942 -7.873 1.00 0.00 H new ATOM 378 N ILE A 532 10.267 -1.324 -7.305 1.00 0.00 N ATOM 379 CA ILE A 532 11.378 -2.247 -7.169 1.00 0.00 C ATOM 380 C ILE A 532 11.109 -3.301 -6.092 1.00 0.00 C ATOM 381 O ILE A 532 11.377 -3.074 -4.911 1.00 0.00 O ATOM 382 CB ILE A 532 12.645 -1.453 -6.816 1.00 0.00 C ATOM 383 CG1 ILE A 532 13.856 -2.362 -6.651 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.420 -0.637 -5.554 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.155 -1.598 -6.722 1.00 0.00 C ATOM 0 H ILE A 532 10.243 -0.595 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 532 11.510 -2.771 -8.116 1.00 0.00 H new ATOM 0 HB ILE A 532 12.853 -0.778 -7.646 1.00 0.00 H new ATOM 0 HG12 ILE A 532 13.792 -2.879 -5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.843 -3.127 -7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.326 -0.079 -5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.596 0.059 -5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.177 -1.305 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 532 15.990 -2.288 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 532 15.233 -1.102 -7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 532 15.182 -0.851 -5.929 1.00 0.00 H new ATOM 397 N PRO A 533 10.581 -4.475 -6.486 1.00 0.00 N ATOM 398 CA PRO A 533 10.285 -5.562 -5.546 1.00 0.00 C ATOM 399 C PRO A 533 11.553 -6.197 -4.983 1.00 0.00 C ATOM 400 O PRO A 533 11.895 -7.331 -5.320 1.00 0.00 O ATOM 401 CB PRO A 533 9.515 -6.572 -6.400 1.00 0.00 C ATOM 402 CG PRO A 533 9.973 -6.314 -7.794 1.00 0.00 C ATOM 403 CD PRO A 533 10.235 -4.836 -7.874 1.00 0.00 C ATOM 0 HA PRO A 533 9.730 -5.211 -4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.732 -7.596 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 533 8.438 -6.432 -6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 533 10.874 -6.883 -8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.215 -6.616 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.048 -4.609 -8.563 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.359 -4.291 -8.225 1.00 0.00 H new ATOM 411 N TYR A 534 12.250 -5.454 -4.132 1.00 0.00 N ATOM 412 CA TYR A 534 13.484 -5.934 -3.527 1.00 0.00 C ATOM 413 C TYR A 534 13.258 -6.366 -2.080 1.00 0.00 C ATOM 414 O TYR A 534 13.902 -7.293 -1.591 1.00 0.00 O ATOM 415 CB TYR A 534 14.549 -4.838 -3.584 1.00 0.00 C ATOM 416 CG TYR A 534 15.839 -5.204 -2.887 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.397 -6.465 -3.041 1.00 0.00 C ATOM 418 CD2 TYR A 534 16.495 -4.288 -2.078 1.00 0.00 C ATOM 419 CE1 TYR A 534 17.577 -6.804 -2.406 1.00 0.00 C ATOM 420 CE2 TYR A 534 17.676 -4.618 -1.439 1.00 0.00 C ATOM 421 CZ TYR A 534 18.213 -5.877 -1.606 1.00 0.00 C ATOM 422 OH TYR A 534 19.387 -6.211 -0.972 1.00 0.00 O ATOM 0 H TYR A 534 11.979 -4.513 -3.845 1.00 0.00 H new ATOM 0 HA TYR A 534 13.825 -6.803 -4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 534 14.764 -4.607 -4.627 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.148 -3.931 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 534 15.902 -7.193 -3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.077 -3.301 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.999 -7.790 -2.535 1.00 0.00 H new ATOM 0 HE2 TYR A 534 18.175 -3.894 -0.813 1.00 0.00 H new ATOM 0 HH TYR A 534 19.705 -5.446 -0.449 1.00 0.00 H new ATOM 432 N PHE A 535 12.343 -5.684 -1.400 1.00 0.00 N ATOM 433 CA PHE A 535 12.038 -5.994 -0.005 1.00 0.00 C ATOM 434 C PHE A 535 10.572 -6.381 0.166 1.00 0.00 C ATOM 435 O PHE A 535 10.247 -7.280 0.940 1.00 0.00 O ATOM 436 CB PHE A 535 12.373 -4.803 0.908 1.00 0.00 C ATOM 437 CG PHE A 535 12.752 -3.546 0.172 1.00 0.00 C ATOM 438 CD1 PHE A 535 11.819 -2.867 -0.595 1.00 0.00 C ATOM 439 CD2 PHE A 535 14.041 -3.045 0.251 1.00 0.00 C ATOM 440 CE1 PHE A 535 12.165 -1.713 -1.271 1.00 0.00 C ATOM 441 CE2 PHE A 535 14.394 -1.891 -0.423 1.00 0.00 C ATOM 442 CZ PHE A 535 13.454 -1.224 -1.184 1.00 0.00 C ATOM 0 H PHE A 535 11.800 -4.914 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 535 12.657 -6.844 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 535 11.512 -4.593 1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 535 13.194 -5.085 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 535 10.809 -3.244 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 535 14.779 -3.562 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 535 11.429 -1.194 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 535 15.403 -1.512 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 535 13.726 -0.321 -1.710 1.00 0.00 H new ATOM 452 N GLY A 536 9.691 -5.695 -0.554 1.00 0.00 N ATOM 453 CA GLY A 536 8.270 -5.983 -0.459 1.00 0.00 C ATOM 454 C GLY A 536 7.754 -5.883 0.967 1.00 0.00 C ATOM 455 O GLY A 536 7.664 -4.785 1.517 1.00 0.00 O ATOM 0 H GLY A 536 9.934 -4.945 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 536 7.718 -5.288 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.078 -6.985 -0.843 1.00 0.00 H new ATOM 459 N PRO A 537 7.409 -7.018 1.601 1.00 0.00 N ATOM 460 CA PRO A 537 6.905 -7.030 2.979 1.00 0.00 C ATOM 461 C PRO A 537 8.013 -6.817 4.011 1.00 0.00 C ATOM 462 O PRO A 537 7.749 -6.749 5.212 1.00 0.00 O ATOM 463 CB PRO A 537 6.309 -8.430 3.117 1.00 0.00 C ATOM 464 CG PRO A 537 7.113 -9.270 2.186 1.00 0.00 C ATOM 465 CD PRO A 537 7.482 -8.379 1.030 1.00 0.00 C ATOM 0 HA PRO A 537 6.194 -6.224 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 537 6.381 -8.793 4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 537 5.253 -8.440 2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 537 8.005 -9.655 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 537 6.540 -10.132 1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 537 8.480 -8.603 0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 537 6.793 -8.500 0.195 1.00 0.00 H new ATOM 473 N ALA A 538 9.251 -6.713 3.536 1.00 0.00 N ATOM 474 CA ALA A 538 10.398 -6.508 4.413 1.00 0.00 C ATOM 475 C ALA A 538 10.585 -5.030 4.742 1.00 0.00 C ATOM 476 O ALA A 538 11.245 -4.681 5.721 1.00 0.00 O ATOM 477 CB ALA A 538 11.657 -7.072 3.774 1.00 0.00 C ATOM 0 H ALA A 538 9.485 -6.768 2.545 1.00 0.00 H new ATOM 0 HA ALA A 538 10.208 -7.038 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 538 12.506 -6.912 4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 538 11.529 -8.140 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 538 11.840 -6.568 2.825 1.00 0.00 H new ATOM 483 N ALA A 539 9.990 -4.165 3.927 1.00 0.00 N ATOM 484 CA ALA A 539 10.081 -2.727 4.139 1.00 0.00 C ATOM 485 C ALA A 539 8.900 -2.239 4.969 1.00 0.00 C ATOM 486 O ALA A 539 8.921 -1.144 5.532 1.00 0.00 O ATOM 487 CB ALA A 539 10.116 -2.005 2.804 1.00 0.00 C ATOM 0 H ALA A 539 9.439 -4.437 3.113 1.00 0.00 H new ATOM 0 HA ALA A 539 11.001 -2.511 4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.184 -0.930 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 539 10.983 -2.338 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.206 -2.228 2.246 1.00 0.00 H new ATOM 493 N GLU A 540 7.871 -3.074 5.024 1.00 0.00 N ATOM 494 CA GLU A 540 6.649 -2.788 5.760 1.00 0.00 C ATOM 495 C GLU A 540 6.911 -2.092 7.099 1.00 0.00 C ATOM 496 O GLU A 540 7.142 -2.749 8.114 1.00 0.00 O ATOM 497 CB GLU A 540 5.904 -4.100 5.984 1.00 0.00 C ATOM 498 CG GLU A 540 4.663 -4.249 5.121 1.00 0.00 C ATOM 499 CD GLU A 540 3.667 -5.236 5.696 1.00 0.00 C ATOM 500 OE1 GLU A 540 4.103 -6.209 6.346 1.00 0.00 O ATOM 501 OE2 GLU A 540 2.451 -5.036 5.498 1.00 0.00 O ATOM 0 H GLU A 540 7.862 -3.979 4.553 1.00 0.00 H new ATOM 0 HA GLU A 540 6.049 -2.096 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.579 -4.931 5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.617 -4.171 7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 540 4.183 -3.277 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 540 4.956 -4.574 4.123 1.00 0.00 H new ATOM 508 N GLY A 541 6.841 -0.761 7.097 1.00 0.00 N ATOM 509 CA GLY A 541 7.042 -0.007 8.321 1.00 0.00 C ATOM 510 C GLY A 541 8.108 1.067 8.222 1.00 0.00 C ATOM 511 O GLY A 541 8.249 1.885 9.132 1.00 0.00 O ATOM 0 H GLY A 541 6.649 -0.195 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.099 0.458 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 541 7.311 -0.698 9.120 1.00 0.00 H new ATOM 515 N ILE A 542 8.863 1.074 7.134 1.00 0.00 N ATOM 516 CA ILE A 542 9.916 2.068 6.960 1.00 0.00 C ATOM 517 C ILE A 542 9.474 3.179 6.020 1.00 0.00 C ATOM 518 O ILE A 542 9.862 4.335 6.187 1.00 0.00 O ATOM 519 CB ILE A 542 11.211 1.445 6.410 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.472 0.080 7.047 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.388 2.378 6.650 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.057 -0.918 6.078 1.00 0.00 C ATOM 0 H ILE A 542 8.770 0.411 6.365 1.00 0.00 H new ATOM 0 HA ILE A 542 10.114 2.480 7.950 1.00 0.00 H new ATOM 0 HB ILE A 542 11.092 1.300 5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 542 12.152 0.202 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 542 10.537 -0.314 7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.298 1.925 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.208 3.328 6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.503 2.551 7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.220 -1.867 6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.367 -1.066 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.007 -0.542 5.698 1.00 0.00 H new ATOM 534 N TYR A 543 8.664 2.826 5.028 1.00 0.00 N ATOM 535 CA TYR A 543 8.179 3.811 4.061 1.00 0.00 C ATOM 536 C TYR A 543 7.287 3.167 2.995 1.00 0.00 C ATOM 537 O TYR A 543 6.094 2.960 3.220 1.00 0.00 O ATOM 538 CB TYR A 543 9.355 4.554 3.399 1.00 0.00 C ATOM 539 CG TYR A 543 10.651 3.767 3.346 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.657 2.398 3.098 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.872 4.401 3.537 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.842 1.687 3.045 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.061 3.696 3.484 1.00 0.00 C ATOM 544 CZ TYR A 543 13.040 2.341 3.238 1.00 0.00 C ATOM 545 OH TYR A 543 14.220 1.635 3.185 1.00 0.00 O ATOM 0 H TYR A 543 8.330 1.875 4.871 1.00 0.00 H new ATOM 0 HA TYR A 543 7.574 4.533 4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.069 4.827 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.532 5.483 3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.721 1.882 2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.893 5.463 3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.829 0.624 2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.001 4.206 3.635 1.00 0.00 H new ATOM 0 HH TYR A 543 14.972 2.243 3.341 1.00 0.00 H new ATOM 555 N ILE A 544 7.862 2.865 1.833 1.00 0.00 N ATOM 556 CA ILE A 544 7.115 2.263 0.736 1.00 0.00 C ATOM 557 C ILE A 544 6.492 0.937 1.142 1.00 0.00 C ATOM 558 O ILE A 544 5.272 0.810 1.207 1.00 0.00 O ATOM 559 CB ILE A 544 8.013 2.035 -0.492 1.00 0.00 C ATOM 560 CG1 ILE A 544 8.918 3.245 -0.722 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.165 1.756 -1.721 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.348 3.024 -0.276 1.00 0.00 C ATOM 0 H ILE A 544 8.848 3.029 1.628 1.00 0.00 H new ATOM 0 HA ILE A 544 6.321 2.965 0.480 1.00 0.00 H new ATOM 0 HB ILE A 544 8.645 1.166 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 544 8.911 3.497 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.508 4.102 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 544 7.814 1.597 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 544 6.561 0.864 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.511 2.606 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 544 10.933 3.923 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.366 2.802 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 544 10.776 2.187 -0.828 1.00 0.00 H new ATOM 574 N GLU A 545 7.341 -0.050 1.413 1.00 0.00 N ATOM 575 CA GLU A 545 6.885 -1.382 1.813 1.00 0.00 C ATOM 576 C GLU A 545 6.488 -2.215 0.597 1.00 0.00 C ATOM 577 O GLU A 545 5.773 -3.209 0.724 1.00 0.00 O ATOM 578 CB GLU A 545 5.709 -1.292 2.790 1.00 0.00 C ATOM 579 CG GLU A 545 5.869 -0.207 3.846 1.00 0.00 C ATOM 580 CD GLU A 545 4.672 -0.113 4.772 1.00 0.00 C ATOM 581 OE1 GLU A 545 3.900 -1.091 4.847 1.00 0.00 O ATOM 582 OE2 GLU A 545 4.507 0.941 5.424 1.00 0.00 O ATOM 0 H GLU A 545 8.355 0.047 1.363 1.00 0.00 H new ATOM 0 HA GLU A 545 7.718 -1.874 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 545 4.794 -1.106 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 545 5.587 -2.254 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.764 -0.407 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.020 0.754 3.354 1.00 0.00 H new ATOM 589 N GLY A 546 6.959 -1.811 -0.579 1.00 0.00 N ATOM 590 CA GLY A 546 6.646 -2.539 -1.795 1.00 0.00 C ATOM 591 C GLY A 546 5.202 -2.368 -2.231 1.00 0.00 C ATOM 592 O GLY A 546 4.941 -1.852 -3.314 1.00 0.00 O ATOM 0 H GLY A 546 7.552 -0.992 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 546 7.304 -2.200 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.851 -3.598 -1.641 1.00 0.00 H new ATOM 596 N LEU A 547 4.272 -2.813 -1.381 1.00 0.00 N ATOM 597 CA LEU A 547 2.831 -2.735 -1.653 1.00 0.00 C ATOM 598 C LEU A 547 2.490 -3.085 -3.108 1.00 0.00 C ATOM 599 O LEU A 547 2.014 -4.185 -3.385 1.00 0.00 O ATOM 600 CB LEU A 547 2.252 -1.361 -1.262 1.00 0.00 C ATOM 601 CG LEU A 547 3.037 -0.121 -1.714 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.302 0.601 -2.834 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.263 0.819 -0.542 1.00 0.00 C ATOM 0 H LEU A 547 4.496 -3.239 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 547 2.357 -3.489 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.243 -1.290 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.161 -1.328 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 547 4.006 -0.448 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.875 1.477 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.184 -0.071 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.320 0.915 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.821 1.693 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.301 1.136 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.830 0.304 0.234 1.00 0.00 H new ATOM 615 N MET A 548 2.736 -2.154 -4.031 1.00 0.00 N ATOM 616 CA MET A 548 2.463 -2.366 -5.459 1.00 0.00 C ATOM 617 C MET A 548 0.988 -2.154 -5.800 1.00 0.00 C ATOM 618 O MET A 548 0.648 -1.827 -6.937 1.00 0.00 O ATOM 619 CB MET A 548 2.885 -3.770 -5.895 1.00 0.00 C ATOM 620 CG MET A 548 4.241 -4.198 -5.359 1.00 0.00 C ATOM 621 SD MET A 548 4.266 -5.917 -4.816 1.00 0.00 S ATOM 622 CE MET A 548 4.244 -5.706 -3.038 1.00 0.00 C ATOM 0 H MET A 548 3.127 -1.237 -3.815 1.00 0.00 H new ATOM 0 HA MET A 548 3.051 -1.625 -6.001 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.132 -4.485 -5.564 1.00 0.00 H new ATOM 0 HB3 MET A 548 2.906 -3.811 -6.984 1.00 0.00 H new ATOM 0 HG2 MET A 548 4.994 -4.055 -6.134 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.516 -3.554 -4.524 1.00 0.00 H new ATOM 0 HE1 MET A 548 4.828 -6.499 -2.570 1.00 0.00 H new ATOM 0 HE2 MET A 548 4.675 -4.738 -2.781 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.216 -5.753 -2.679 1.00 0.00 H new ATOM 632 N HIS A 549 0.117 -2.348 -4.818 1.00 0.00 N ATOM 633 CA HIS A 549 -1.320 -2.184 -5.023 1.00 0.00 C ATOM 634 C HIS A 549 -1.743 -0.739 -4.794 1.00 0.00 C ATOM 635 O HIS A 549 -2.732 -0.276 -5.360 1.00 0.00 O ATOM 636 CB HIS A 549 -2.114 -3.114 -4.090 1.00 0.00 C ATOM 637 CG HIS A 549 -1.368 -3.518 -2.852 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.742 -2.610 -2.023 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.124 -4.739 -2.320 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.140 -3.254 -1.041 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.359 -4.546 -1.196 1.00 0.00 N ATOM 0 H HIS A 549 0.379 -2.619 -3.870 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.539 -2.451 -6.057 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -3.039 -2.616 -3.798 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.395 -4.011 -4.641 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.467 -5.687 -2.707 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.434 -2.801 -0.246 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -0.015 -5.283 -0.580 1.00 0.00 H new ATOM 650 N ASN A 550 -0.990 -0.035 -3.951 1.00 0.00 N ATOM 651 CA ASN A 550 -1.284 1.363 -3.630 1.00 0.00 C ATOM 652 C ASN A 550 -2.545 1.489 -2.772 1.00 0.00 C ATOM 653 O ASN A 550 -2.807 2.549 -2.203 1.00 0.00 O ATOM 654 CB ASN A 550 -1.439 2.189 -4.910 1.00 0.00 C ATOM 655 CG ASN A 550 -0.225 2.092 -5.811 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.255 1.150 -6.746 1.00 0.00 O flip ATOM 657 ND2 ASN A 550 0.731 2.855 -5.670 1.00 0.00 N flip ATOM 0 H ASN A 550 -0.169 -0.410 -3.476 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.442 1.750 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.320 1.849 -5.454 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.610 3.233 -4.647 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.713 3.565 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 550 1.541 2.777 -6.285 1.00 0.00 H new ATOM 664 N GLN A 551 -3.324 0.409 -2.674 1.00 0.00 N ATOM 665 CA GLN A 551 -4.541 0.411 -1.881 1.00 0.00 C ATOM 666 C GLN A 551 -5.614 1.279 -2.519 1.00 0.00 C ATOM 667 O GLN A 551 -5.426 2.475 -2.739 1.00 0.00 O ATOM 668 CB GLN A 551 -4.249 0.873 -0.460 1.00 0.00 C ATOM 669 CG GLN A 551 -3.071 0.151 0.168 1.00 0.00 C ATOM 670 CD GLN A 551 -2.900 0.479 1.639 1.00 0.00 C ATOM 671 OE1 GLN A 551 -2.637 1.624 2.004 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.047 -0.529 2.491 1.00 0.00 N ATOM 0 H GLN A 551 -3.127 -0.478 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 551 -4.920 -0.610 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.050 1.945 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.134 0.717 0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.206 -0.924 0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.160 0.417 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.265 -1.463 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -2.942 -0.369 3.493 1.00 0.00 H new ATOM 681 N ASP A 552 -6.739 0.647 -2.819 1.00 0.00 N ATOM 682 CA ASP A 552 -7.870 1.323 -3.442 1.00 0.00 C ATOM 683 C ASP A 552 -9.177 0.594 -3.129 1.00 0.00 C ATOM 684 O ASP A 552 -9.874 0.135 -4.035 1.00 0.00 O ATOM 685 CB ASP A 552 -7.665 1.403 -4.957 1.00 0.00 C ATOM 686 CG ASP A 552 -8.185 2.701 -5.543 1.00 0.00 C ATOM 687 OD1 ASP A 552 -9.336 3.076 -5.230 1.00 0.00 O ATOM 688 OD2 ASP A 552 -7.443 3.344 -6.315 1.00 0.00 O ATOM 0 H ASP A 552 -6.895 -0.345 -2.639 1.00 0.00 H new ATOM 0 HA ASP A 552 -7.933 2.333 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -6.603 1.305 -5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.171 0.564 -5.434 1.00 0.00 H new ATOM 693 N GLY A 553 -9.504 0.484 -1.843 1.00 0.00 N ATOM 694 CA GLY A 553 -10.724 -0.195 -1.447 1.00 0.00 C ATOM 695 C GLY A 553 -10.617 -1.701 -1.590 1.00 0.00 C ATOM 696 O GLY A 553 -11.442 -2.329 -2.251 1.00 0.00 O ATOM 0 H GLY A 553 -8.947 0.852 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -10.956 0.054 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.553 0.168 -2.055 1.00 0.00 H new ATOM 700 N LEU A 554 -9.593 -2.280 -0.969 1.00 0.00 N ATOM 701 CA LEU A 554 -9.378 -3.721 -1.031 1.00 0.00 C ATOM 702 C LEU A 554 -9.700 -4.380 0.305 1.00 0.00 C ATOM 703 O LEU A 554 -10.235 -5.488 0.349 1.00 0.00 O ATOM 704 CB LEU A 554 -7.931 -4.024 -1.424 1.00 0.00 C ATOM 705 CG LEU A 554 -7.390 -3.191 -2.590 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.032 -3.714 -3.034 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.372 -3.195 -3.753 1.00 0.00 C ATOM 0 H LEU A 554 -8.900 -1.773 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.049 -4.129 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.293 -3.863 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -7.854 -5.080 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.268 -2.163 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.663 -3.110 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.330 -3.656 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.129 -4.751 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.969 -2.598 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.528 -4.219 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.322 -2.771 -3.428 1.00 0.00 H new ATOM 719 N ILE A 555 -9.376 -3.689 1.393 1.00 0.00 N ATOM 720 CA ILE A 555 -9.638 -4.208 2.732 1.00 0.00 C ATOM 721 C ILE A 555 -10.868 -3.535 3.344 1.00 0.00 C ATOM 722 O ILE A 555 -11.508 -4.089 4.238 1.00 0.00 O ATOM 723 CB ILE A 555 -8.422 -4.043 3.679 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.432 -2.999 3.146 1.00 0.00 C ATOM 725 CG2 ILE A 555 -7.726 -5.383 3.878 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.602 -3.481 1.972 1.00 0.00 C ATOM 0 H ILE A 555 -8.933 -2.771 1.375 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.827 -5.276 2.621 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.791 -3.688 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.985 -2.109 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.763 -2.702 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -6.873 -5.255 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.426 -6.095 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.380 -5.760 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.927 -2.687 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.020 -4.353 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.261 -3.750 1.147 1.00 0.00 H new ATOM 738 N CYS A 556 -11.204 -2.351 2.838 1.00 0.00 N ATOM 739 CA CYS A 556 -12.374 -1.611 3.310 1.00 0.00 C ATOM 740 C CYS A 556 -13.549 -1.840 2.371 1.00 0.00 C ATOM 741 O CYS A 556 -14.497 -1.054 2.340 1.00 0.00 O ATOM 742 CB CYS A 556 -12.067 -0.111 3.386 1.00 0.00 C ATOM 743 SG CYS A 556 -12.972 0.806 4.688 1.00 0.00 S ATOM 0 H CYS A 556 -10.681 -1.881 2.099 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.629 -1.971 4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -10.997 0.017 3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.296 0.340 2.420 1.00 0.00 H new ATOM 748 N GLY A 557 -13.469 -2.913 1.597 1.00 0.00 N ATOM 749 CA GLY A 557 -14.512 -3.228 0.656 1.00 0.00 C ATOM 750 C GLY A 557 -14.062 -4.266 -0.347 1.00 0.00 C ATOM 751 O GLY A 557 -12.968 -4.174 -0.905 1.00 0.00 O ATOM 0 H GLY A 557 -12.691 -3.573 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.388 -3.595 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -14.815 -2.322 0.132 1.00 0.00 H new ATOM 755 N LEU A 558 -14.905 -5.258 -0.563 1.00 0.00 N ATOM 756 CA LEU A 558 -14.606 -6.341 -1.492 1.00 0.00 C ATOM 757 C LEU A 558 -15.213 -6.071 -2.863 1.00 0.00 C ATOM 758 O LEU A 558 -15.413 -6.990 -3.657 1.00 0.00 O ATOM 759 CB LEU A 558 -15.161 -7.649 -0.942 1.00 0.00 C ATOM 760 CG LEU A 558 -14.787 -7.952 0.509 1.00 0.00 C ATOM 761 CD1 LEU A 558 -15.630 -7.117 1.464 1.00 0.00 C ATOM 762 CD2 LEU A 558 -14.958 -9.435 0.802 1.00 0.00 C ATOM 0 H LEU A 558 -15.812 -5.340 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.524 -6.410 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.248 -7.628 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.810 -8.468 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 558 -13.740 -7.689 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -15.350 -7.346 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -15.460 -6.058 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -16.685 -7.348 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -14.688 -9.635 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.997 -9.721 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.312 -10.013 0.141 1.00 0.00 H new ATOM 774 N ARG A 559 -15.521 -4.810 -3.126 1.00 0.00 N ATOM 775 CA ARG A 559 -16.126 -4.421 -4.390 1.00 0.00 C ATOM 776 C ARG A 559 -16.019 -2.913 -4.618 1.00 0.00 C ATOM 777 O ARG A 559 -16.813 -2.333 -5.359 1.00 0.00 O ATOM 778 CB ARG A 559 -17.596 -4.846 -4.409 1.00 0.00 C ATOM 779 CG ARG A 559 -18.223 -4.931 -3.022 1.00 0.00 C ATOM 780 CD ARG A 559 -19.722 -5.151 -3.106 1.00 0.00 C ATOM 781 NE ARG A 559 -20.441 -4.444 -2.050 1.00 0.00 N ATOM 782 CZ ARG A 559 -21.723 -4.654 -1.756 1.00 0.00 C ATOM 783 NH1 ARG A 559 -22.428 -5.552 -2.434 1.00 0.00 N ATOM 784 NH2 ARG A 559 -22.302 -3.966 -0.781 1.00 0.00 N ATOM 0 H ARG A 559 -15.361 -4.038 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.587 -4.922 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -18.163 -4.137 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.679 -5.817 -4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.765 -5.747 -2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.019 -4.013 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -20.083 -4.815 -4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -19.936 -6.218 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.931 -3.748 -1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -21.988 -6.085 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -23.409 -5.709 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.765 -3.276 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -23.284 -4.127 -0.556 1.00 0.00 H new ATOM 798 N GLN A 560 -15.036 -2.284 -3.980 1.00 0.00 N ATOM 799 CA GLN A 560 -14.834 -0.845 -4.121 1.00 0.00 C ATOM 800 C GLN A 560 -14.287 -0.505 -5.504 1.00 0.00 C ATOM 801 O GLN A 560 -13.865 0.654 -5.705 1.00 0.00 O ATOM 802 CB GLN A 560 -13.878 -0.327 -3.039 1.00 0.00 C ATOM 803 CG GLN A 560 -14.330 -0.616 -1.611 1.00 0.00 C ATOM 804 CD GLN A 560 -15.839 -0.754 -1.476 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.317 -1.993 -1.459 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.561 0.239 -1.389 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -14.286 -1.400 -6.375 1.00 0.00 O ATOM 0 H GLN A 560 -14.369 -2.746 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.801 -0.357 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.896 -0.774 -3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.761 0.750 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.855 -1.534 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.985 0.186 -0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.149 1.172 -1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.571 0.129 -1.299 1.00 0.00 H new TER 816 GLN A 560