USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 390 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 510 LYS NZ :NH3+ -161:sc= 0.0679 (180deg=0) USER MOD Set 1.2: A 520 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 508 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.5!) USER MOD Single : A 512 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 514 ASN : amide:sc= -0.854 K(o=-0.85,f=-1.6!) USER MOD Single : A 516 HIS : no HD1:sc= -2.03 X(o=-2,f=-2.2) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -146:sc= -0.134! USER MOD Single : A 521 GLN : amide:sc= -0.456 X(o=-0.46,f=0) 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 173:sc= -0.364 (180deg=-0.424) USER MOD Single : A 549 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-5.8!) USER MOD Single : A 550 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 551 GLN : amide:sc= -4.58! C(o=-4.6!,f=-9.5!) USER MOD Single : A 560 GLN :FLIP amide:sc= -2.13 F(o=-3.2,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -18.770 3.675 -4.232 1.00 0.00 N ATOM 2 CA ALA A 507 -17.438 3.310 -4.776 1.00 0.00 C ATOM 3 C ALA A 507 -17.148 1.828 -4.565 1.00 0.00 C ATOM 4 O ALA A 507 -17.877 1.137 -3.855 1.00 0.00 O ATOM 5 CB ALA A 507 -16.352 4.153 -4.126 1.00 0.00 C ATOM 0 HA ALA A 507 -17.446 3.507 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -15.381 3.874 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -16.541 5.208 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -16.355 3.983 -3.049 1.00 0.00 H new ATOM 13 N GLN A 508 -16.075 1.349 -5.184 1.00 0.00 N ATOM 14 CA GLN A 508 -15.685 -0.050 -5.060 1.00 0.00 C ATOM 15 C GLN A 508 -14.220 -0.174 -4.651 1.00 0.00 C ATOM 16 O GLN A 508 -13.346 -0.374 -5.495 1.00 0.00 O ATOM 17 CB GLN A 508 -15.924 -0.788 -6.378 1.00 0.00 C ATOM 18 CG GLN A 508 -17.315 -1.388 -6.496 1.00 0.00 C ATOM 19 CD GLN A 508 -18.209 -0.610 -7.441 1.00 0.00 C ATOM 20 OE1 GLN A 508 -17.934 0.545 -7.764 1.00 0.00 O ATOM 21 NE2 GLN A 508 -19.287 -1.242 -7.891 1.00 0.00 N ATOM 0 H GLN A 508 -15.461 1.908 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 508 -16.299 -0.504 -4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -15.764 -0.097 -7.206 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -15.185 -1.583 -6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -17.234 -2.418 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -17.777 -1.421 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -19.476 -2.200 -7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -19.925 -0.769 -8.531 1.00 0.00 H new ATOM 30 N PRO A 509 -13.931 -0.058 -3.343 1.00 0.00 N ATOM 31 CA PRO A 509 -12.570 -0.159 -2.824 1.00 0.00 C ATOM 32 C PRO A 509 -12.146 -1.603 -2.571 1.00 0.00 C ATOM 33 O PRO A 509 -10.975 -1.875 -2.320 1.00 0.00 O ATOM 34 CB PRO A 509 -12.659 0.605 -1.506 1.00 0.00 C ATOM 35 CG PRO A 509 -14.059 0.390 -1.035 1.00 0.00 C ATOM 36 CD PRO A 509 -14.911 0.179 -2.264 1.00 0.00 C ATOM 0 HA PRO A 509 -11.831 0.232 -3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -11.936 0.230 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -12.448 1.665 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.115 -0.475 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -14.411 1.250 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -15.583 -0.670 -2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.532 1.050 -2.473 1.00 0.00 H new ATOM 44 N LYS A 510 -13.111 -2.519 -2.619 1.00 0.00 N ATOM 45 CA LYS A 510 -12.857 -3.941 -2.381 1.00 0.00 C ATOM 46 C LYS A 510 -12.799 -4.244 -0.886 1.00 0.00 C ATOM 47 O LYS A 510 -13.086 -5.360 -0.452 1.00 0.00 O ATOM 48 CB LYS A 510 -11.569 -4.399 -3.090 1.00 0.00 C ATOM 49 CG LYS A 510 -10.361 -4.547 -2.173 1.00 0.00 C ATOM 50 CD LYS A 510 -9.063 -4.259 -2.909 1.00 0.00 C ATOM 51 CE LYS A 510 -8.568 -2.852 -2.622 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.084 -2.755 -2.692 1.00 0.00 N ATOM 0 H LYS A 510 -14.086 -2.300 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.688 -4.505 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -11.758 -5.355 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -11.327 -3.683 -3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.459 -3.866 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.333 -5.558 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.304 -4.982 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -9.215 -4.382 -3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -9.010 -2.159 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.905 -2.545 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.768 -1.900 -2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.660 -3.594 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.786 -2.703 -3.687 1.00 0.00 H new ATOM 66 N CYS A 511 -12.436 -3.234 -0.108 1.00 0.00 N ATOM 67 CA CYS A 511 -12.341 -3.356 1.342 1.00 0.00 C ATOM 68 C CYS A 511 -11.646 -4.652 1.753 1.00 0.00 C ATOM 69 O CYS A 511 -12.270 -5.556 2.310 1.00 0.00 O ATOM 70 CB CYS A 511 -13.738 -3.275 1.961 1.00 0.00 C ATOM 71 SG CYS A 511 -14.286 -1.580 2.348 1.00 0.00 S ATOM 0 H CYS A 511 -12.199 -2.307 -0.463 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.735 -2.530 1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.454 -3.729 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -13.753 -3.868 2.876 1.00 0.00 H new ATOM 76 N ASN A 512 -10.348 -4.726 1.481 1.00 0.00 N ATOM 77 CA ASN A 512 -9.556 -5.901 1.824 1.00 0.00 C ATOM 78 C ASN A 512 -8.456 -5.529 2.814 1.00 0.00 C ATOM 79 O ASN A 512 -7.309 -5.317 2.425 1.00 0.00 O ATOM 80 CB ASN A 512 -8.944 -6.519 0.564 1.00 0.00 C ATOM 81 CG ASN A 512 -9.536 -7.875 0.239 1.00 0.00 C ATOM 82 OD1 ASN A 512 -8.836 -8.888 0.242 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.834 -7.903 -0.043 1.00 0.00 N ATOM 0 H ASN A 512 -9.820 -3.983 1.022 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.213 -6.636 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.099 -5.846 -0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -7.867 -6.619 0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.288 -8.788 -0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -11.377 -7.039 -0.034 1.00 0.00 H new ATOM 90 N PRO A 513 -8.797 -5.446 4.112 1.00 0.00 N ATOM 91 CA PRO A 513 -7.840 -5.093 5.170 1.00 0.00 C ATOM 92 C PRO A 513 -6.883 -6.233 5.523 1.00 0.00 C ATOM 93 O PRO A 513 -6.267 -6.227 6.588 1.00 0.00 O ATOM 94 CB PRO A 513 -8.742 -4.767 6.360 1.00 0.00 C ATOM 95 CG PRO A 513 -9.972 -5.577 6.140 1.00 0.00 C ATOM 96 CD PRO A 513 -10.150 -5.685 4.647 1.00 0.00 C ATOM 0 HA PRO A 513 -7.188 -4.275 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.261 -5.027 7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.972 -3.702 6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.873 -6.564 6.592 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.838 -5.101 6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -10.526 -6.667 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -10.863 -4.949 4.275 1.00 0.00 H new ATOM 104 N ASN A 514 -6.759 -7.207 4.625 1.00 0.00 N ATOM 105 CA ASN A 514 -5.876 -8.345 4.843 1.00 0.00 C ATOM 106 C ASN A 514 -4.529 -8.127 4.158 1.00 0.00 C ATOM 107 O ASN A 514 -3.491 -8.560 4.655 1.00 0.00 O ATOM 108 CB ASN A 514 -6.539 -9.621 4.319 1.00 0.00 C ATOM 109 CG ASN A 514 -5.612 -10.823 4.353 1.00 0.00 C ATOM 110 OD1 ASN A 514 -4.595 -10.818 5.046 1.00 0.00 O ATOM 111 ND2 ASN A 514 -5.960 -11.861 3.601 1.00 0.00 N ATOM 0 H ASN A 514 -7.261 -7.229 3.738 1.00 0.00 H new ATOM 0 HA ASN A 514 -5.697 -8.448 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.426 -9.835 4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -6.875 -9.456 3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -5.375 -12.697 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.812 -11.823 3.042 1.00 0.00 H new ATOM 118 N LEU A 515 -4.558 -7.454 3.012 1.00 0.00 N ATOM 119 CA LEU A 515 -3.342 -7.181 2.256 1.00 0.00 C ATOM 120 C LEU A 515 -2.646 -5.925 2.774 1.00 0.00 C ATOM 121 O LEU A 515 -2.687 -4.871 2.140 1.00 0.00 O ATOM 122 CB LEU A 515 -3.672 -7.023 0.771 1.00 0.00 C ATOM 123 CG LEU A 515 -4.629 -8.074 0.207 1.00 0.00 C ATOM 124 CD1 LEU A 515 -5.461 -7.487 -0.922 1.00 0.00 C ATOM 125 CD2 LEU A 515 -3.859 -9.294 -0.274 1.00 0.00 C ATOM 0 H LEU A 515 -5.410 -7.088 2.587 1.00 0.00 H new ATOM 0 HA LEU A 515 -2.664 -8.024 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.107 -6.036 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.743 -7.057 0.202 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.304 -8.387 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.136 -8.249 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.042 -6.645 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.802 -7.145 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -4.557 -10.031 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.159 -8.998 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -3.308 -9.729 0.560 1.00 0.00 H new ATOM 137 N HIS A 516 -2.012 -6.047 3.937 1.00 0.00 N ATOM 138 CA HIS A 516 -1.309 -4.924 4.552 1.00 0.00 C ATOM 139 C HIS A 516 -0.027 -4.570 3.796 1.00 0.00 C ATOM 140 O HIS A 516 0.612 -3.559 4.089 1.00 0.00 O ATOM 141 CB HIS A 516 -0.976 -5.249 6.010 1.00 0.00 C ATOM 142 CG HIS A 516 -0.494 -4.066 6.792 1.00 0.00 C ATOM 143 ND1 HIS A 516 -1.296 -3.369 7.672 1.00 0.00 N ATOM 144 CD2 HIS A 516 0.715 -3.458 6.825 1.00 0.00 C ATOM 145 CE1 HIS A 516 -0.601 -2.383 8.211 1.00 0.00 C ATOM 146 NE2 HIS A 516 0.622 -2.416 7.715 1.00 0.00 N ATOM 0 H HIS A 516 -1.970 -6.913 4.474 1.00 0.00 H new ATOM 0 HA HIS A 516 -1.971 -4.059 4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -1.863 -5.657 6.494 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.212 -6.026 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 516 1.590 -3.740 6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -0.971 -1.671 8.934 1.00 0.00 H new ATOM 0 HE2 HIS A 516 1.376 -1.772 7.954 1.00 0.00 H new ATOM 155 N TYR A 517 0.354 -5.404 2.832 1.00 0.00 N ATOM 156 CA TYR A 517 1.568 -5.164 2.056 1.00 0.00 C ATOM 157 C TYR A 517 1.324 -4.171 0.922 1.00 0.00 C ATOM 158 O TYR A 517 1.924 -3.097 0.887 1.00 0.00 O ATOM 159 CB TYR A 517 2.100 -6.480 1.487 1.00 0.00 C ATOM 160 CG TYR A 517 2.941 -7.264 2.469 1.00 0.00 C ATOM 161 CD1 TYR A 517 2.395 -7.741 3.654 1.00 0.00 C ATOM 162 CD2 TYR A 517 4.280 -7.528 2.212 1.00 0.00 C ATOM 163 CE1 TYR A 517 3.159 -8.457 4.555 1.00 0.00 C ATOM 164 CE2 TYR A 517 5.052 -8.244 3.107 1.00 0.00 C ATOM 165 CZ TYR A 517 4.487 -8.706 4.277 1.00 0.00 C ATOM 166 OH TYR A 517 5.251 -9.420 5.171 1.00 0.00 O ATOM 0 H TYR A 517 -0.157 -6.247 2.570 1.00 0.00 H new ATOM 0 HA TYR A 517 2.309 -4.732 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 517 1.259 -7.096 1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.695 -6.269 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 517 1.355 -7.549 3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 517 4.726 -7.167 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 517 2.719 -8.820 5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 517 6.092 -8.441 2.891 1.00 0.00 H new ATOM 0 HH TYR A 517 6.163 -9.508 4.824 1.00 0.00 H new ATOM 176 N TRP A 518 0.450 -4.539 -0.008 1.00 0.00 N ATOM 177 CA TRP A 518 0.138 -3.684 -1.149 1.00 0.00 C ATOM 178 C TRP A 518 -0.682 -2.467 -0.733 1.00 0.00 C ATOM 179 O TRP A 518 -0.761 -1.487 -1.471 1.00 0.00 O ATOM 180 CB TRP A 518 -0.619 -4.479 -2.215 1.00 0.00 C ATOM 181 CG TRP A 518 0.275 -5.329 -3.067 1.00 0.00 C ATOM 182 CD1 TRP A 518 0.755 -5.024 -4.308 1.00 0.00 C ATOM 183 CD2 TRP A 518 0.792 -6.625 -2.744 1.00 0.00 C ATOM 184 NE1 TRP A 518 1.541 -6.048 -4.775 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.579 -7.043 -3.834 1.00 0.00 C ATOM 186 CE3 TRP A 518 0.668 -7.472 -1.639 1.00 0.00 C ATOM 187 CZ2 TRP A 518 2.238 -8.270 -3.850 1.00 0.00 C ATOM 188 CZ3 TRP A 518 1.322 -8.690 -1.656 1.00 0.00 C ATOM 189 CH2 TRP A 518 2.099 -9.079 -2.754 1.00 0.00 C ATOM 0 H TRP A 518 -0.056 -5.425 0.005 1.00 0.00 H new ATOM 0 HA TRP A 518 1.082 -3.329 -1.562 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.357 -5.116 -1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -1.167 -3.787 -2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 518 0.547 -4.110 -4.844 1.00 0.00 H new ATOM 0 HE1 TRP A 518 2.019 -6.065 -5.676 1.00 0.00 H new ATOM 0 HE3 TRP A 518 0.072 -7.180 -0.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 2.837 -8.572 -4.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 1.232 -9.353 -0.808 1.00 0.00 H new ATOM 0 HH2 TRP A 518 2.599 -10.036 -2.736 1.00 0.00 H new ATOM 200 N THR A 519 -1.291 -2.534 0.447 1.00 0.00 N ATOM 201 CA THR A 519 -2.110 -1.438 0.960 1.00 0.00 C ATOM 202 C THR A 519 -3.192 -1.043 -0.052 1.00 0.00 C ATOM 203 O THR A 519 -4.341 -1.466 0.068 1.00 0.00 O ATOM 204 CB THR A 519 -1.233 -0.233 1.349 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.976 0.601 0.233 1.00 0.00 O ATOM 206 CG2 THR A 519 0.105 -0.635 1.933 1.00 0.00 C ATOM 0 H THR A 519 -1.233 -3.340 1.070 1.00 0.00 H new ATOM 0 HA THR A 519 -2.615 -1.783 1.862 1.00 0.00 H new ATOM 0 HB THR A 519 -1.807 0.299 2.107 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.077 0.984 0.311 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.675 0.259 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.054 -1.230 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.659 -1.223 1.202 1.00 0.00 H new ATOM 214 N THR A 520 -2.826 -0.255 -1.061 1.00 0.00 N ATOM 215 CA THR A 520 -3.774 0.163 -2.090 1.00 0.00 C ATOM 216 C THR A 520 -3.085 1.098 -3.072 1.00 0.00 C ATOM 217 O THR A 520 -2.929 0.776 -4.249 1.00 0.00 O ATOM 218 CB THR A 520 -4.989 0.854 -1.458 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.974 -0.096 -1.091 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.648 1.861 -2.371 1.00 0.00 C ATOM 0 H THR A 520 -1.881 0.106 -1.187 1.00 0.00 H new ATOM 0 HA THR A 520 -4.126 -0.720 -2.624 1.00 0.00 H new ATOM 0 HB THR A 520 -4.598 1.377 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.678 -0.583 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.500 2.312 -1.861 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.930 2.638 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.990 1.361 -3.277 1.00 0.00 H new ATOM 228 N GLN A 521 -2.639 2.242 -2.566 1.00 0.00 N ATOM 229 CA GLN A 521 -1.925 3.201 -3.391 1.00 0.00 C ATOM 230 C GLN A 521 -0.540 2.669 -3.689 1.00 0.00 C ATOM 231 O GLN A 521 0.170 3.188 -4.550 1.00 0.00 O ATOM 232 CB GLN A 521 -1.839 4.563 -2.699 1.00 0.00 C ATOM 233 CG GLN A 521 -3.008 5.482 -3.018 1.00 0.00 C ATOM 234 CD GLN A 521 -2.561 6.854 -3.486 1.00 0.00 C ATOM 235 OE1 GLN A 521 -2.708 7.201 -4.658 1.00 0.00 O ATOM 236 NE2 GLN A 521 -2.014 7.642 -2.569 1.00 0.00 N ATOM 0 H GLN A 521 -2.760 2.524 -1.593 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.470 3.339 -4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.791 4.411 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.911 5.053 -2.994 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -3.626 5.023 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -3.633 5.590 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -1.912 7.313 -1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -1.696 8.577 -2.824 1.00 0.00 H new ATOM 245 N ASP A 522 -0.167 1.612 -2.977 1.00 0.00 N ATOM 246 CA ASP A 522 1.120 0.994 -3.173 1.00 0.00 C ATOM 247 C ASP A 522 1.052 -0.058 -4.276 1.00 0.00 C ATOM 248 O ASP A 522 2.076 -0.567 -4.732 1.00 0.00 O ATOM 249 CB ASP A 522 1.628 0.368 -1.876 1.00 0.00 C ATOM 250 CG ASP A 522 2.385 1.354 -1.012 1.00 0.00 C ATOM 251 OD1 ASP A 522 3.567 1.624 -1.316 1.00 0.00 O ATOM 252 OD2 ASP A 522 1.799 1.859 -0.032 1.00 0.00 O ATOM 0 H ASP A 522 -0.744 1.172 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 522 1.821 1.771 -3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 522 0.783 -0.029 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.277 -0.475 -2.113 1.00 0.00 H new ATOM 257 N GLU A 523 -0.170 -0.388 -4.693 1.00 0.00 N ATOM 258 CA GLU A 523 -0.398 -1.385 -5.731 1.00 0.00 C ATOM 259 C GLU A 523 0.543 -1.196 -6.919 1.00 0.00 C ATOM 260 O GLU A 523 0.852 -2.150 -7.633 1.00 0.00 O ATOM 261 CB GLU A 523 -1.856 -1.313 -6.197 1.00 0.00 C ATOM 262 CG GLU A 523 -2.170 -0.101 -7.065 1.00 0.00 C ATOM 263 CD GLU A 523 -3.488 -0.239 -7.801 1.00 0.00 C ATOM 264 OE1 GLU A 523 -4.547 -0.095 -7.154 1.00 0.00 O ATOM 265 OE2 GLU A 523 -3.463 -0.489 -9.024 1.00 0.00 O ATOM 0 H GLU A 523 -1.024 0.028 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.192 -2.368 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.093 -2.218 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.506 -1.299 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -2.198 0.792 -6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.367 0.042 -7.788 1.00 0.00 H new ATOM 272 N GLY A 524 0.996 0.035 -7.129 1.00 0.00 N ATOM 273 CA GLY A 524 1.893 0.309 -8.233 1.00 0.00 C ATOM 274 C GLY A 524 1.714 1.705 -8.788 1.00 0.00 C ATOM 275 O GLY A 524 1.736 1.904 -10.002 1.00 0.00 O ATOM 0 H GLY A 524 0.758 0.845 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.923 0.182 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.722 -0.419 -9.026 1.00 0.00 H new ATOM 279 N ALA A 525 1.524 2.675 -7.898 1.00 0.00 N ATOM 280 CA ALA A 525 1.329 4.055 -8.320 1.00 0.00 C ATOM 281 C ALA A 525 2.617 4.864 -8.230 1.00 0.00 C ATOM 282 O ALA A 525 3.101 5.392 -9.231 1.00 0.00 O ATOM 283 CB ALA A 525 0.230 4.710 -7.497 1.00 0.00 C ATOM 0 H ALA A 525 1.501 2.531 -6.888 1.00 0.00 H new ATOM 0 HA ALA A 525 1.027 4.039 -9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 525 0.096 5.741 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.702 4.162 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.508 4.697 -6.443 1.00 0.00 H new ATOM 289 N ALA A 526 3.173 4.953 -7.029 1.00 0.00 N ATOM 290 CA ALA A 526 4.411 5.693 -6.812 1.00 0.00 C ATOM 291 C ALA A 526 5.366 4.871 -5.969 1.00 0.00 C ATOM 292 O ALA A 526 6.136 5.399 -5.168 1.00 0.00 O ATOM 293 CB ALA A 526 4.127 7.034 -6.152 1.00 0.00 C ATOM 0 H ALA A 526 2.787 4.522 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 526 4.877 5.886 -7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 526 5.064 7.570 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.472 7.624 -6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.641 6.870 -5.190 1.00 0.00 H new ATOM 299 N ILE A 527 5.278 3.567 -6.153 1.00 0.00 N ATOM 300 CA ILE A 527 6.092 2.622 -5.418 1.00 0.00 C ATOM 301 C ILE A 527 7.346 2.203 -6.186 1.00 0.00 C ATOM 302 O ILE A 527 8.139 1.402 -5.697 1.00 0.00 O ATOM 303 CB ILE A 527 5.246 1.388 -5.071 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.666 0.744 -6.338 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.115 1.809 -4.150 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.692 0.044 -7.199 1.00 0.00 C ATOM 0 H ILE A 527 4.638 3.134 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 527 6.432 3.115 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 527 5.882 0.653 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 527 3.899 0.026 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.174 1.514 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.508 0.939 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.529 2.239 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.494 2.551 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.202 -0.384 -8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.447 0.761 -7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.168 -0.751 -6.624 1.00 0.00 H new ATOM 318 N GLY A 528 7.511 2.736 -7.393 1.00 0.00 N ATOM 319 CA GLY A 528 8.657 2.389 -8.220 1.00 0.00 C ATOM 320 C GLY A 528 10.010 2.691 -7.591 1.00 0.00 C ATOM 321 O GLY A 528 11.043 2.363 -8.175 1.00 0.00 O ATOM 0 H GLY A 528 6.869 3.406 -7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.610 1.326 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.582 2.927 -9.165 1.00 0.00 H new ATOM 325 N LEU A 529 10.028 3.315 -6.415 1.00 0.00 N ATOM 326 CA LEU A 529 11.293 3.642 -5.762 1.00 0.00 C ATOM 327 C LEU A 529 11.661 2.611 -4.697 1.00 0.00 C ATOM 328 O LEU A 529 12.820 2.214 -4.577 1.00 0.00 O ATOM 329 CB LEU A 529 11.225 5.038 -5.136 1.00 0.00 C ATOM 330 CG LEU A 529 9.985 5.313 -4.280 1.00 0.00 C ATOM 331 CD1 LEU A 529 10.383 5.640 -2.848 1.00 0.00 C ATOM 332 CD2 LEU A 529 9.163 6.448 -4.877 1.00 0.00 C ATOM 0 H LEU A 529 9.194 3.601 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 529 12.070 3.627 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.112 5.185 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.266 5.779 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 529 9.372 4.412 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 529 9.488 5.832 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 529 10.927 4.798 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 529 11.020 6.525 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 529 8.286 6.629 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 529 9.770 7.353 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 529 8.844 6.176 -5.883 1.00 0.00 H new ATOM 344 N ALA A 530 10.671 2.193 -3.917 1.00 0.00 N ATOM 345 CA ALA A 530 10.885 1.222 -2.848 1.00 0.00 C ATOM 346 C ALA A 530 10.384 -0.168 -3.219 1.00 0.00 C ATOM 347 O ALA A 530 10.430 -1.087 -2.402 1.00 0.00 O ATOM 348 CB ALA A 530 10.181 1.685 -1.594 1.00 0.00 C ATOM 0 H ALA A 530 9.706 2.513 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 530 11.960 1.154 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.342 0.959 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.580 2.653 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 530 9.113 1.778 -1.790 1.00 0.00 H new ATOM 354 N TRP A 531 9.878 -0.313 -4.434 1.00 0.00 N ATOM 355 CA TRP A 531 9.330 -1.584 -4.891 1.00 0.00 C ATOM 356 C TRP A 531 10.318 -2.740 -4.755 1.00 0.00 C ATOM 357 O TRP A 531 9.942 -3.900 -4.928 1.00 0.00 O ATOM 358 CB TRP A 531 8.885 -1.442 -6.337 1.00 0.00 C ATOM 359 CG TRP A 531 7.956 -2.528 -6.788 1.00 0.00 C ATOM 360 CD1 TRP A 531 8.123 -3.360 -7.857 1.00 0.00 C ATOM 361 CD2 TRP A 531 6.713 -2.898 -6.180 1.00 0.00 C ATOM 362 NE1 TRP A 531 7.061 -4.226 -7.952 1.00 0.00 N ATOM 363 CE2 TRP A 531 6.181 -3.962 -6.934 1.00 0.00 C ATOM 364 CE3 TRP A 531 5.998 -2.434 -5.073 1.00 0.00 C ATOM 365 CZ2 TRP A 531 4.969 -4.568 -6.614 1.00 0.00 C ATOM 366 CZ3 TRP A 531 4.795 -3.036 -4.756 1.00 0.00 C ATOM 367 CH2 TRP A 531 4.291 -4.094 -5.524 1.00 0.00 C ATOM 0 H TRP A 531 9.835 0.436 -5.125 1.00 0.00 H new ATOM 0 HA TRP A 531 8.481 -1.826 -4.252 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.392 -0.478 -6.464 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.765 -1.437 -6.980 1.00 0.00 H new ATOM 0 HD1 TRP A 531 8.967 -3.340 -8.530 1.00 0.00 H new ATOM 0 HE1 TRP A 531 6.946 -4.948 -8.664 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.379 -1.619 -4.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 4.578 -5.383 -7.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 4.234 -2.685 -3.902 1.00 0.00 H new ATOM 0 HH2 TRP A 531 3.348 -4.544 -5.250 1.00 0.00 H new ATOM 378 N ILE A 532 11.570 -2.438 -4.436 1.00 0.00 N ATOM 379 CA ILE A 532 12.571 -3.479 -4.272 1.00 0.00 C ATOM 380 C ILE A 532 13.414 -3.237 -3.023 1.00 0.00 C ATOM 381 O ILE A 532 14.557 -2.789 -3.106 1.00 0.00 O ATOM 382 CB ILE A 532 13.482 -3.569 -5.509 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.095 -2.200 -5.823 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.685 -4.083 -6.698 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.570 -2.106 -5.503 1.00 0.00 C ATOM 0 H ILE A 532 11.913 -1.489 -4.287 1.00 0.00 H new ATOM 0 HA ILE A 532 12.043 -4.426 -4.158 1.00 0.00 H new ATOM 0 HB ILE A 532 14.294 -4.265 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 532 13.947 -1.979 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.561 -1.435 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.334 -4.145 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.288 -5.072 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 532 11.861 -3.401 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 532 15.933 -1.109 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 532 15.725 -2.294 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.117 -2.847 -6.086 1.00 0.00 H new ATOM 397 N PRO A 533 12.848 -3.529 -1.840 1.00 0.00 N ATOM 398 CA PRO A 533 13.533 -3.340 -0.557 1.00 0.00 C ATOM 399 C PRO A 533 14.772 -4.217 -0.420 1.00 0.00 C ATOM 400 O PRO A 533 14.695 -5.339 0.082 1.00 0.00 O ATOM 401 CB PRO A 533 12.481 -3.745 0.484 1.00 0.00 C ATOM 402 CG PRO A 533 11.181 -3.676 -0.239 1.00 0.00 C ATOM 403 CD PRO A 533 11.487 -4.057 -1.655 1.00 0.00 C ATOM 0 HA PRO A 533 13.892 -2.317 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 533 12.668 -4.749 0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.493 -3.071 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 533 10.451 -4.356 0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.756 -2.674 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.447 -5.136 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.781 -3.613 -2.356 1.00 0.00 H new ATOM 411 N TYR A 534 15.915 -3.700 -0.857 1.00 0.00 N ATOM 412 CA TYR A 534 17.165 -4.443 -0.765 1.00 0.00 C ATOM 413 C TYR A 534 17.482 -4.759 0.692 1.00 0.00 C ATOM 414 O TYR A 534 17.685 -5.916 1.060 1.00 0.00 O ATOM 415 CB TYR A 534 18.307 -3.643 -1.395 1.00 0.00 C ATOM 416 CG TYR A 534 19.053 -4.398 -2.473 1.00 0.00 C ATOM 417 CD1 TYR A 534 18.370 -5.016 -3.513 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.438 -4.491 -2.449 1.00 0.00 C ATOM 419 CE1 TYR A 534 19.049 -5.707 -4.500 1.00 0.00 C ATOM 420 CE2 TYR A 534 21.124 -5.180 -3.432 1.00 0.00 C ATOM 421 CZ TYR A 534 20.425 -5.785 -4.454 1.00 0.00 C ATOM 422 OH TYR A 534 21.104 -6.473 -5.435 1.00 0.00 O ATOM 0 H TYR A 534 16.001 -2.774 -1.276 1.00 0.00 H new ATOM 0 HA TYR A 534 17.056 -5.380 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.904 -2.724 -1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 534 19.010 -3.352 -0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 534 17.292 -4.956 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 534 20.988 -4.017 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.505 -6.183 -5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 534 22.202 -5.244 -3.399 1.00 0.00 H new ATOM 0 HH TYR A 534 22.067 -6.432 -5.257 1.00 0.00 H new ATOM 432 N PHE A 535 17.510 -3.719 1.519 1.00 0.00 N ATOM 433 CA PHE A 535 17.786 -3.873 2.941 1.00 0.00 C ATOM 434 C PHE A 535 16.594 -3.408 3.776 1.00 0.00 C ATOM 435 O PHE A 535 16.745 -3.053 4.945 1.00 0.00 O ATOM 436 CB PHE A 535 19.038 -3.081 3.328 1.00 0.00 C ATOM 437 CG PHE A 535 20.278 -3.924 3.416 1.00 0.00 C ATOM 438 CD1 PHE A 535 20.782 -4.555 2.290 1.00 0.00 C ATOM 439 CD2 PHE A 535 20.939 -4.084 4.623 1.00 0.00 C ATOM 440 CE1 PHE A 535 21.922 -5.332 2.368 1.00 0.00 C ATOM 441 CE2 PHE A 535 22.080 -4.858 4.706 1.00 0.00 C ATOM 442 CZ PHE A 535 22.573 -5.484 3.578 1.00 0.00 C ATOM 0 H PHE A 535 17.344 -2.756 1.226 1.00 0.00 H new ATOM 0 HA PHE A 535 17.959 -4.930 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 535 19.198 -2.289 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 535 18.869 -2.597 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 535 20.279 -4.438 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 535 20.558 -3.598 5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 535 22.304 -5.820 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 535 22.587 -4.974 5.653 1.00 0.00 H new ATOM 0 HZ PHE A 535 23.464 -6.090 3.641 1.00 0.00 H new ATOM 452 N GLY A 536 15.409 -3.409 3.166 1.00 0.00 N ATOM 453 CA GLY A 536 14.214 -2.980 3.870 1.00 0.00 C ATOM 454 C GLY A 536 13.137 -4.049 3.903 1.00 0.00 C ATOM 455 O GLY A 536 13.081 -4.906 3.019 1.00 0.00 O ATOM 0 H GLY A 536 15.257 -3.699 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 536 14.478 -2.705 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 536 13.817 -2.085 3.391 1.00 0.00 H new ATOM 459 N PRO A 537 12.264 -4.028 4.925 1.00 0.00 N ATOM 460 CA PRO A 537 11.185 -5.013 5.067 1.00 0.00 C ATOM 461 C PRO A 537 10.069 -4.827 4.031 1.00 0.00 C ATOM 462 O PRO A 537 10.116 -5.415 2.951 1.00 0.00 O ATOM 463 CB PRO A 537 10.669 -4.762 6.488 1.00 0.00 C ATOM 464 CG PRO A 537 10.995 -3.334 6.766 1.00 0.00 C ATOM 465 CD PRO A 537 12.270 -3.045 6.026 1.00 0.00 C ATOM 0 HA PRO A 537 11.536 -6.032 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 537 9.596 -4.943 6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.151 -5.425 7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 537 10.192 -2.678 6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 537 11.118 -3.164 7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 537 12.292 -2.022 5.650 1.00 0.00 H new ATOM 0 HD3 PRO A 537 13.142 -3.167 6.668 1.00 0.00 H new ATOM 473 N ALA A 538 9.066 -4.014 4.364 1.00 0.00 N ATOM 474 CA ALA A 538 7.945 -3.763 3.467 1.00 0.00 C ATOM 475 C ALA A 538 8.112 -2.444 2.717 1.00 0.00 C ATOM 476 O ALA A 538 7.146 -1.909 2.181 1.00 0.00 O ATOM 477 CB ALA A 538 6.638 -3.765 4.246 1.00 0.00 C ATOM 0 H ALA A 538 9.010 -3.518 5.253 1.00 0.00 H new ATOM 0 HA ALA A 538 7.922 -4.565 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 538 5.808 -3.576 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 538 6.501 -4.735 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.667 -2.985 5.007 1.00 0.00 H new ATOM 483 N ALA A 539 9.339 -1.921 2.701 1.00 0.00 N ATOM 484 CA ALA A 539 9.650 -0.653 2.032 1.00 0.00 C ATOM 485 C ALA A 539 8.822 -0.426 0.772 1.00 0.00 C ATOM 486 O ALA A 539 8.339 0.676 0.524 1.00 0.00 O ATOM 487 CB ALA A 539 11.117 -0.610 1.663 1.00 0.00 C ATOM 0 H ALA A 539 10.143 -2.361 3.149 1.00 0.00 H new ATOM 0 HA ALA A 539 9.403 0.138 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.340 0.335 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.722 -0.697 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.347 -1.436 0.991 1.00 0.00 H new ATOM 493 N GLU A 540 8.688 -1.468 -0.033 1.00 0.00 N ATOM 494 CA GLU A 540 7.947 -1.376 -1.285 1.00 0.00 C ATOM 495 C GLU A 540 6.485 -0.980 -1.070 1.00 0.00 C ATOM 496 O GLU A 540 5.760 -0.716 -2.029 1.00 0.00 O ATOM 497 CB GLU A 540 8.053 -2.690 -2.059 1.00 0.00 C ATOM 498 CG GLU A 540 7.929 -3.940 -1.203 1.00 0.00 C ATOM 499 CD GLU A 540 6.729 -4.788 -1.577 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.662 -5.244 -2.738 1.00 0.00 O ATOM 501 OE2 GLU A 540 5.856 -4.998 -0.708 1.00 0.00 O ATOM 0 H GLU A 540 9.083 -2.389 0.157 1.00 0.00 H new ATOM 0 HA GLU A 540 8.400 -0.580 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.276 -2.710 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 540 9.011 -2.715 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 540 8.836 -4.536 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 540 7.852 -3.652 -0.155 1.00 0.00 H new ATOM 508 N GLY A 541 6.065 -0.917 0.186 1.00 0.00 N ATOM 509 CA GLY A 541 4.706 -0.527 0.500 1.00 0.00 C ATOM 510 C GLY A 541 4.661 0.634 1.477 1.00 0.00 C ATOM 511 O GLY A 541 3.844 1.545 1.338 1.00 0.00 O ATOM 0 H GLY A 541 6.645 -1.130 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.187 -0.250 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.173 -1.378 0.923 1.00 0.00 H new ATOM 515 N ILE A 542 5.545 0.594 2.470 1.00 0.00 N ATOM 516 CA ILE A 542 5.619 1.639 3.489 1.00 0.00 C ATOM 517 C ILE A 542 6.702 2.677 3.188 1.00 0.00 C ATOM 518 O ILE A 542 6.668 3.784 3.725 1.00 0.00 O ATOM 519 CB ILE A 542 5.851 1.059 4.904 1.00 0.00 C ATOM 520 CG1 ILE A 542 6.863 -0.093 4.885 1.00 0.00 C ATOM 521 CG2 ILE A 542 4.532 0.591 5.501 1.00 0.00 C ATOM 522 CD1 ILE A 542 8.306 0.362 4.875 1.00 0.00 C ATOM 0 H ILE A 542 6.225 -0.156 2.592 1.00 0.00 H new ATOM 0 HA ILE A 542 4.648 2.134 3.464 1.00 0.00 H new ATOM 0 HB ILE A 542 6.265 1.853 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 542 6.697 -0.725 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 542 6.680 -0.710 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 542 4.707 0.185 6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 542 3.844 1.434 5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 542 4.098 -0.181 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 542 8.962 -0.508 4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 542 8.490 0.969 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 542 8.507 0.954 5.768 1.00 0.00 H new ATOM 534 N TYR A 543 7.661 2.326 2.334 1.00 0.00 N ATOM 535 CA TYR A 543 8.740 3.247 1.984 1.00 0.00 C ATOM 536 C TYR A 543 8.580 3.743 0.551 1.00 0.00 C ATOM 537 O TYR A 543 9.186 4.737 0.152 1.00 0.00 O ATOM 538 CB TYR A 543 10.097 2.565 2.152 1.00 0.00 C ATOM 539 CG TYR A 543 11.257 3.531 2.213 1.00 0.00 C ATOM 540 CD1 TYR A 543 11.533 4.242 3.374 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.079 3.732 1.110 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.594 5.126 3.434 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.141 4.614 1.163 1.00 0.00 C ATOM 544 CZ TYR A 543 13.394 5.308 2.326 1.00 0.00 C ATOM 545 OH TYR A 543 14.451 6.187 2.383 1.00 0.00 O ATOM 0 H TYR A 543 7.713 1.417 1.874 1.00 0.00 H new ATOM 0 HA TYR A 543 8.689 4.103 2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.084 1.968 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.253 1.875 1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.908 4.102 4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.884 3.190 0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.795 5.671 4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.770 4.759 0.297 1.00 0.00 H new ATOM 0 HH TYR A 543 14.914 6.198 1.520 1.00 0.00 H new ATOM 555 N ALA A 544 7.754 3.040 -0.210 1.00 0.00 N ATOM 556 CA ALA A 544 7.491 3.388 -1.595 1.00 0.00 C ATOM 557 C ALA A 544 6.288 4.322 -1.695 1.00 0.00 C ATOM 558 O ALA A 544 6.078 4.972 -2.719 1.00 0.00 O ATOM 559 CB ALA A 544 7.256 2.117 -2.392 1.00 0.00 C ATOM 0 H ALA A 544 7.250 2.215 0.116 1.00 0.00 H new ATOM 0 HA ALA A 544 8.353 3.914 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 544 7.058 2.372 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 544 8.141 1.483 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.400 1.582 -1.980 1.00 0.00 H new ATOM 565 N GLU A 545 5.498 4.378 -0.624 1.00 0.00 N ATOM 566 CA GLU A 545 4.313 5.228 -0.594 1.00 0.00 C ATOM 567 C GLU A 545 4.414 6.284 0.505 1.00 0.00 C ATOM 568 O GLU A 545 3.915 7.399 0.356 1.00 0.00 O ATOM 569 CB GLU A 545 3.079 4.358 -0.360 1.00 0.00 C ATOM 570 CG GLU A 545 1.797 5.150 -0.157 1.00 0.00 C ATOM 571 CD GLU A 545 1.046 5.362 -1.458 1.00 0.00 C ATOM 572 OE1 GLU A 545 1.071 4.449 -2.309 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.439 6.439 -1.626 1.00 0.00 O ATOM 0 H GLU A 545 5.658 3.846 0.231 1.00 0.00 H new ATOM 0 HA GLU A 545 4.233 5.745 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.951 3.690 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.249 3.731 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.155 4.625 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 545 2.035 6.117 0.286 1.00 0.00 H new ATOM 580 N GLY A 546 5.072 5.920 1.598 1.00 0.00 N ATOM 581 CA GLY A 546 5.254 6.823 2.722 1.00 0.00 C ATOM 582 C GLY A 546 4.069 7.740 2.981 1.00 0.00 C ATOM 583 O GLY A 546 4.256 8.919 3.282 1.00 0.00 O ATOM 0 H GLY A 546 5.490 4.999 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.447 6.235 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.140 7.433 2.544 1.00 0.00 H new ATOM 587 N LEU A 547 2.846 7.214 2.881 1.00 0.00 N ATOM 588 CA LEU A 547 1.666 8.037 3.130 1.00 0.00 C ATOM 589 C LEU A 547 0.379 7.208 3.146 1.00 0.00 C ATOM 590 O LEU A 547 -0.301 7.132 4.169 1.00 0.00 O ATOM 591 CB LEU A 547 1.616 9.177 2.097 1.00 0.00 C ATOM 592 CG LEU A 547 0.341 9.302 1.251 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.064 10.762 1.110 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.555 8.675 -0.119 1.00 0.00 C ATOM 0 H LEU A 547 2.651 6.244 2.635 1.00 0.00 H new ATOM 0 HA LEU A 547 1.744 8.474 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.764 10.119 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.461 9.056 1.419 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.465 8.769 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -0.970 10.832 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.252 11.185 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.739 11.317 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.356 8.770 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.372 9.185 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.803 7.620 -0.002 1.00 0.00 H new ATOM 606 N MET A 548 0.056 6.577 2.027 1.00 0.00 N ATOM 607 CA MET A 548 -1.139 5.743 1.942 1.00 0.00 C ATOM 608 C MET A 548 -0.783 4.280 2.178 1.00 0.00 C ATOM 609 O MET A 548 -1.594 3.385 1.949 1.00 0.00 O ATOM 610 CB MET A 548 -1.823 5.908 0.584 1.00 0.00 C ATOM 611 CG MET A 548 -3.108 6.719 0.642 1.00 0.00 C ATOM 612 SD MET A 548 -2.817 8.497 0.560 1.00 0.00 S ATOM 613 CE MET A 548 -3.065 8.960 2.273 1.00 0.00 C ATOM 0 H MET A 548 0.601 6.625 1.166 1.00 0.00 H new ATOM 0 HA MET A 548 -1.834 6.065 2.717 1.00 0.00 H new ATOM 0 HB2 MET A 548 -1.130 6.390 -0.106 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.044 4.922 0.176 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.756 6.423 -0.183 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.639 6.485 1.565 1.00 0.00 H new ATOM 0 HE1 MET A 548 -2.799 10.008 2.409 1.00 0.00 H new ATOM 0 HE2 MET A 548 -4.111 8.813 2.542 1.00 0.00 H new ATOM 0 HE3 MET A 548 -2.436 8.340 2.912 1.00 0.00 H new ATOM 623 N HIS A 549 0.438 4.048 2.643 1.00 0.00 N ATOM 624 CA HIS A 549 0.913 2.704 2.920 1.00 0.00 C ATOM 625 C HIS A 549 0.039 2.010 3.962 1.00 0.00 C ATOM 626 O HIS A 549 0.176 0.811 4.196 1.00 0.00 O ATOM 627 CB HIS A 549 2.357 2.759 3.416 1.00 0.00 C ATOM 628 CG HIS A 549 2.544 3.642 4.612 1.00 0.00 C ATOM 629 ND1 HIS A 549 3.702 3.663 5.361 1.00 0.00 N ATOM 630 CD2 HIS A 549 1.711 4.543 5.188 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.572 4.535 6.345 1.00 0.00 C ATOM 632 NE2 HIS A 549 2.375 5.083 6.261 1.00 0.00 N ATOM 0 H HIS A 549 1.120 4.781 2.837 1.00 0.00 H new ATOM 0 HA HIS A 549 0.861 2.130 1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 549 2.686 1.750 3.664 1.00 0.00 H new ATOM 0 HB3 HIS A 549 2.997 3.114 2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 549 0.711 4.790 4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 549 4.319 4.761 7.092 1.00 0.00 H new ATOM 0 HE2 HIS A 549 2.003 5.793 6.892 1.00 0.00 H new ATOM 641 N ASN A 550 -0.837 2.772 4.612 1.00 0.00 N ATOM 642 CA ASN A 550 -1.694 2.215 5.648 1.00 0.00 C ATOM 643 C ASN A 550 -3.062 1.792 5.122 1.00 0.00 C ATOM 644 O ASN A 550 -3.633 0.817 5.605 1.00 0.00 O ATOM 645 CB ASN A 550 -1.856 3.226 6.783 1.00 0.00 C ATOM 646 CG ASN A 550 -2.725 2.704 7.911 1.00 0.00 C ATOM 647 OD1 ASN A 550 -2.732 1.508 8.202 1.00 0.00 O ATOM 648 ND2 ASN A 550 -3.466 3.600 8.553 1.00 0.00 N ATOM 0 H ASN A 550 -0.970 3.769 4.440 1.00 0.00 H new ATOM 0 HA ASN A 550 -1.207 1.313 6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -0.873 3.485 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.293 4.143 6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -4.071 3.306 9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -3.430 4.582 8.279 1.00 0.00 H new ATOM 655 N GLN A 551 -3.587 2.522 4.147 1.00 0.00 N ATOM 656 CA GLN A 551 -4.893 2.193 3.583 1.00 0.00 C ATOM 657 C GLN A 551 -4.847 0.833 2.893 1.00 0.00 C ATOM 658 O GLN A 551 -4.889 0.740 1.666 1.00 0.00 O ATOM 659 CB GLN A 551 -5.351 3.273 2.599 1.00 0.00 C ATOM 660 CG GLN A 551 -4.268 3.720 1.635 1.00 0.00 C ATOM 661 CD GLN A 551 -4.831 4.282 0.346 1.00 0.00 C ATOM 662 OE1 GLN A 551 -4.320 4.008 -0.740 1.00 0.00 O ATOM 663 NE2 GLN A 551 -5.891 5.075 0.457 1.00 0.00 N ATOM 0 H GLN A 551 -3.136 3.338 3.733 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.614 2.148 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -6.200 2.896 2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.704 4.138 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.648 4.476 2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.619 2.875 1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -6.283 5.276 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -6.313 5.483 -0.378 1.00 0.00 H new ATOM 672 N ASP A 552 -4.745 -0.218 3.699 1.00 0.00 N ATOM 673 CA ASP A 552 -4.675 -1.582 3.192 1.00 0.00 C ATOM 674 C ASP A 552 -6.013 -2.295 3.322 1.00 0.00 C ATOM 675 O ASP A 552 -6.065 -3.522 3.347 1.00 0.00 O ATOM 676 CB ASP A 552 -3.601 -2.366 3.946 1.00 0.00 C ATOM 677 CG ASP A 552 -3.894 -2.468 5.431 1.00 0.00 C ATOM 678 OD1 ASP A 552 -4.928 -3.069 5.791 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.089 -1.949 6.232 1.00 0.00 O ATOM 0 H ASP A 552 -4.709 -0.149 4.716 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.418 -1.530 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -3.523 -3.368 3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.634 -1.884 3.802 1.00 0.00 H new ATOM 684 N GLY A 553 -7.088 -1.524 3.419 1.00 0.00 N ATOM 685 CA GLY A 553 -8.409 -2.102 3.563 1.00 0.00 C ATOM 686 C GLY A 553 -9.106 -1.588 4.803 1.00 0.00 C ATOM 687 O GLY A 553 -10.326 -1.440 4.827 1.00 0.00 O ATOM 0 H GLY A 553 -7.068 -0.504 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -9.008 -1.867 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.329 -3.188 3.613 1.00 0.00 H new ATOM 691 N LEU A 554 -8.318 -1.294 5.829 1.00 0.00 N ATOM 692 CA LEU A 554 -8.850 -0.766 7.078 1.00 0.00 C ATOM 693 C LEU A 554 -9.511 0.578 6.824 1.00 0.00 C ATOM 694 O LEU A 554 -10.639 0.829 7.245 1.00 0.00 O ATOM 695 CB LEU A 554 -7.723 -0.587 8.092 1.00 0.00 C ATOM 696 CG LEU A 554 -6.690 -1.719 8.122 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.308 -1.194 7.766 1.00 0.00 C ATOM 698 CD2 LEU A 554 -6.670 -2.389 9.489 1.00 0.00 C ATOM 0 H LEU A 554 -7.305 -1.413 5.820 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.584 -1.468 7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.207 0.349 7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.161 -0.489 9.085 1.00 0.00 H new ATOM 0 HG LEU A 554 -6.976 -2.462 7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -4.589 -2.013 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.329 -0.763 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.013 -0.429 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -5.931 -3.190 9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -6.410 -1.654 10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -7.655 -2.804 9.705 1.00 0.00 H new ATOM 710 N ILE A 555 -8.779 1.434 6.127 1.00 0.00 N ATOM 711 CA ILE A 555 -9.243 2.762 5.790 1.00 0.00 C ATOM 712 C ILE A 555 -10.009 2.746 4.469 1.00 0.00 C ATOM 713 O ILE A 555 -9.625 3.400 3.499 1.00 0.00 O ATOM 714 CB ILE A 555 -8.040 3.717 5.692 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.300 3.797 7.033 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.470 5.100 5.229 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.209 3.754 8.246 1.00 0.00 C ATOM 0 H ILE A 555 -7.844 1.222 5.780 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.918 3.108 6.572 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.355 3.315 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.591 2.971 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.719 4.719 7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.598 5.751 5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.935 5.026 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.185 5.515 5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.608 3.815 9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.901 4.595 8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.772 2.821 8.246 1.00 0.00 H new ATOM 729 N CYS A 556 -11.093 1.983 4.446 1.00 0.00 N ATOM 730 CA CYS A 556 -11.928 1.860 3.254 1.00 0.00 C ATOM 731 C CYS A 556 -12.402 3.226 2.763 1.00 0.00 C ATOM 732 O CYS A 556 -12.786 3.376 1.605 1.00 0.00 O ATOM 733 CB CYS A 556 -13.134 0.965 3.541 1.00 0.00 C ATOM 734 SG CYS A 556 -12.773 -0.820 3.467 1.00 0.00 S ATOM 0 H CYS A 556 -11.418 1.436 5.243 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.321 1.408 2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.523 1.205 4.530 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.922 1.195 2.824 1.00 0.00 H new ATOM 739 N GLY A 557 -12.376 4.221 3.650 1.00 0.00 N ATOM 740 CA GLY A 557 -12.810 5.561 3.284 1.00 0.00 C ATOM 741 C GLY A 557 -12.203 6.046 1.978 1.00 0.00 C ATOM 742 O GLY A 557 -12.770 6.909 1.308 1.00 0.00 O ATOM 0 H GLY A 557 -12.062 4.123 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -13.897 5.575 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.543 6.254 4.082 1.00 0.00 H new ATOM 746 N LEU A 558 -11.049 5.492 1.615 1.00 0.00 N ATOM 747 CA LEU A 558 -10.369 5.876 0.382 1.00 0.00 C ATOM 748 C LEU A 558 -11.304 5.781 -0.821 1.00 0.00 C ATOM 749 O LEU A 558 -11.345 6.678 -1.662 1.00 0.00 O ATOM 750 CB LEU A 558 -9.146 4.985 0.156 1.00 0.00 C ATOM 751 CG LEU A 558 -9.436 3.482 0.144 1.00 0.00 C ATOM 752 CD1 LEU A 558 -9.788 3.015 -1.261 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.243 2.708 0.685 1.00 0.00 C ATOM 0 H LEU A 558 -10.566 4.776 2.157 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.050 6.913 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -8.686 5.259 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.414 5.193 0.937 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.293 3.290 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.991 1.944 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.672 3.548 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -8.953 3.218 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.465 1.641 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.369 2.906 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.039 3.022 1.709 1.00 0.00 H new ATOM 765 N ARG A 559 -12.050 4.685 -0.893 1.00 0.00 N ATOM 766 CA ARG A 559 -12.985 4.465 -1.991 1.00 0.00 C ATOM 767 C ARG A 559 -12.255 4.457 -3.330 1.00 0.00 C ATOM 768 O ARG A 559 -11.079 4.813 -3.410 1.00 0.00 O ATOM 769 CB ARG A 559 -14.071 5.543 -1.995 1.00 0.00 C ATOM 770 CG ARG A 559 -15.242 5.233 -1.077 1.00 0.00 C ATOM 771 CD ARG A 559 -14.841 5.324 0.386 1.00 0.00 C ATOM 772 NE ARG A 559 -15.756 4.585 1.254 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.810 5.127 1.862 1.00 0.00 C ATOM 774 NH1 ARG A 559 -17.103 6.411 1.689 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.579 4.379 2.641 1.00 0.00 N ATOM 0 H ARG A 559 -12.026 3.934 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.454 3.492 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -13.628 6.493 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -14.442 5.669 -3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.056 5.930 -1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -15.619 4.233 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -13.831 4.934 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.818 6.370 0.691 1.00 0.00 H new ATOM 0 HE ARG A 559 -15.576 3.592 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -16.519 6.991 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -17.912 6.817 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -17.363 3.391 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -18.387 4.792 3.108 1.00 0.00 H new ATOM 789 N GLN A 560 -12.959 4.047 -4.381 1.00 0.00 N ATOM 790 CA GLN A 560 -12.378 3.992 -5.718 1.00 0.00 C ATOM 791 C GLN A 560 -11.217 3.004 -5.765 1.00 0.00 C ATOM 792 O GLN A 560 -11.189 2.085 -4.919 1.00 0.00 O ATOM 793 CB GLN A 560 -11.897 5.381 -6.148 1.00 0.00 C ATOM 794 CG GLN A 560 -12.880 6.492 -5.822 1.00 0.00 C ATOM 795 CD GLN A 560 -12.438 7.332 -4.639 1.00 0.00 C ATOM 796 OE1 GLN A 560 -13.389 7.704 -3.788 1.00 0.00 O flip ATOM 797 NE2 GLN A 560 -11.257 7.645 -4.492 1.00 0.00 N flip ATOM 798 OXT GLN A 560 -10.347 3.156 -6.648 1.00 0.00 O ATOM 0 H GLN A 560 -13.933 3.748 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 560 -13.151 3.653 -6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -10.946 5.594 -5.660 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -11.711 5.376 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.000 7.134 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.857 6.057 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -10.560 7.337 -5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -10.975 8.212 -3.692 1.00 0.00 H new TER 807 GLN A 560