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= -6.75 K(o=-9.2,f=-15!) USER MOD Set 1.2: A 550 ASN : amide:sc= -2.44 K(o=-9.2,f=-8.5) USER MOD Set 2.1: A 512 ASN : amide:sc= -2.47 K(o=-2.6,f=-0.28) USER MOD Set 2.2: A 516 HIS : no HD1:sc= -0.127 K(o=-2.6,f=-0.28) USER MOD Single : A 508 GLN : amide:sc= -2.23! C(o=-2.2!,f=-3!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -4.36! C(o=-4.4!,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 -29:sc= -2.06 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 -142:sc= -3.94! (180deg=-4.32!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 551 GLN : amide:sc= -2.65 K(o=-2.7,f=-11!) USER MOD Single : A 560 GLN : amide:sc= -2.56 K(o=-2.6,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -10.292 -9.376 -0.910 1.00 0.00 N ATOM 2 CA ALA A 507 -11.411 -9.617 0.038 1.00 0.00 C ATOM 3 C ALA A 507 -10.898 -9.737 1.469 1.00 0.00 C ATOM 4 O ALA A 507 -10.314 -10.753 1.845 1.00 0.00 O ATOM 5 CB ALA A 507 -12.173 -10.873 -0.357 1.00 0.00 C ATOM 0 HA ALA A 507 -12.088 -8.764 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -12.990 -11.039 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -12.577 -10.752 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -11.499 -11.729 -0.337 1.00 0.00 H new ATOM 13 N GLN A 508 -11.118 -8.692 2.262 1.00 0.00 N ATOM 14 CA GLN A 508 -10.675 -8.681 3.652 1.00 0.00 C ATOM 15 C GLN A 508 -11.335 -7.538 4.425 1.00 0.00 C ATOM 16 O GLN A 508 -11.357 -6.399 3.960 1.00 0.00 O ATOM 17 CB GLN A 508 -9.149 -8.554 3.730 1.00 0.00 C ATOM 18 CG GLN A 508 -8.520 -7.889 2.513 1.00 0.00 C ATOM 19 CD GLN A 508 -7.006 -7.843 2.589 1.00 0.00 C ATOM 20 OE1 GLN A 508 -6.422 -7.991 3.662 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.363 -7.636 1.446 1.00 0.00 N ATOM 0 H GLN A 508 -11.600 -7.843 1.966 1.00 0.00 H new ATOM 0 HA GLN A 508 -10.974 -9.625 4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.887 -7.982 4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.718 -9.548 3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -8.818 -8.429 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.906 -6.874 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -6.888 -7.519 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.344 -7.594 1.434 1.00 0.00 H new ATOM 30 N PRO A 509 -11.890 -7.831 5.616 1.00 0.00 N ATOM 31 CA PRO A 509 -12.559 -6.833 6.454 1.00 0.00 C ATOM 32 C PRO A 509 -11.594 -6.105 7.378 1.00 0.00 C ATOM 33 O PRO A 509 -11.370 -6.515 8.517 1.00 0.00 O ATOM 34 CB PRO A 509 -13.501 -7.698 7.267 1.00 0.00 C ATOM 35 CG PRO A 509 -12.674 -8.902 7.534 1.00 0.00 C ATOM 36 CD PRO A 509 -11.924 -9.163 6.252 1.00 0.00 C ATOM 0 HA PRO A 509 -13.037 -6.045 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.812 -7.206 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.408 -7.942 6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -11.988 -8.731 8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.297 -9.754 7.806 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -10.921 -9.547 6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -12.434 -9.897 5.627 1.00 0.00 H new ATOM 44 N LYS A 510 -11.028 -5.029 6.874 1.00 0.00 N ATOM 45 CA LYS A 510 -10.076 -4.225 7.639 1.00 0.00 C ATOM 46 C LYS A 510 -10.433 -2.744 7.578 1.00 0.00 C ATOM 47 O LYS A 510 -10.552 -2.072 8.603 1.00 0.00 O ATOM 48 CB LYS A 510 -8.662 -4.446 7.105 1.00 0.00 C ATOM 49 CG LYS A 510 -7.894 -5.529 7.848 1.00 0.00 C ATOM 50 CD LYS A 510 -7.115 -6.418 6.890 1.00 0.00 C ATOM 51 CE LYS A 510 -5.731 -5.855 6.605 1.00 0.00 C ATOM 52 NZ LYS A 510 -4.667 -6.604 7.329 1.00 0.00 N ATOM 0 H LYS A 510 -11.207 -4.682 5.932 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.122 -4.541 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.718 -4.711 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.108 -3.510 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.207 -5.068 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.589 -6.137 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -7.022 -7.418 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -7.667 -6.519 5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -5.537 -5.894 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -5.699 -4.805 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -3.739 -6.189 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -4.837 -6.546 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -4.680 -7.601 7.032 1.00 0.00 H new ATOM 66 N CYS A 511 -10.600 -2.260 6.360 1.00 0.00 N ATOM 67 CA CYS A 511 -10.949 -0.867 6.093 1.00 0.00 C ATOM 68 C CYS A 511 -9.752 0.057 6.234 1.00 0.00 C ATOM 69 O CYS A 511 -9.850 1.145 6.803 1.00 0.00 O ATOM 70 CB CYS A 511 -12.110 -0.400 6.975 1.00 0.00 C ATOM 71 SG CYS A 511 -13.695 -0.253 6.083 1.00 0.00 S ATOM 0 H CYS A 511 -10.497 -2.825 5.517 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.277 -0.818 5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.232 -1.100 7.801 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.858 0.567 7.411 1.00 0.00 H new ATOM 76 N ASN A 512 -8.633 -0.371 5.672 1.00 0.00 N ATOM 77 CA ASN A 512 -7.419 0.428 5.689 1.00 0.00 C ATOM 78 C ASN A 512 -6.786 0.501 4.295 1.00 0.00 C ATOM 79 O ASN A 512 -5.563 0.572 4.175 1.00 0.00 O ATOM 80 CB ASN A 512 -6.409 -0.138 6.688 1.00 0.00 C ATOM 81 CG ASN A 512 -5.508 0.934 7.281 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.099 0.840 8.439 1.00 0.00 O ATOM 83 ND2 ASN A 512 -5.194 1.962 6.494 1.00 0.00 N ATOM 0 H ASN A 512 -8.541 -1.269 5.198 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.694 1.436 5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.944 -0.644 7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -5.795 -0.890 6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.594 2.708 6.845 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -5.553 2.003 5.540 1.00 0.00 H new ATOM 90 N PRO A 513 -7.597 0.484 3.215 1.00 0.00 N ATOM 91 CA PRO A 513 -7.075 0.549 1.850 1.00 0.00 C ATOM 92 C PRO A 513 -6.709 1.976 1.426 1.00 0.00 C ATOM 93 O PRO A 513 -5.643 2.478 1.786 1.00 0.00 O ATOM 94 CB PRO A 513 -8.236 0.007 1.023 1.00 0.00 C ATOM 95 CG PRO A 513 -9.447 0.452 1.768 1.00 0.00 C ATOM 96 CD PRO A 513 -9.075 0.395 3.226 1.00 0.00 C ATOM 0 HA PRO A 513 -6.148 -0.011 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.223 0.405 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.195 -1.079 0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.736 1.462 1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.297 -0.196 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.521 1.217 3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.417 -0.530 3.691 1.00 0.00 H new ATOM 104 N ASN A 514 -7.582 2.626 0.650 1.00 0.00 N ATOM 105 CA ASN A 514 -7.322 3.977 0.180 1.00 0.00 C ATOM 106 C ASN A 514 -7.639 5.021 1.252 1.00 0.00 C ATOM 107 O ASN A 514 -7.567 6.222 0.999 1.00 0.00 O ATOM 108 CB ASN A 514 -8.132 4.255 -1.090 1.00 0.00 C ATOM 109 CG ASN A 514 -9.614 4.442 -0.815 1.00 0.00 C ATOM 110 OD1 ASN A 514 -10.008 5.312 -0.039 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.444 3.627 -1.455 1.00 0.00 N ATOM 0 H ASN A 514 -8.471 2.234 0.338 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.259 4.053 -0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.742 5.149 -1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.998 3.429 -1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.451 3.709 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.075 2.919 -2.090 1.00 0.00 H new ATOM 118 N LEU A 515 -7.983 4.563 2.449 1.00 0.00 N ATOM 119 CA LEU A 515 -8.298 5.469 3.542 1.00 0.00 C ATOM 120 C LEU A 515 -7.098 5.608 4.469 1.00 0.00 C ATOM 121 O LEU A 515 -7.229 5.593 5.693 1.00 0.00 O ATOM 122 CB LEU A 515 -9.525 4.968 4.303 1.00 0.00 C ATOM 123 CG LEU A 515 -10.784 4.808 3.444 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.990 6.039 2.571 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.690 3.552 2.583 1.00 0.00 C ATOM 0 H LEU A 515 -8.050 3.573 2.685 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.529 6.453 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.287 4.007 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.741 5.661 5.116 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.643 4.705 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.888 5.910 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.102 6.919 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.128 6.169 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.593 3.456 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.822 3.624 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.587 2.677 3.225 1.00 0.00 H new ATOM 137 N HIS A 516 -5.926 5.744 3.856 1.00 0.00 N ATOM 138 CA HIS A 516 -4.670 5.890 4.581 1.00 0.00 C ATOM 139 C HIS A 516 -3.499 5.838 3.606 1.00 0.00 C ATOM 140 O HIS A 516 -2.494 6.520 3.791 1.00 0.00 O ATOM 141 CB HIS A 516 -4.521 4.794 5.640 1.00 0.00 C ATOM 142 CG HIS A 516 -4.147 5.319 6.992 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.593 4.755 8.169 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.365 6.364 7.351 1.00 0.00 C ATOM 145 CE1 HIS A 516 -4.102 5.431 9.192 1.00 0.00 C ATOM 146 NE2 HIS A 516 -3.354 6.412 8.723 1.00 0.00 N ATOM 0 H HIS A 516 -5.821 5.756 2.841 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.674 6.856 5.087 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.460 4.245 5.719 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.763 4.083 5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.846 7.035 6.682 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -4.282 5.217 10.235 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -2.850 7.095 9.288 1.00 0.00 H new ATOM 155 N TYR A 517 -3.650 5.019 2.565 1.00 0.00 N ATOM 156 CA TYR A 517 -2.623 4.853 1.532 1.00 0.00 C ATOM 157 C TYR A 517 -1.900 6.172 1.235 1.00 0.00 C ATOM 158 O TYR A 517 -0.680 6.203 1.078 1.00 0.00 O ATOM 159 CB TYR A 517 -3.258 4.284 0.254 1.00 0.00 C ATOM 160 CG TYR A 517 -3.992 5.308 -0.590 1.00 0.00 C ATOM 161 CD1 TYR A 517 -5.055 6.037 -0.070 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.626 5.539 -1.909 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.730 6.966 -0.838 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.295 6.468 -2.685 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.346 7.178 -2.144 1.00 0.00 C ATOM 166 OH TYR A 517 -6.015 8.104 -2.913 1.00 0.00 O ATOM 0 H TYR A 517 -4.485 4.453 2.413 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.876 4.152 1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.477 3.824 -0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.954 3.492 0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.359 5.874 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.804 4.984 -2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.554 7.523 -0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.996 6.636 -3.709 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.619 8.132 -3.809 1.00 0.00 H new ATOM 176 N TRP A 518 -2.667 7.255 1.174 1.00 0.00 N ATOM 177 CA TRP A 518 -2.124 8.585 0.915 1.00 0.00 C ATOM 178 C TRP A 518 -1.253 9.037 2.081 1.00 0.00 C ATOM 179 O TRP A 518 -1.659 9.874 2.888 1.00 0.00 O ATOM 180 CB TRP A 518 -3.270 9.579 0.715 1.00 0.00 C ATOM 181 CG TRP A 518 -4.365 9.402 1.724 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.240 8.869 2.975 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.746 9.742 1.570 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.455 8.851 3.606 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.398 9.387 2.767 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.493 10.312 0.539 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.764 9.585 2.957 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.849 10.509 0.728 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.471 10.147 1.930 1.00 0.00 C ATOM 0 H TRP A 518 -3.679 7.237 1.302 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.513 8.546 0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.881 10.595 0.780 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.681 9.458 -0.287 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.316 8.513 3.405 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.630 8.497 4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -6.021 10.595 -0.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.247 9.305 3.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.438 10.949 -0.064 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.531 10.315 2.048 1.00 0.00 H new ATOM 200 N THR A 519 -0.062 8.467 2.175 1.00 0.00 N ATOM 201 CA THR A 519 0.856 8.796 3.256 1.00 0.00 C ATOM 202 C THR A 519 2.286 8.463 2.866 1.00 0.00 C ATOM 203 O THR A 519 3.168 9.320 2.885 1.00 0.00 O ATOM 204 CB THR A 519 0.464 8.018 4.507 1.00 0.00 C ATOM 205 OG1 THR A 519 1.480 8.090 5.491 1.00 0.00 O ATOM 206 CG2 THR A 519 0.179 6.556 4.238 1.00 0.00 C ATOM 0 H THR A 519 0.292 7.774 1.516 1.00 0.00 H new ATOM 0 HA THR A 519 0.796 9.866 3.456 1.00 0.00 H new ATOM 0 HB THR A 519 -0.453 8.490 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.204 7.585 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.094 6.061 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.643 6.470 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.068 6.082 3.823 1.00 0.00 H new ATOM 214 N THR A 520 2.493 7.211 2.495 1.00 0.00 N ATOM 215 CA THR A 520 3.798 6.742 2.072 1.00 0.00 C ATOM 216 C THR A 520 3.700 6.129 0.680 1.00 0.00 C ATOM 217 O THR A 520 4.710 5.785 0.071 1.00 0.00 O ATOM 218 CB THR A 520 4.368 5.731 3.075 1.00 0.00 C ATOM 219 OG1 THR A 520 5.764 5.582 2.892 1.00 0.00 O ATOM 220 CG2 THR A 520 3.747 4.352 2.982 1.00 0.00 C ATOM 0 H THR A 520 1.765 6.496 2.479 1.00 0.00 H new ATOM 0 HA THR A 520 4.480 7.591 2.035 1.00 0.00 H new ATOM 0 HB THR A 520 4.131 6.144 4.055 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.990 5.746 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.204 3.696 3.723 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.676 4.422 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.914 3.944 1.985 1.00 0.00 H new ATOM 228 N GLN A 521 2.470 6.008 0.174 1.00 0.00 N ATOM 229 CA GLN A 521 2.248 5.455 -1.148 1.00 0.00 C ATOM 230 C GLN A 521 2.197 6.576 -2.187 1.00 0.00 C ATOM 231 O GLN A 521 2.624 6.414 -3.330 1.00 0.00 O ATOM 232 CB GLN A 521 0.964 4.609 -1.177 1.00 0.00 C ATOM 233 CG GLN A 521 -0.290 5.397 -1.510 1.00 0.00 C ATOM 234 CD GLN A 521 -0.504 5.532 -3.001 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.546 4.541 -3.727 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.640 6.765 -3.462 1.00 0.00 N ATOM 0 H GLN A 521 1.620 6.287 0.664 1.00 0.00 H new ATOM 0 HA GLN A 521 3.081 4.798 -1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.084 3.811 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.834 4.133 -0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.155 4.905 -1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.222 6.389 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.598 7.557 -2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.787 6.923 -4.459 1.00 0.00 H new ATOM 245 N ASP A 522 1.688 7.720 -1.764 1.00 0.00 N ATOM 246 CA ASP A 522 1.591 8.896 -2.629 1.00 0.00 C ATOM 247 C ASP A 522 2.774 9.831 -2.402 1.00 0.00 C ATOM 248 O ASP A 522 2.871 10.897 -3.008 1.00 0.00 O ATOM 249 CB ASP A 522 0.284 9.643 -2.371 1.00 0.00 C ATOM 250 CG ASP A 522 -0.524 9.852 -3.638 1.00 0.00 C ATOM 251 OD1 ASP A 522 -0.061 10.606 -4.520 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.619 9.261 -3.748 1.00 0.00 O ATOM 0 H ASP A 522 1.331 7.866 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 522 1.607 8.556 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.314 9.085 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.505 10.611 -1.921 1.00 0.00 H new ATOM 257 N GLU A 523 3.664 9.409 -1.522 1.00 0.00 N ATOM 258 CA GLU A 523 4.857 10.172 -1.182 1.00 0.00 C ATOM 259 C GLU A 523 6.070 9.254 -1.204 1.00 0.00 C ATOM 260 O GLU A 523 7.204 9.698 -1.373 1.00 0.00 O ATOM 261 CB GLU A 523 4.693 10.813 0.196 1.00 0.00 C ATOM 262 CG GLU A 523 3.242 11.072 0.566 1.00 0.00 C ATOM 263 CD GLU A 523 3.089 12.130 1.641 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.491 13.287 1.396 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.569 11.802 2.728 1.00 0.00 O ATOM 0 H GLU A 523 3.582 8.525 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 523 5.002 10.966 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.143 10.164 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.241 11.755 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.695 11.383 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.788 10.143 0.910 1.00 0.00 H new ATOM 272 N GLY A 524 5.804 7.963 -1.051 1.00 0.00 N ATOM 273 CA GLY A 524 6.849 6.971 -1.077 1.00 0.00 C ATOM 274 C GLY A 524 6.636 5.984 -2.205 1.00 0.00 C ATOM 275 O GLY A 524 7.596 5.482 -2.791 1.00 0.00 O ATOM 0 H GLY A 524 4.867 7.586 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.816 7.460 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.875 6.440 -0.125 1.00 0.00 H new ATOM 279 N ALA A 525 5.368 5.720 -2.529 1.00 0.00 N ATOM 280 CA ALA A 525 5.040 4.801 -3.613 1.00 0.00 C ATOM 281 C ALA A 525 4.728 5.572 -4.886 1.00 0.00 C ATOM 282 O ALA A 525 4.098 5.057 -5.810 1.00 0.00 O ATOM 283 CB ALA A 525 3.875 3.900 -3.223 1.00 0.00 C ATOM 0 H ALA A 525 4.560 6.128 -2.059 1.00 0.00 H new ATOM 0 HA ALA A 525 5.906 4.167 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.647 3.223 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.143 3.320 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.000 4.511 -3.004 1.00 0.00 H new ATOM 289 N ALA A 526 5.187 6.813 -4.913 1.00 0.00 N ATOM 290 CA ALA A 526 4.983 7.697 -6.053 1.00 0.00 C ATOM 291 C ALA A 526 6.246 8.501 -6.365 1.00 0.00 C ATOM 292 O ALA A 526 6.277 9.272 -7.325 1.00 0.00 O ATOM 293 CB ALA A 526 3.824 8.637 -5.773 1.00 0.00 C ATOM 0 H ALA A 526 5.711 7.237 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 526 4.752 7.083 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.675 9.296 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.918 8.056 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.046 9.235 -4.889 1.00 0.00 H new ATOM 299 N ILE A 527 7.279 8.335 -5.541 1.00 0.00 N ATOM 300 CA ILE A 527 8.526 9.058 -5.719 1.00 0.00 C ATOM 301 C ILE A 527 9.706 8.269 -5.148 1.00 0.00 C ATOM 302 O ILE A 527 10.748 8.142 -5.789 1.00 0.00 O ATOM 303 CB ILE A 527 8.470 10.438 -5.027 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.371 10.463 -3.949 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.261 11.542 -6.058 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.034 10.999 -4.423 1.00 0.00 C ATOM 0 H ILE A 527 7.271 7.702 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 527 8.666 9.195 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 527 9.424 10.617 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.228 9.451 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.715 11.071 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.224 12.508 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.086 11.536 -6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.323 11.373 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.321 10.980 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.156 12.024 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.662 10.379 -5.239 1.00 0.00 H new ATOM 318 N GLY A 528 9.535 7.753 -3.932 1.00 0.00 N ATOM 319 CA GLY A 528 10.594 6.995 -3.285 1.00 0.00 C ATOM 320 C GLY A 528 10.790 5.617 -3.884 1.00 0.00 C ATOM 321 O GLY A 528 11.061 5.486 -5.077 1.00 0.00 O ATOM 0 H GLY A 528 8.681 7.847 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.528 7.552 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.365 6.894 -2.224 1.00 0.00 H new ATOM 325 N LEU A 529 10.664 4.584 -3.055 1.00 0.00 N ATOM 326 CA LEU A 529 10.841 3.213 -3.524 1.00 0.00 C ATOM 327 C LEU A 529 9.630 2.349 -3.184 1.00 0.00 C ATOM 328 O LEU A 529 8.812 2.714 -2.345 1.00 0.00 O ATOM 329 CB LEU A 529 12.112 2.606 -2.927 1.00 0.00 C ATOM 330 CG LEU A 529 13.093 2.026 -3.948 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.785 3.141 -4.715 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.117 1.136 -3.257 1.00 0.00 C ATOM 0 H LEU A 529 10.442 4.669 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 529 10.939 3.241 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.625 3.373 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.827 1.817 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 529 12.533 1.418 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.479 2.710 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 529 13.040 3.738 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 529 14.333 3.776 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 529 14.807 0.732 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 529 14.673 1.722 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 529 13.605 0.316 -2.753 1.00 0.00 H new ATOM 344 N ALA A 530 9.527 1.207 -3.861 1.00 0.00 N ATOM 345 CA ALA A 530 8.421 0.262 -3.674 1.00 0.00 C ATOM 346 C ALA A 530 8.281 -0.612 -4.912 1.00 0.00 C ATOM 347 O ALA A 530 7.851 -1.763 -4.843 1.00 0.00 O ATOM 348 CB ALA A 530 7.111 0.994 -3.414 1.00 0.00 C ATOM 0 H ALA A 530 10.209 0.907 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 530 8.644 -0.358 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 530 6.309 0.268 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 530 7.206 1.601 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.879 1.637 -4.263 1.00 0.00 H new ATOM 354 N TRP A 531 8.659 -0.034 -6.043 1.00 0.00 N ATOM 355 CA TRP A 531 8.604 -0.710 -7.334 1.00 0.00 C ATOM 356 C TRP A 531 9.689 -1.783 -7.429 1.00 0.00 C ATOM 357 O TRP A 531 9.693 -2.592 -8.357 1.00 0.00 O ATOM 358 CB TRP A 531 8.782 0.315 -8.467 1.00 0.00 C ATOM 359 CG TRP A 531 9.310 1.636 -7.994 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.580 1.906 -7.575 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.573 2.857 -7.863 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.679 3.219 -7.190 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.462 3.828 -7.365 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.251 3.225 -8.122 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.069 5.143 -7.122 1.00 0.00 C ATOM 366 CZ3 TRP A 531 6.861 4.529 -7.880 1.00 0.00 C ATOM 367 CH2 TRP A 531 7.768 5.475 -7.386 1.00 0.00 C ATOM 0 H TRP A 531 9.014 0.921 -6.093 1.00 0.00 H new ATOM 0 HA TRP A 531 7.631 -1.192 -7.432 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.462 -0.094 -9.214 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.823 0.471 -8.961 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.389 1.191 -7.550 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.521 3.670 -6.832 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.545 2.503 -8.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 9.766 5.874 -6.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 5.840 4.823 -8.075 1.00 0.00 H new ATOM 0 HH2 TRP A 531 7.434 6.487 -7.210 1.00 0.00 H new ATOM 378 N ILE A 532 10.608 -1.780 -6.466 1.00 0.00 N ATOM 379 CA ILE A 532 11.696 -2.749 -6.445 1.00 0.00 C ATOM 380 C ILE A 532 11.302 -4.014 -5.675 1.00 0.00 C ATOM 381 O ILE A 532 10.865 -3.937 -4.526 1.00 0.00 O ATOM 382 CB ILE A 532 12.985 -2.144 -5.825 1.00 0.00 C ATOM 383 CG1 ILE A 532 12.932 -2.158 -4.290 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.204 -0.724 -6.327 1.00 0.00 C ATOM 385 CD1 ILE A 532 11.795 -1.344 -3.712 1.00 0.00 C ATOM 0 H ILE A 532 10.619 -1.117 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 532 11.899 -3.017 -7.482 1.00 0.00 H new ATOM 0 HB ILE A 532 13.823 -2.766 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 532 12.839 -3.189 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.875 -1.776 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.112 -0.317 -5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.305 -0.733 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.353 -0.104 -6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 532 11.823 -1.402 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 532 11.897 -0.304 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 532 10.845 -1.739 -4.072 1.00 0.00 H new ATOM 397 N PRO A 533 11.455 -5.200 -6.293 1.00 0.00 N ATOM 398 CA PRO A 533 11.122 -6.472 -5.655 1.00 0.00 C ATOM 399 C PRO A 533 12.280 -7.025 -4.824 1.00 0.00 C ATOM 400 O PRO A 533 12.352 -8.226 -4.565 1.00 0.00 O ATOM 401 CB PRO A 533 10.845 -7.374 -6.852 1.00 0.00 C ATOM 402 CG PRO A 533 11.767 -6.877 -7.915 1.00 0.00 C ATOM 403 CD PRO A 533 11.970 -5.400 -7.663 1.00 0.00 C ATOM 0 HA PRO A 533 10.292 -6.386 -4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 533 11.040 -8.420 -6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 533 9.804 -7.307 -7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 533 12.718 -7.409 -7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.342 -7.045 -8.905 1.00 0.00 H new ATOM 0 HD2 PRO A 533 13.021 -5.122 -7.739 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.427 -4.793 -8.387 1.00 0.00 H new ATOM 411 N TYR A 534 13.188 -6.141 -4.418 1.00 0.00 N ATOM 412 CA TYR A 534 14.349 -6.534 -3.630 1.00 0.00 C ATOM 413 C TYR A 534 13.951 -6.967 -2.221 1.00 0.00 C ATOM 414 O TYR A 534 14.379 -8.018 -1.744 1.00 0.00 O ATOM 415 CB TYR A 534 15.344 -5.371 -3.561 1.00 0.00 C ATOM 416 CG TYR A 534 16.579 -5.654 -2.731 1.00 0.00 C ATOM 417 CD1 TYR A 534 17.049 -6.951 -2.559 1.00 0.00 C ATOM 418 CD2 TYR A 534 17.274 -4.618 -2.120 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.176 -7.207 -1.802 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.402 -4.866 -1.363 1.00 0.00 C ATOM 421 CZ TYR A 534 18.850 -6.161 -1.207 1.00 0.00 C ATOM 422 OH TYR A 534 19.972 -6.411 -0.452 1.00 0.00 O ATOM 0 H TYR A 534 13.140 -5.143 -4.624 1.00 0.00 H new ATOM 0 HA TYR A 534 14.817 -7.388 -4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 534 15.653 -5.112 -4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.837 -4.498 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.524 -7.772 -3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.927 -3.602 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.527 -8.221 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 534 18.931 -4.049 -0.895 1.00 0.00 H new ATOM 0 HH TYR A 534 20.328 -5.566 -0.105 1.00 0.00 H new ATOM 432 N PHE A 535 13.140 -6.150 -1.554 1.00 0.00 N ATOM 433 CA PHE A 535 12.702 -6.457 -0.194 1.00 0.00 C ATOM 434 C PHE A 535 11.182 -6.569 -0.108 1.00 0.00 C ATOM 435 O PHE A 535 10.657 -7.441 0.583 1.00 0.00 O ATOM 436 CB PHE A 535 13.204 -5.388 0.785 1.00 0.00 C ATOM 437 CG PHE A 535 13.380 -4.027 0.167 1.00 0.00 C ATOM 438 CD1 PHE A 535 14.419 -3.782 -0.717 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.509 -2.996 0.474 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.585 -2.532 -1.284 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.670 -1.744 -0.090 1.00 0.00 C ATOM 442 CZ PHE A 535 13.709 -1.513 -0.969 1.00 0.00 C ATOM 0 H PHE A 535 12.774 -5.275 -1.930 1.00 0.00 H new ATOM 0 HA PHE A 535 13.129 -7.422 0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.501 -5.311 1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.157 -5.712 1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 535 15.107 -4.577 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.695 -3.171 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 535 15.398 -2.353 -1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.984 -0.948 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 535 13.836 -0.535 -1.410 1.00 0.00 H new ATOM 452 N GLY A 536 10.481 -5.682 -0.807 1.00 0.00 N ATOM 453 CA GLY A 536 9.025 -5.703 -0.792 1.00 0.00 C ATOM 454 C GLY A 536 8.449 -5.789 0.615 1.00 0.00 C ATOM 455 O GLY A 536 8.427 -4.791 1.336 1.00 0.00 O ATOM 0 H GLY A 536 10.892 -4.948 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.648 -4.804 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.673 -6.553 -1.376 1.00 0.00 H new ATOM 459 N PRO A 537 7.966 -6.975 1.037 1.00 0.00 N ATOM 460 CA PRO A 537 7.384 -7.168 2.375 1.00 0.00 C ATOM 461 C PRO A 537 8.385 -6.926 3.508 1.00 0.00 C ATOM 462 O PRO A 537 8.014 -6.931 4.682 1.00 0.00 O ATOM 463 CB PRO A 537 6.937 -8.636 2.375 1.00 0.00 C ATOM 464 CG PRO A 537 6.879 -9.027 0.938 1.00 0.00 C ATOM 465 CD PRO A 537 7.938 -8.219 0.249 1.00 0.00 C ATOM 0 HA PRO A 537 6.577 -6.458 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 537 7.640 -9.262 2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 537 5.965 -8.752 2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 537 7.061 -10.095 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.895 -8.821 0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 537 8.903 -8.725 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.687 -8.031 -0.795 1.00 0.00 H new ATOM 473 N ALA A 538 9.649 -6.716 3.156 1.00 0.00 N ATOM 474 CA ALA A 538 10.690 -6.474 4.148 1.00 0.00 C ATOM 475 C ALA A 538 10.711 -5.008 4.564 1.00 0.00 C ATOM 476 O ALA A 538 11.106 -4.674 5.682 1.00 0.00 O ATOM 477 CB ALA A 538 12.047 -6.894 3.603 1.00 0.00 C ATOM 0 H ALA A 538 9.977 -6.709 2.190 1.00 0.00 H new ATOM 0 HA ALA A 538 10.469 -7.074 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 538 12.814 -6.708 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 538 12.028 -7.956 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.272 -6.319 2.704 1.00 0.00 H new ATOM 483 N ALA A 539 10.271 -4.138 3.661 1.00 0.00 N ATOM 484 CA ALA A 539 10.226 -2.707 3.935 1.00 0.00 C ATOM 485 C ALA A 539 9.025 -2.367 4.806 1.00 0.00 C ATOM 486 O ALA A 539 8.999 -1.345 5.490 1.00 0.00 O ATOM 487 CB ALA A 539 10.161 -1.927 2.635 1.00 0.00 C ATOM 0 H ALA A 539 9.940 -4.400 2.732 1.00 0.00 H new ATOM 0 HA ALA A 539 11.134 -2.430 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.128 -0.859 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.043 -2.148 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.265 -2.213 2.084 1.00 0.00 H new ATOM 493 N GLU A 540 8.030 -3.244 4.755 1.00 0.00 N ATOM 494 CA GLU A 540 6.792 -3.094 5.507 1.00 0.00 C ATOM 495 C GLU A 540 7.008 -2.531 6.917 1.00 0.00 C ATOM 496 O GLU A 540 7.170 -3.288 7.875 1.00 0.00 O ATOM 497 CB GLU A 540 6.108 -4.456 5.585 1.00 0.00 C ATOM 498 CG GLU A 540 5.001 -4.636 4.561 1.00 0.00 C ATOM 499 CD GLU A 540 4.023 -5.729 4.944 1.00 0.00 C ATOM 500 OE1 GLU A 540 4.416 -6.915 4.914 1.00 0.00 O ATOM 501 OE2 GLU A 540 2.864 -5.401 5.275 1.00 0.00 O ATOM 0 H GLU A 540 8.061 -4.088 4.184 1.00 0.00 H new ATOM 0 HA GLU A 540 6.167 -2.370 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.854 -5.238 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.693 -4.589 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 540 4.462 -3.696 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 540 5.442 -4.872 3.592 1.00 0.00 H new ATOM 508 N GLY A 541 6.976 -1.201 7.043 1.00 0.00 N ATOM 509 CA GLY A 541 7.136 -0.578 8.345 1.00 0.00 C ATOM 510 C GLY A 541 8.188 0.515 8.398 1.00 0.00 C ATOM 511 O GLY A 541 8.303 1.210 9.407 1.00 0.00 O ATOM 0 H GLY A 541 6.843 -0.550 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.178 -0.157 8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 541 7.394 -1.348 9.072 1.00 0.00 H new ATOM 515 N ILE A 542 8.966 0.674 7.334 1.00 0.00 N ATOM 516 CA ILE A 542 10.007 1.698 7.318 1.00 0.00 C ATOM 517 C ILE A 542 9.595 2.929 6.521 1.00 0.00 C ATOM 518 O ILE A 542 10.037 4.039 6.819 1.00 0.00 O ATOM 519 CB ILE A 542 11.330 1.166 6.740 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.624 -0.238 7.265 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.471 2.114 7.076 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.076 -1.182 6.182 1.00 0.00 C ATOM 0 H ILE A 542 8.899 0.117 6.482 1.00 0.00 H new ATOM 0 HA ILE A 542 10.152 1.979 8.361 1.00 0.00 H new ATOM 0 HB ILE A 542 11.235 1.108 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 542 12.394 -0.180 8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 542 10.728 -0.639 7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.401 1.725 6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.266 3.096 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.565 2.201 8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.270 -2.164 6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.297 -1.266 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 542 12.988 -0.800 5.724 1.00 0.00 H new ATOM 534 N TYR A 543 8.763 2.739 5.504 1.00 0.00 N ATOM 535 CA TYR A 543 8.328 3.866 4.679 1.00 0.00 C ATOM 536 C TYR A 543 7.287 3.450 3.638 1.00 0.00 C ATOM 537 O TYR A 543 6.101 3.347 3.948 1.00 0.00 O ATOM 538 CB TYR A 543 9.537 4.533 3.997 1.00 0.00 C ATOM 539 CG TYR A 543 10.737 3.622 3.824 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.583 2.305 3.406 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.023 4.084 4.077 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.676 1.475 3.248 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.121 3.260 3.920 1.00 0.00 C ATOM 544 CZ TYR A 543 12.943 1.957 3.505 1.00 0.00 C ATOM 545 OH TYR A 543 14.033 1.134 3.348 1.00 0.00 O ATOM 0 H TYR A 543 8.380 1.834 5.232 1.00 0.00 H new ATOM 0 HA TYR A 543 7.852 4.588 5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.230 4.900 3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.837 5.402 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.593 1.925 3.202 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.167 5.104 4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.539 0.454 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.114 3.635 4.121 1.00 0.00 H new ATOM 0 HH TYR A 543 14.850 1.628 3.569 1.00 0.00 H new ATOM 555 N ILE A 544 7.728 3.229 2.400 1.00 0.00 N ATOM 556 CA ILE A 544 6.823 2.849 1.322 1.00 0.00 C ATOM 557 C ILE A 544 6.373 1.406 1.452 1.00 0.00 C ATOM 558 O ILE A 544 5.190 1.131 1.631 1.00 0.00 O ATOM 559 CB ILE A 544 7.468 3.031 -0.065 1.00 0.00 C ATOM 560 CG1 ILE A 544 8.467 4.194 -0.059 1.00 0.00 C ATOM 561 CG2 ILE A 544 6.388 3.252 -1.114 1.00 0.00 C ATOM 562 CD1 ILE A 544 9.906 3.756 0.112 1.00 0.00 C ATOM 0 H ILE A 544 8.706 3.307 2.121 1.00 0.00 H new ATOM 0 HA ILE A 544 5.962 3.512 1.409 1.00 0.00 H new ATOM 0 HB ILE A 544 8.019 2.124 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 544 8.373 4.748 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.207 4.881 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 544 6.852 3.380 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 544 5.722 2.389 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 544 5.816 4.145 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 544 10.556 4.631 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.016 3.228 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 544 10.184 3.093 -0.707 1.00 0.00 H new ATOM 574 N GLU A 545 7.326 0.484 1.356 1.00 0.00 N ATOM 575 CA GLU A 545 7.028 -0.942 1.456 1.00 0.00 C ATOM 576 C GLU A 545 6.410 -1.438 0.158 1.00 0.00 C ATOM 577 O GLU A 545 6.029 -0.638 -0.698 1.00 0.00 O ATOM 578 CB GLU A 545 6.072 -1.223 2.622 1.00 0.00 C ATOM 579 CG GLU A 545 6.328 -0.361 3.852 1.00 0.00 C ATOM 580 CD GLU A 545 5.071 -0.136 4.671 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.316 -1.108 4.879 1.00 0.00 O ATOM 582 OE2 GLU A 545 4.842 1.015 5.102 1.00 0.00 O ATOM 0 H GLU A 545 8.312 0.698 1.209 1.00 0.00 H new ATOM 0 HA GLU A 545 7.963 -1.471 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.048 -1.063 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.156 -2.273 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.084 -0.838 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.733 0.602 3.540 1.00 0.00 H new ATOM 589 N GLY A 546 6.297 -2.756 0.015 1.00 0.00 N ATOM 590 CA GLY A 546 5.704 -3.313 -1.188 1.00 0.00 C ATOM 591 C GLY A 546 4.402 -2.619 -1.531 1.00 0.00 C ATOM 592 O GLY A 546 4.392 -1.659 -2.299 1.00 0.00 O ATOM 0 H GLY A 546 6.603 -3.443 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.402 -3.214 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.525 -4.379 -1.048 1.00 0.00 H new ATOM 596 N LEU A 547 3.310 -3.090 -0.931 1.00 0.00 N ATOM 597 CA LEU A 547 1.985 -2.503 -1.135 1.00 0.00 C ATOM 598 C LEU A 547 1.801 -1.969 -2.554 1.00 0.00 C ATOM 599 O LEU A 547 1.156 -0.942 -2.757 1.00 0.00 O ATOM 600 CB LEU A 547 1.762 -1.373 -0.124 1.00 0.00 C ATOM 601 CG LEU A 547 2.807 -0.252 -0.148 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.667 0.603 -1.400 1.00 0.00 C ATOM 603 CD2 LEU A 547 2.679 0.609 1.098 1.00 0.00 C ATOM 0 H LEU A 547 3.317 -3.885 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 547 1.249 -3.293 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 547 0.780 -0.935 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 547 1.739 -1.804 0.877 1.00 0.00 H new ATOM 0 HG LEU A 547 3.796 -0.709 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.421 1.390 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.805 -0.020 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.674 1.052 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.426 1.402 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.683 1.050 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 547 2.836 -0.007 1.984 1.00 0.00 H new ATOM 615 N MET A 548 2.371 -2.658 -3.534 1.00 0.00 N ATOM 616 CA MET A 548 2.271 -2.226 -4.927 1.00 0.00 C ATOM 617 C MET A 548 0.841 -2.295 -5.459 1.00 0.00 C ATOM 618 O MET A 548 0.619 -2.623 -6.625 1.00 0.00 O ATOM 619 CB MET A 548 3.171 -3.069 -5.815 1.00 0.00 C ATOM 620 CG MET A 548 4.562 -3.294 -5.242 1.00 0.00 C ATOM 621 SD MET A 548 4.997 -5.040 -5.130 1.00 0.00 S ATOM 622 CE MET A 548 4.273 -5.467 -3.550 1.00 0.00 C ATOM 0 H MET A 548 2.906 -3.515 -3.394 1.00 0.00 H new ATOM 0 HA MET A 548 2.592 -1.184 -4.950 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.697 -4.036 -5.984 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.263 -2.585 -6.787 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.294 -2.781 -5.866 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.618 -2.846 -4.250 1.00 0.00 H new ATOM 0 HE1 MET A 548 4.929 -6.162 -3.025 1.00 0.00 H new ATOM 0 HE2 MET A 548 4.147 -4.565 -2.952 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.302 -5.935 -3.709 1.00 0.00 H new ATOM 632 N HIS A 549 -0.119 -1.962 -4.614 1.00 0.00 N ATOM 633 CA HIS A 549 -1.517 -1.962 -5.006 1.00 0.00 C ATOM 634 C HIS A 549 -2.095 -0.561 -4.850 1.00 0.00 C ATOM 635 O HIS A 549 -3.202 -0.280 -5.310 1.00 0.00 O ATOM 636 CB HIS A 549 -2.315 -2.956 -4.156 1.00 0.00 C ATOM 637 CG HIS A 549 -1.573 -4.222 -3.856 1.00 0.00 C ATOM 638 ND1 HIS A 549 -1.333 -4.667 -2.574 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.015 -5.140 -4.682 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.659 -5.803 -2.623 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.455 -6.112 -3.891 1.00 0.00 N ATOM 0 H HIS A 549 0.046 -1.686 -3.646 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.588 -2.267 -6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.593 -2.477 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -3.242 -3.202 -4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.012 -5.112 -5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 549 -0.331 -6.380 -1.771 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.039 -6.939 -4.228 1.00 0.00 H new ATOM 650 N ASN A 550 -1.329 0.317 -4.197 1.00 0.00 N ATOM 651 CA ASN A 550 -1.745 1.704 -3.968 1.00 0.00 C ATOM 652 C ASN A 550 -2.959 1.795 -3.036 1.00 0.00 C ATOM 653 O ASN A 550 -3.083 2.752 -2.273 1.00 0.00 O ATOM 654 CB ASN A 550 -2.045 2.393 -5.302 1.00 0.00 C ATOM 655 CG ASN A 550 -0.806 3.007 -5.929 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.874 4.065 -6.555 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.337 2.345 -5.763 1.00 0.00 N ATOM 0 H ASN A 550 -0.411 0.090 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.919 2.217 -3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.477 1.669 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.793 3.170 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.201 2.712 -6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.349 1.471 -5.237 1.00 0.00 H new ATOM 664 N GLN A 551 -3.845 0.799 -3.099 1.00 0.00 N ATOM 665 CA GLN A 551 -5.042 0.753 -2.265 1.00 0.00 C ATOM 666 C GLN A 551 -6.177 1.563 -2.872 1.00 0.00 C ATOM 667 O GLN A 551 -6.035 2.750 -3.163 1.00 0.00 O ATOM 668 CB GLN A 551 -4.751 1.227 -0.844 1.00 0.00 C ATOM 669 CG GLN A 551 -3.492 0.619 -0.257 1.00 0.00 C ATOM 670 CD GLN A 551 -3.433 0.739 1.254 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.231 1.826 1.794 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.608 -0.382 1.944 1.00 0.00 N ATOM 0 H GLN A 551 -3.751 0.003 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.357 -0.289 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.657 2.313 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.598 0.979 -0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.437 -0.433 -0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.620 1.109 -0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.773 -1.262 1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.578 -0.363 2.963 1.00 0.00 H new ATOM 681 N ASP A 552 -7.304 0.891 -3.054 1.00 0.00 N ATOM 682 CA ASP A 552 -8.496 1.507 -3.625 1.00 0.00 C ATOM 683 C ASP A 552 -9.753 0.745 -3.206 1.00 0.00 C ATOM 684 O ASP A 552 -10.501 0.252 -4.050 1.00 0.00 O ATOM 685 CB ASP A 552 -8.392 1.544 -5.151 1.00 0.00 C ATOM 686 CG ASP A 552 -7.617 2.748 -5.651 1.00 0.00 C ATOM 687 OD1 ASP A 552 -7.969 3.882 -5.262 1.00 0.00 O ATOM 688 OD2 ASP A 552 -6.659 2.557 -6.428 1.00 0.00 O ATOM 0 H ASP A 552 -7.420 -0.093 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.568 2.527 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -7.907 0.633 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -9.394 1.557 -5.580 1.00 0.00 H new ATOM 693 N GLY A 553 -9.978 0.652 -1.898 1.00 0.00 N ATOM 694 CA GLY A 553 -11.143 -0.052 -1.395 1.00 0.00 C ATOM 695 C GLY A 553 -11.025 -1.556 -1.552 1.00 0.00 C ATOM 696 O GLY A 553 -11.876 -2.192 -2.175 1.00 0.00 O ATOM 0 H GLY A 553 -9.375 1.051 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.283 0.190 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -12.030 0.297 -1.923 1.00 0.00 H new ATOM 700 N LEU A 554 -9.965 -2.126 -0.987 1.00 0.00 N ATOM 701 CA LEU A 554 -9.733 -3.565 -1.067 1.00 0.00 C ATOM 702 C LEU A 554 -9.943 -4.230 0.288 1.00 0.00 C ATOM 703 O LEU A 554 -10.360 -5.385 0.366 1.00 0.00 O ATOM 704 CB LEU A 554 -8.314 -3.842 -1.563 1.00 0.00 C ATOM 705 CG LEU A 554 -7.932 -3.139 -2.868 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.591 -3.647 -3.374 1.00 0.00 C ATOM 707 CD2 LEU A 554 -9.012 -3.343 -3.921 1.00 0.00 C ATOM 0 H LEU A 554 -9.252 -1.613 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.451 -3.984 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.610 -3.541 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.197 -4.917 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.843 -2.071 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.335 -3.136 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.822 -3.449 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.653 -4.720 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.723 -2.836 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -9.133 -4.409 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.954 -2.931 -3.560 1.00 0.00 H new ATOM 719 N ILE A 555 -9.653 -3.494 1.355 1.00 0.00 N ATOM 720 CA ILE A 555 -9.811 -4.016 2.710 1.00 0.00 C ATOM 721 C ILE A 555 -11.026 -3.398 3.399 1.00 0.00 C ATOM 722 O ILE A 555 -11.533 -3.941 4.380 1.00 0.00 O ATOM 723 CB ILE A 555 -8.555 -3.782 3.589 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.629 -2.727 2.971 1.00 0.00 C ATOM 725 CG2 ILE A 555 -7.808 -5.091 3.805 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.864 -3.218 1.757 1.00 0.00 C ATOM 0 H ILE A 555 -9.308 -2.535 1.310 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.955 -5.091 2.604 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.887 -3.405 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -8.222 -1.858 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.918 -2.394 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -6.929 -4.910 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.463 -5.805 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.497 -5.496 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.231 -2.416 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.242 -4.068 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.568 -3.523 0.983 1.00 0.00 H new ATOM 738 N CYS A 556 -11.495 -2.264 2.881 1.00 0.00 N ATOM 739 CA CYS A 556 -12.657 -1.586 3.453 1.00 0.00 C ATOM 740 C CYS A 556 -13.952 -2.137 2.866 1.00 0.00 C ATOM 741 O CYS A 556 -14.991 -1.477 2.888 1.00 0.00 O ATOM 742 CB CYS A 556 -12.564 -0.075 3.207 1.00 0.00 C ATOM 743 SG CYS A 556 -13.279 0.985 4.521 1.00 0.00 S ATOM 0 H CYS A 556 -11.090 -1.797 2.070 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.664 -1.770 4.527 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.514 0.191 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.066 0.154 2.267 1.00 0.00 H new ATOM 748 N GLY A 557 -13.872 -3.352 2.343 1.00 0.00 N ATOM 749 CA GLY A 557 -15.010 -3.997 1.754 1.00 0.00 C ATOM 750 C GLY A 557 -14.580 -5.247 1.032 1.00 0.00 C ATOM 751 O GLY A 557 -13.907 -6.099 1.609 1.00 0.00 O ATOM 0 H GLY A 557 -13.016 -3.906 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.737 -4.246 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.504 -3.318 1.059 1.00 0.00 H new ATOM 755 N LEU A 558 -14.937 -5.343 -0.232 1.00 0.00 N ATOM 756 CA LEU A 558 -14.563 -6.494 -1.038 1.00 0.00 C ATOM 757 C LEU A 558 -14.449 -6.101 -2.508 1.00 0.00 C ATOM 758 O LEU A 558 -13.539 -6.538 -3.210 1.00 0.00 O ATOM 759 CB LEU A 558 -15.583 -7.619 -0.864 1.00 0.00 C ATOM 760 CG LEU A 558 -16.326 -7.632 0.477 1.00 0.00 C ATOM 761 CD1 LEU A 558 -17.588 -8.472 0.376 1.00 0.00 C ATOM 762 CD2 LEU A 558 -15.421 -8.152 1.589 1.00 0.00 C ATOM 0 H LEU A 558 -15.486 -4.640 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.591 -6.852 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.317 -7.548 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.070 -8.573 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.612 -6.609 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.104 -8.471 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -18.243 -8.054 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.324 -9.495 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -15.967 -8.153 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.102 -9.167 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.546 -7.508 1.677 1.00 0.00 H new ATOM 774 N ARG A 559 -15.375 -5.263 -2.959 1.00 0.00 N ATOM 775 CA ARG A 559 -15.381 -4.795 -4.338 1.00 0.00 C ATOM 776 C ARG A 559 -15.719 -3.309 -4.396 1.00 0.00 C ATOM 777 O ARG A 559 -16.497 -2.870 -5.244 1.00 0.00 O ATOM 778 CB ARG A 559 -16.383 -5.594 -5.174 1.00 0.00 C ATOM 779 CG ARG A 559 -17.629 -6.009 -4.409 1.00 0.00 C ATOM 780 CD ARG A 559 -18.780 -6.324 -5.349 1.00 0.00 C ATOM 781 NE ARG A 559 -18.821 -7.739 -5.711 1.00 0.00 N ATOM 782 CZ ARG A 559 -18.108 -8.278 -6.699 1.00 0.00 C ATOM 783 NH1 ARG A 559 -17.306 -7.523 -7.440 1.00 0.00 N ATOM 784 NH2 ARG A 559 -18.199 -9.577 -6.949 1.00 0.00 N ATOM 0 H ARG A 559 -16.134 -4.893 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.384 -4.945 -4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.680 -4.997 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.890 -6.487 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.407 -6.884 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.922 -5.210 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.721 -6.044 -4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.685 -5.721 -6.252 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.434 -8.352 -5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -17.232 -6.523 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -16.763 -7.943 -8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -18.815 -10.163 -6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.653 -9.990 -7.705 1.00 0.00 H new ATOM 798 N GLN A 560 -15.130 -2.540 -3.481 1.00 0.00 N ATOM 799 CA GLN A 560 -15.360 -1.096 -3.410 1.00 0.00 C ATOM 800 C GLN A 560 -15.369 -0.465 -4.801 1.00 0.00 C ATOM 801 O GLN A 560 -16.099 0.530 -4.994 1.00 0.00 O ATOM 802 CB GLN A 560 -14.286 -0.424 -2.547 1.00 0.00 C ATOM 803 CG GLN A 560 -14.323 -0.822 -1.074 1.00 0.00 C ATOM 804 CD GLN A 560 -15.734 -0.944 -0.530 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.256 -0.019 0.092 1.00 0.00 O ATOM 806 NE2 GLN A 560 -16.358 -2.093 -0.766 1.00 0.00 N ATOM 807 OXT GLN A 560 -14.646 -0.972 -5.685 1.00 0.00 O ATOM 0 H GLN A 560 -14.486 -2.895 -2.774 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.338 -0.941 -2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.305 -0.669 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.401 0.657 -2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.807 -1.774 -0.947 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.776 -0.082 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.886 -2.832 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.309 -2.236 -0.427 1.00 0.00 H new