USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=9 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= -5.97! C(o=-5.2!,f=-10!) USER MOD Set 1.2: A 550 ASN :FLIP amide:sc= 0.744 F(o=-9.3,f=-5.2) USER MOD Single : A 508 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.8!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN :FLIP amide:sc= -1.12 F(o=-3.7,f=-1.1) USER MOD Single : A 514 ASN : amide:sc= -0.595 X(o=-0.6,f=-0.29) USER MOD Single : A 516 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -106:sc= 0.912 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 -151:sc= -6.26! (180deg=-9.51!) USER MOD Single : A 549 HIS : no HD1:sc= -5.56! C(o=-5.6!,f=-5.7!) USER MOD Single : A 551 GLN : amide:sc= -1.26 K(o=-1.3,f=-7.5!) USER MOD Single : A 560 GLN :FLIP amide:sc= -3.25! C(o=-5.5!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -10.693 -11.777 -0.199 1.00 0.00 N ATOM 2 CA ALA A 507 -11.255 -10.653 0.593 1.00 0.00 C ATOM 3 C ALA A 507 -10.445 -10.423 1.864 1.00 0.00 C ATOM 4 O ALA A 507 -9.539 -11.194 2.183 1.00 0.00 O ATOM 5 CB ALA A 507 -12.711 -10.929 0.938 1.00 0.00 C ATOM 0 HA ALA A 507 -11.201 -9.748 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.111 -10.098 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.288 -11.041 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -12.779 -11.846 1.523 1.00 0.00 H new ATOM 13 N GLN A 508 -10.774 -9.356 2.587 1.00 0.00 N ATOM 14 CA GLN A 508 -10.073 -9.026 3.823 1.00 0.00 C ATOM 15 C GLN A 508 -10.781 -7.895 4.570 1.00 0.00 C ATOM 16 O GLN A 508 -10.995 -6.815 4.019 1.00 0.00 O ATOM 17 CB GLN A 508 -8.626 -8.632 3.527 1.00 0.00 C ATOM 18 CG GLN A 508 -8.463 -7.794 2.267 1.00 0.00 C ATOM 19 CD GLN A 508 -7.040 -7.800 1.743 1.00 0.00 C ATOM 20 OE1 GLN A 508 -6.162 -8.453 2.306 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.806 -7.072 0.658 1.00 0.00 N ATOM 0 H GLN A 508 -11.520 -8.707 2.338 1.00 0.00 H new ATOM 0 HA GLN A 508 -10.077 -9.912 4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.230 -8.075 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.025 -9.536 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.132 -8.172 1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.765 -6.768 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.564 -6.546 0.224 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.868 -7.039 0.259 1.00 0.00 H new ATOM 30 N PRO A 509 -11.169 -8.135 5.835 1.00 0.00 N ATOM 31 CA PRO A 509 -11.868 -7.157 6.663 1.00 0.00 C ATOM 32 C PRO A 509 -10.926 -6.355 7.557 1.00 0.00 C ATOM 33 O PRO A 509 -10.456 -6.843 8.585 1.00 0.00 O ATOM 34 CB PRO A 509 -12.733 -8.066 7.511 1.00 0.00 C ATOM 35 CG PRO A 509 -11.807 -9.184 7.824 1.00 0.00 C ATOM 36 CD PRO A 509 -10.979 -9.397 6.575 1.00 0.00 C ATOM 0 HA PRO A 509 -12.398 -6.405 6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.086 -7.566 8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.615 -8.408 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -11.173 -8.939 8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.359 -10.087 8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -9.930 -9.573 6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -11.325 -10.257 6.002 1.00 0.00 H new ATOM 44 N LYS A 510 -10.668 -5.126 7.161 1.00 0.00 N ATOM 45 CA LYS A 510 -9.793 -4.235 7.922 1.00 0.00 C ATOM 46 C LYS A 510 -10.219 -2.786 7.746 1.00 0.00 C ATOM 47 O LYS A 510 -10.346 -2.032 8.712 1.00 0.00 O ATOM 48 CB LYS A 510 -8.338 -4.410 7.481 1.00 0.00 C ATOM 49 CG LYS A 510 -7.599 -5.501 8.238 1.00 0.00 C ATOM 50 CD LYS A 510 -6.582 -6.202 7.351 1.00 0.00 C ATOM 51 CE LYS A 510 -5.507 -5.242 6.871 1.00 0.00 C ATOM 52 NZ LYS A 510 -4.409 -5.092 7.866 1.00 0.00 N ATOM 0 H LYS A 510 -11.051 -4.712 6.311 1.00 0.00 H new ATOM 0 HA LYS A 510 -9.875 -4.497 8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.315 -4.640 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -7.811 -3.466 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.094 -5.068 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.314 -6.230 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.120 -7.021 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -7.089 -6.642 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -5.095 -5.601 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -5.953 -4.267 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -3.697 -4.429 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -4.797 -4.725 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -3.966 -6.017 8.036 1.00 0.00 H new ATOM 66 N CYS A 511 -10.442 -2.417 6.497 1.00 0.00 N ATOM 67 CA CYS A 511 -10.865 -1.072 6.134 1.00 0.00 C ATOM 68 C CYS A 511 -9.726 -0.075 6.264 1.00 0.00 C ATOM 69 O CYS A 511 -9.903 1.029 6.778 1.00 0.00 O ATOM 70 CB CYS A 511 -12.068 -0.630 6.967 1.00 0.00 C ATOM 71 SG CYS A 511 -13.612 -0.494 6.007 1.00 0.00 S ATOM 0 H CYS A 511 -10.335 -3.044 5.700 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.166 -1.098 5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.217 -1.341 7.780 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.848 0.335 7.424 1.00 0.00 H new ATOM 76 N ASN A 512 -8.561 -0.463 5.768 1.00 0.00 N ATOM 77 CA ASN A 512 -7.398 0.408 5.802 1.00 0.00 C ATOM 78 C ASN A 512 -6.685 0.447 4.444 1.00 0.00 C ATOM 79 O ASN A 512 -5.456 0.499 4.385 1.00 0.00 O ATOM 80 CB ASN A 512 -6.428 -0.040 6.901 1.00 0.00 C ATOM 81 CG ASN A 512 -5.189 0.840 7.002 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.290 2.086 6.543 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -4.148 0.401 7.491 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.397 -1.373 5.338 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.744 1.417 6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.948 -0.036 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.121 -1.068 6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.110 -0.560 7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -3.323 0.998 7.555 1.00 0.00 H new ATOM 90 N PRO A 513 -7.441 0.420 3.326 1.00 0.00 N ATOM 91 CA PRO A 513 -6.861 0.451 1.983 1.00 0.00 C ATOM 92 C PRO A 513 -6.531 1.876 1.510 1.00 0.00 C ATOM 93 O PRO A 513 -5.522 2.449 1.923 1.00 0.00 O ATOM 94 CB PRO A 513 -7.970 -0.168 1.140 1.00 0.00 C ATOM 95 CG PRO A 513 -9.217 0.316 1.795 1.00 0.00 C ATOM 96 CD PRO A 513 -8.916 0.349 3.272 1.00 0.00 C ATOM 0 HA PRO A 513 -5.907 -0.073 1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -7.912 0.155 0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -7.914 -1.257 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.493 1.305 1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.055 -0.348 1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.377 1.210 3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.293 -0.540 3.778 1.00 0.00 H new ATOM 104 N ASN A 514 -7.369 2.439 0.633 1.00 0.00 N ATOM 105 CA ASN A 514 -7.138 3.777 0.106 1.00 0.00 C ATOM 106 C ASN A 514 -7.589 4.861 1.085 1.00 0.00 C ATOM 107 O ASN A 514 -7.555 6.048 0.765 1.00 0.00 O ATOM 108 CB ASN A 514 -7.853 3.937 -1.239 1.00 0.00 C ATOM 109 CG ASN A 514 -9.319 4.310 -1.094 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.668 5.488 -1.037 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.184 3.304 -1.030 1.00 0.00 N ATOM 0 H ASN A 514 -8.210 1.985 0.277 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.065 3.900 -0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.345 4.704 -1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.775 3.005 -1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.181 3.494 -0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.851 2.341 -1.081 1.00 0.00 H new ATOM 118 N LEU A 515 -8.003 4.457 2.280 1.00 0.00 N ATOM 119 CA LEU A 515 -8.439 5.409 3.288 1.00 0.00 C ATOM 120 C LEU A 515 -7.313 5.662 4.282 1.00 0.00 C ATOM 121 O LEU A 515 -7.534 5.769 5.487 1.00 0.00 O ATOM 122 CB LEU A 515 -9.693 4.891 3.993 1.00 0.00 C ATOM 123 CG LEU A 515 -10.899 4.672 3.071 1.00 0.00 C ATOM 124 CD1 LEU A 515 -11.074 5.857 2.132 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.737 3.382 2.276 1.00 0.00 C ATOM 0 H LEU A 515 -8.045 3.480 2.572 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.689 6.355 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.454 3.949 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.973 5.598 4.774 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.793 4.586 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.934 5.685 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.235 6.763 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.178 5.973 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.602 3.243 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.834 3.440 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.659 2.539 2.962 1.00 0.00 H new ATOM 137 N HIS A 516 -6.100 5.753 3.742 1.00 0.00 N ATOM 138 CA HIS A 516 -4.899 5.991 4.534 1.00 0.00 C ATOM 139 C HIS A 516 -3.660 5.939 3.643 1.00 0.00 C ATOM 140 O HIS A 516 -2.667 6.615 3.906 1.00 0.00 O ATOM 141 CB HIS A 516 -4.777 4.957 5.656 1.00 0.00 C ATOM 142 CG HIS A 516 -4.260 5.526 6.941 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.816 5.238 8.170 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.232 6.374 7.186 1.00 0.00 C ATOM 145 CE1 HIS A 516 -4.154 5.884 9.114 1.00 0.00 C ATOM 146 NE2 HIS A 516 -3.188 6.579 8.543 1.00 0.00 N ATOM 0 H HIS A 516 -5.923 5.663 2.741 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.976 6.982 4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.755 4.509 5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -4.114 4.156 5.330 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.570 6.808 6.451 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -4.367 5.849 10.172 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -2.517 7.173 9.031 1.00 0.00 H new ATOM 155 N TYR A 517 -3.732 5.126 2.586 1.00 0.00 N ATOM 156 CA TYR A 517 -2.627 4.964 1.639 1.00 0.00 C ATOM 157 C TYR A 517 -1.921 6.295 1.357 1.00 0.00 C ATOM 158 O TYR A 517 -0.693 6.357 1.297 1.00 0.00 O ATOM 159 CB TYR A 517 -3.147 4.332 0.337 1.00 0.00 C ATOM 160 CG TYR A 517 -3.877 5.294 -0.581 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.989 6.000 -0.140 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.457 5.489 -1.891 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.661 6.873 -0.975 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.122 6.360 -2.733 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.224 7.049 -2.270 1.00 0.00 C ATOM 166 OH TYR A 517 -5.888 7.917 -3.105 1.00 0.00 O ATOM 0 H TYR A 517 -4.554 4.564 2.364 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.888 4.300 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.305 3.901 -0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.818 3.511 0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.335 5.864 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.596 4.950 -2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.523 7.414 -0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.781 6.501 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.451 7.926 -3.982 1.00 0.00 H new ATOM 176 N TRP A 518 -2.706 7.355 1.205 1.00 0.00 N ATOM 177 CA TRP A 518 -2.168 8.689 0.951 1.00 0.00 C ATOM 178 C TRP A 518 -1.360 9.173 2.149 1.00 0.00 C ATOM 179 O TRP A 518 -1.853 9.943 2.973 1.00 0.00 O ATOM 180 CB TRP A 518 -3.314 9.665 0.675 1.00 0.00 C ATOM 181 CG TRP A 518 -4.479 9.475 1.601 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.441 8.953 2.862 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.849 9.788 1.336 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.704 8.923 3.398 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.587 9.435 2.481 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.521 10.337 0.243 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.966 9.611 2.561 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.891 10.513 0.323 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.600 10.152 1.475 1.00 0.00 C ATOM 0 H TRP A 518 -3.724 7.317 1.253 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.513 8.642 0.081 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.945 10.686 0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.650 9.541 -0.354 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.547 8.613 3.364 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.947 8.577 4.326 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.982 10.619 -0.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.515 9.331 3.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.422 10.936 -0.517 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.669 10.303 1.508 1.00 0.00 H new ATOM 200 N THR A 519 -0.122 8.707 2.255 1.00 0.00 N ATOM 201 CA THR A 519 0.736 9.082 3.371 1.00 0.00 C ATOM 202 C THR A 519 2.163 8.604 3.144 1.00 0.00 C ATOM 203 O THR A 519 3.113 9.385 3.194 1.00 0.00 O ATOM 204 CB THR A 519 0.181 8.473 4.651 1.00 0.00 C ATOM 205 OG1 THR A 519 1.061 8.685 5.740 1.00 0.00 O ATOM 206 CG2 THR A 519 -0.067 6.986 4.534 1.00 0.00 C ATOM 0 H THR A 519 0.309 8.071 1.584 1.00 0.00 H new ATOM 0 HA THR A 519 0.754 10.169 3.454 1.00 0.00 H new ATOM 0 HB THR A 519 -0.771 8.975 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.681 8.286 6.550 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.462 6.608 5.477 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.787 6.799 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.869 6.478 4.303 1.00 0.00 H new ATOM 214 N THR A 520 2.295 7.312 2.883 1.00 0.00 N ATOM 215 CA THR A 520 3.586 6.701 2.624 1.00 0.00 C ATOM 216 C THR A 520 3.568 6.029 1.257 1.00 0.00 C ATOM 217 O THR A 520 4.584 5.518 0.788 1.00 0.00 O ATOM 218 CB THR A 520 3.927 5.683 3.715 1.00 0.00 C ATOM 219 OG1 THR A 520 5.249 5.201 3.555 1.00 0.00 O ATOM 220 CG2 THR A 520 3.000 4.486 3.733 1.00 0.00 C ATOM 0 H THR A 520 1.511 6.661 2.845 1.00 0.00 H new ATOM 0 HA THR A 520 4.353 7.476 2.631 1.00 0.00 H new ATOM 0 HB THR A 520 3.813 6.222 4.656 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.223 4.283 3.213 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.300 3.806 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 520 1.977 4.820 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.055 3.969 2.775 1.00 0.00 H new ATOM 228 N GLN A 521 2.396 6.039 0.617 1.00 0.00 N ATOM 229 CA GLN A 521 2.237 5.443 -0.691 1.00 0.00 C ATOM 230 C GLN A 521 2.357 6.516 -1.771 1.00 0.00 C ATOM 231 O GLN A 521 2.939 6.300 -2.831 1.00 0.00 O ATOM 232 CB GLN A 521 0.890 4.713 -0.779 1.00 0.00 C ATOM 233 CG GLN A 521 -0.254 5.577 -1.281 1.00 0.00 C ATOM 234 CD GLN A 521 -0.291 5.668 -2.791 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.217 4.657 -3.487 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.407 6.883 -3.303 1.00 0.00 N ATOM 0 H GLN A 521 1.546 6.458 0.994 1.00 0.00 H new ATOM 0 HA GLN A 521 3.028 4.710 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 521 0.998 3.853 -1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.633 4.327 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.199 5.169 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.160 6.579 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.465 7.693 -2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.438 7.009 -4.315 1.00 0.00 H new ATOM 245 N ASP A 522 1.822 7.683 -1.467 1.00 0.00 N ATOM 246 CA ASP A 522 1.877 8.821 -2.381 1.00 0.00 C ATOM 247 C ASP A 522 3.140 9.639 -2.135 1.00 0.00 C ATOM 248 O ASP A 522 3.358 10.682 -2.750 1.00 0.00 O ATOM 249 CB ASP A 522 0.644 9.704 -2.203 1.00 0.00 C ATOM 250 CG ASP A 522 -0.064 9.981 -3.514 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.511 10.696 -4.361 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.196 9.482 -3.695 1.00 0.00 O ATOM 0 H ASP A 522 1.340 7.874 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 522 1.896 8.442 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.049 9.221 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.940 10.649 -1.747 1.00 0.00 H new ATOM 257 N GLU A 523 3.962 9.142 -1.225 1.00 0.00 N ATOM 258 CA GLU A 523 5.214 9.786 -0.859 1.00 0.00 C ATOM 259 C GLU A 523 6.319 8.743 -0.776 1.00 0.00 C ATOM 260 O GLU A 523 7.499 9.047 -0.945 1.00 0.00 O ATOM 261 CB GLU A 523 5.056 10.510 0.478 1.00 0.00 C ATOM 262 CG GLU A 523 3.628 10.960 0.748 1.00 0.00 C ATOM 263 CD GLU A 523 3.557 12.158 1.675 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.757 13.294 1.193 1.00 0.00 O ATOM 265 OE2 GLU A 523 3.301 11.962 2.882 1.00 0.00 O ATOM 0 H GLU A 523 3.779 8.277 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 523 5.481 10.520 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.381 9.850 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.714 11.379 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 523 3.145 11.208 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 523 3.068 10.134 1.185 1.00 0.00 H new ATOM 272 N GLY A 524 5.909 7.502 -0.533 1.00 0.00 N ATOM 273 CA GLY A 524 6.843 6.405 -0.451 1.00 0.00 C ATOM 274 C GLY A 524 6.589 5.381 -1.541 1.00 0.00 C ATOM 275 O GLY A 524 7.508 4.694 -1.984 1.00 0.00 O ATOM 0 H GLY A 524 4.934 7.240 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.861 6.785 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.761 5.928 0.525 1.00 0.00 H new ATOM 279 N ALA A 525 5.335 5.291 -1.984 1.00 0.00 N ATOM 280 CA ALA A 525 4.963 4.357 -3.039 1.00 0.00 C ATOM 281 C ALA A 525 4.778 5.088 -4.363 1.00 0.00 C ATOM 282 O ALA A 525 4.092 4.609 -5.267 1.00 0.00 O ATOM 283 CB ALA A 525 3.696 3.603 -2.655 1.00 0.00 C ATOM 0 H ALA A 525 4.563 5.854 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 525 5.769 3.634 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.430 2.909 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 525 3.868 3.048 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 525 2.882 4.312 -2.505 1.00 0.00 H new ATOM 289 N ALA A 526 5.393 6.259 -4.456 1.00 0.00 N ATOM 290 CA ALA A 526 5.307 7.089 -5.653 1.00 0.00 C ATOM 291 C ALA A 526 6.641 7.757 -5.988 1.00 0.00 C ATOM 292 O ALA A 526 6.761 8.442 -7.004 1.00 0.00 O ATOM 293 CB ALA A 526 4.234 8.146 -5.468 1.00 0.00 C ATOM 0 H ALA A 526 5.962 6.660 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 526 5.048 6.437 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.173 8.764 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.273 7.662 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.484 8.773 -4.612 1.00 0.00 H new ATOM 299 N ILE A 527 7.635 7.571 -5.127 1.00 0.00 N ATOM 300 CA ILE A 527 8.948 8.171 -5.328 1.00 0.00 C ATOM 301 C ILE A 527 10.059 7.232 -4.860 1.00 0.00 C ATOM 302 O ILE A 527 11.132 7.181 -5.460 1.00 0.00 O ATOM 303 CB ILE A 527 9.074 9.517 -4.577 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.954 9.662 -3.532 1.00 0.00 C ATOM 305 CG2 ILE A 527 9.061 10.680 -5.562 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.696 10.336 -4.049 1.00 0.00 C ATOM 0 H ILE A 527 7.556 7.008 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 527 9.054 8.350 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 527 10.028 9.532 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.693 8.672 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 527 8.336 10.233 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 527 9.150 11.620 -5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.898 10.581 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 527 8.125 10.673 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.960 10.397 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.938 11.341 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.286 9.756 -4.875 1.00 0.00 H new ATOM 318 N GLY A 528 9.796 6.496 -3.783 1.00 0.00 N ATOM 319 CA GLY A 528 10.785 5.575 -3.256 1.00 0.00 C ATOM 320 C GLY A 528 11.038 4.399 -4.174 1.00 0.00 C ATOM 321 O GLY A 528 11.211 4.573 -5.381 1.00 0.00 O ATOM 0 H GLY A 528 8.916 6.522 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.721 6.109 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.452 5.208 -2.285 1.00 0.00 H new ATOM 325 N LEU A 529 11.077 3.197 -3.606 1.00 0.00 N ATOM 326 CA LEU A 529 11.331 1.997 -4.394 1.00 0.00 C ATOM 327 C LEU A 529 10.208 0.966 -4.261 1.00 0.00 C ATOM 328 O LEU A 529 10.369 -0.061 -3.600 1.00 0.00 O ATOM 329 CB LEU A 529 12.666 1.378 -3.983 1.00 0.00 C ATOM 330 CG LEU A 529 13.887 1.905 -4.740 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.924 3.426 -4.702 1.00 0.00 C ATOM 332 CD2 LEU A 529 15.166 1.325 -4.157 1.00 0.00 C ATOM 0 H LEU A 529 10.937 3.029 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 529 11.371 2.296 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.816 1.551 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.608 0.299 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 529 13.809 1.590 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.799 3.782 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 529 13.022 3.824 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 529 13.978 3.763 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 529 16.024 1.710 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 529 15.250 1.610 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 529 15.142 0.238 -4.237 1.00 0.00 H new ATOM 344 N ALA A 530 9.086 1.236 -4.921 1.00 0.00 N ATOM 345 CA ALA A 530 7.941 0.325 -4.915 1.00 0.00 C ATOM 346 C ALA A 530 7.878 -0.426 -6.240 1.00 0.00 C ATOM 347 O ALA A 530 7.461 -1.582 -6.310 1.00 0.00 O ATOM 348 CB ALA A 530 6.650 1.097 -4.690 1.00 0.00 C ATOM 0 H ALA A 530 8.943 2.083 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 530 8.062 -0.390 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.808 0.405 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.697 1.613 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.518 1.827 -5.489 1.00 0.00 H new ATOM 354 N TRP A 531 8.316 0.265 -7.281 1.00 0.00 N ATOM 355 CA TRP A 531 8.353 -0.267 -8.642 1.00 0.00 C ATOM 356 C TRP A 531 9.455 -1.313 -8.780 1.00 0.00 C ATOM 357 O TRP A 531 9.492 -2.070 -9.751 1.00 0.00 O ATOM 358 CB TRP A 531 8.631 0.882 -9.619 1.00 0.00 C ATOM 359 CG TRP A 531 9.405 1.990 -8.978 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.683 1.925 -8.506 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.934 3.309 -8.690 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.038 3.124 -7.942 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.982 3.996 -8.050 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.727 3.977 -8.916 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.857 5.319 -7.632 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.604 5.288 -8.503 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.663 5.949 -7.868 1.00 0.00 C ATOM 0 H TRP A 531 8.661 1.222 -7.208 1.00 0.00 H new ATOM 0 HA TRP A 531 7.394 -0.734 -8.864 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.186 0.502 -10.477 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.686 1.272 -9.998 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.322 1.057 -8.567 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.939 3.334 -7.513 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.905 3.476 -9.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.671 5.830 -7.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.676 5.813 -8.672 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.536 6.976 -7.558 1.00 0.00 H new ATOM 378 N ILE A 532 10.364 -1.329 -7.810 1.00 0.00 N ATOM 379 CA ILE A 532 11.486 -2.251 -7.813 1.00 0.00 C ATOM 380 C ILE A 532 11.339 -3.310 -6.717 1.00 0.00 C ATOM 381 O ILE A 532 11.707 -3.077 -5.566 1.00 0.00 O ATOM 382 CB ILE A 532 12.795 -1.463 -7.610 1.00 0.00 C ATOM 383 CG1 ILE A 532 13.988 -2.392 -7.394 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.652 -0.501 -6.437 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.278 -1.634 -7.196 1.00 0.00 C ATOM 0 H ILE A 532 10.341 -0.704 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 532 11.508 -2.765 -8.774 1.00 0.00 H new ATOM 0 HB ILE A 532 12.984 -0.893 -8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 532 13.802 -3.021 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.088 -3.056 -8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.583 0.050 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.841 0.199 -6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.430 -1.063 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.095 -2.340 -7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 532 15.481 -1.025 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 532 15.191 -0.989 -6.321 1.00 0.00 H new ATOM 397 N PRO A 533 10.794 -4.492 -7.064 1.00 0.00 N ATOM 398 CA PRO A 533 10.597 -5.586 -6.106 1.00 0.00 C ATOM 399 C PRO A 533 11.917 -6.132 -5.573 1.00 0.00 C ATOM 400 O PRO A 533 12.521 -7.021 -6.174 1.00 0.00 O ATOM 401 CB PRO A 533 9.867 -6.665 -6.919 1.00 0.00 C ATOM 402 CG PRO A 533 9.357 -5.968 -8.135 1.00 0.00 C ATOM 403 CD PRO A 533 10.325 -4.856 -8.409 1.00 0.00 C ATOM 0 HA PRO A 533 10.044 -5.253 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.541 -7.479 -7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 533 9.050 -7.103 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 533 9.299 -6.652 -8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 533 8.352 -5.579 -7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.145 -5.182 -9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.844 -4.016 -8.911 1.00 0.00 H new ATOM 411 N TYR A 534 12.362 -5.594 -4.443 1.00 0.00 N ATOM 412 CA TYR A 534 13.608 -6.023 -3.830 1.00 0.00 C ATOM 413 C TYR A 534 13.375 -6.501 -2.399 1.00 0.00 C ATOM 414 O TYR A 534 13.902 -7.534 -1.985 1.00 0.00 O ATOM 415 CB TYR A 534 14.618 -4.873 -3.844 1.00 0.00 C ATOM 416 CG TYR A 534 15.913 -5.185 -3.130 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.364 -6.491 -3.007 1.00 0.00 C ATOM 418 CD2 TYR A 534 16.682 -4.168 -2.580 1.00 0.00 C ATOM 419 CE1 TYR A 534 17.549 -6.778 -2.355 1.00 0.00 C ATOM 420 CE2 TYR A 534 17.867 -4.445 -1.927 1.00 0.00 C ATOM 421 CZ TYR A 534 18.297 -5.751 -1.817 1.00 0.00 C ATOM 422 OH TYR A 534 19.478 -6.031 -1.167 1.00 0.00 O ATOM 0 H TYR A 534 11.874 -4.857 -3.933 1.00 0.00 H new ATOM 0 HA TYR A 534 14.006 -6.858 -4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 534 14.839 -4.610 -4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.162 -3.997 -3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 534 15.780 -7.297 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.348 -3.144 -2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.887 -7.800 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 534 18.454 -3.643 -1.505 1.00 0.00 H new ATOM 0 HH TYR A 534 19.882 -5.197 -0.848 1.00 0.00 H new ATOM 432 N PHE A 535 12.586 -5.741 -1.648 1.00 0.00 N ATOM 433 CA PHE A 535 12.284 -6.083 -0.260 1.00 0.00 C ATOM 434 C PHE A 535 10.785 -6.275 -0.057 1.00 0.00 C ATOM 435 O PHE A 535 10.355 -7.180 0.659 1.00 0.00 O ATOM 436 CB PHE A 535 12.809 -4.998 0.688 1.00 0.00 C ATOM 437 CG PHE A 535 12.933 -3.640 0.052 1.00 0.00 C ATOM 438 CD1 PHE A 535 13.930 -3.384 -0.878 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.056 -2.621 0.383 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.047 -2.138 -1.465 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.167 -1.374 -0.199 1.00 0.00 C ATOM 442 CZ PHE A 535 13.164 -1.131 -1.124 1.00 0.00 C ATOM 0 H PHE A 535 12.143 -4.883 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 535 12.785 -7.024 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.142 -4.926 1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 535 13.785 -5.301 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 535 14.623 -4.168 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.275 -2.804 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 535 14.827 -1.952 -2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.475 -0.589 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 535 13.253 -0.156 -1.580 1.00 0.00 H new ATOM 452 N GLY A 536 9.991 -5.417 -0.690 1.00 0.00 N ATOM 453 CA GLY A 536 8.546 -5.510 -0.568 1.00 0.00 C ATOM 454 C GLY A 536 8.073 -5.432 0.876 1.00 0.00 C ATOM 455 O GLY A 536 8.143 -4.369 1.493 1.00 0.00 O ATOM 0 H GLY A 536 10.322 -4.658 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.084 -4.706 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.208 -6.449 -1.007 1.00 0.00 H new ATOM 459 N PRO A 537 7.581 -6.548 1.447 1.00 0.00 N ATOM 460 CA PRO A 537 7.096 -6.582 2.834 1.00 0.00 C ATOM 461 C PRO A 537 8.198 -6.284 3.848 1.00 0.00 C ATOM 462 O PRO A 537 7.922 -6.024 5.018 1.00 0.00 O ATOM 463 CB PRO A 537 6.584 -8.016 3.007 1.00 0.00 C ATOM 464 CG PRO A 537 7.273 -8.804 1.947 1.00 0.00 C ATOM 465 CD PRO A 537 7.459 -7.863 0.791 1.00 0.00 C ATOM 0 HA PRO A 537 6.335 -5.822 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 537 6.818 -8.401 4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 537 5.501 -8.064 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 537 8.232 -9.181 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 537 6.678 -9.669 1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 537 8.349 -8.108 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 537 6.612 -7.894 0.105 1.00 0.00 H new ATOM 473 N ALA A 538 9.445 -6.319 3.393 1.00 0.00 N ATOM 474 CA ALA A 538 10.585 -6.047 4.259 1.00 0.00 C ATOM 475 C ALA A 538 10.607 -4.581 4.675 1.00 0.00 C ATOM 476 O ALA A 538 11.139 -4.229 5.728 1.00 0.00 O ATOM 477 CB ALA A 538 11.883 -6.424 3.559 1.00 0.00 C ATOM 0 H ALA A 538 9.692 -6.534 2.427 1.00 0.00 H new ATOM 0 HA ALA A 538 10.487 -6.655 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 538 12.726 -6.215 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 538 11.869 -7.486 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 538 11.985 -5.841 2.644 1.00 0.00 H new ATOM 483 N ALA A 539 10.014 -3.732 3.844 1.00 0.00 N ATOM 484 CA ALA A 539 9.947 -2.305 4.121 1.00 0.00 C ATOM 485 C ALA A 539 8.643 -1.952 4.829 1.00 0.00 C ATOM 486 O ALA A 539 8.459 -0.832 5.305 1.00 0.00 O ATOM 487 CB ALA A 539 10.056 -1.518 2.831 1.00 0.00 C ATOM 0 H ALA A 539 9.571 -4.011 2.969 1.00 0.00 H new ATOM 0 HA ALA A 539 10.780 -2.045 4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.005 -0.451 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.006 -1.744 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.236 -1.792 2.167 1.00 0.00 H new ATOM 493 N GLU A 540 7.737 -2.920 4.863 1.00 0.00 N ATOM 494 CA GLU A 540 6.426 -2.754 5.473 1.00 0.00 C ATOM 495 C GLU A 540 6.466 -1.970 6.790 1.00 0.00 C ATOM 496 O GLU A 540 6.889 -2.480 7.827 1.00 0.00 O ATOM 497 CB GLU A 540 5.795 -4.134 5.671 1.00 0.00 C ATOM 498 CG GLU A 540 6.308 -4.890 6.887 1.00 0.00 C ATOM 499 CD GLU A 540 5.929 -6.358 6.864 1.00 0.00 C ATOM 500 OE1 GLU A 540 5.692 -6.891 5.760 1.00 0.00 O ATOM 501 OE2 GLU A 540 5.868 -6.974 7.949 1.00 0.00 O ATOM 0 H GLU A 540 7.892 -3.847 4.466 1.00 0.00 H new ATOM 0 HA GLU A 540 5.815 -2.155 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 540 4.715 -4.017 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.978 -4.735 4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.393 -4.800 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 540 5.909 -4.430 7.791 1.00 0.00 H new ATOM 508 N GLY A 541 5.992 -0.726 6.732 1.00 0.00 N ATOM 509 CA GLY A 541 5.938 0.117 7.911 1.00 0.00 C ATOM 510 C GLY A 541 7.031 1.163 7.975 1.00 0.00 C ATOM 511 O GLY A 541 7.011 2.029 8.849 1.00 0.00 O ATOM 0 H GLY A 541 5.642 -0.287 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.970 0.617 7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 541 6.001 -0.513 8.798 1.00 0.00 H new ATOM 515 N ILE A 542 7.991 1.089 7.066 1.00 0.00 N ATOM 516 CA ILE A 542 9.087 2.046 7.056 1.00 0.00 C ATOM 517 C ILE A 542 8.896 3.107 5.985 1.00 0.00 C ATOM 518 O ILE A 542 9.285 4.260 6.170 1.00 0.00 O ATOM 519 CB ILE A 542 10.441 1.351 6.841 1.00 0.00 C ATOM 520 CG1 ILE A 542 10.492 0.036 7.616 1.00 0.00 C ATOM 521 CG2 ILE A 542 11.581 2.267 7.262 1.00 0.00 C ATOM 522 CD1 ILE A 542 11.114 -1.088 6.831 1.00 0.00 C ATOM 0 H ILE A 542 8.034 0.383 6.331 1.00 0.00 H new ATOM 0 HA ILE A 542 9.085 2.527 8.034 1.00 0.00 H new ATOM 0 HB ILE A 542 10.554 1.129 5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 542 11.057 0.185 8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 542 9.480 -0.248 7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 542 12.533 1.760 7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 542 11.553 3.180 6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 542 11.475 2.518 8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 542 11.121 -1.994 7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.535 -1.262 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 542 12.137 -0.823 6.564 1.00 0.00 H new ATOM 534 N TYR A 543 8.295 2.722 4.862 1.00 0.00 N ATOM 535 CA TYR A 543 8.071 3.679 3.777 1.00 0.00 C ATOM 536 C TYR A 543 7.295 3.079 2.596 1.00 0.00 C ATOM 537 O TYR A 543 6.065 3.066 2.595 1.00 0.00 O ATOM 538 CB TYR A 543 9.405 4.274 3.284 1.00 0.00 C ATOM 539 CG TYR A 543 10.625 3.430 3.595 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.623 2.055 3.384 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.783 4.013 4.095 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.739 1.289 3.663 1.00 0.00 C ATOM 543 CE2 TYR A 543 12.902 3.253 4.375 1.00 0.00 C ATOM 544 CZ TYR A 543 12.875 1.892 4.158 1.00 0.00 C ATOM 545 OH TYR A 543 13.988 1.133 4.436 1.00 0.00 O ATOM 0 H TYR A 543 7.960 1.776 4.679 1.00 0.00 H new ATOM 0 HA TYR A 543 7.453 4.473 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.346 4.420 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.537 5.259 3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.735 1.578 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.809 5.079 4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.721 0.222 3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.794 3.723 4.762 1.00 0.00 H new ATOM 0 HH TYR A 543 14.702 1.712 4.776 1.00 0.00 H new ATOM 555 N ILE A 544 8.023 2.626 1.577 1.00 0.00 N ATOM 556 CA ILE A 544 7.414 2.075 0.371 1.00 0.00 C ATOM 557 C ILE A 544 6.787 0.708 0.602 1.00 0.00 C ATOM 558 O ILE A 544 5.715 0.416 0.078 1.00 0.00 O ATOM 559 CB ILE A 544 8.450 1.972 -0.760 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.365 3.199 -0.752 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.754 1.831 -2.102 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.756 2.912 -0.224 1.00 0.00 C ATOM 0 H ILE A 544 9.043 2.631 1.565 1.00 0.00 H new ATOM 0 HA ILE A 544 6.618 2.764 0.087 1.00 0.00 H new ATOM 0 HB ILE A 544 9.061 1.085 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.444 3.590 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.908 3.979 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.500 1.759 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.139 0.931 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 544 7.122 2.702 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.350 3.826 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.688 2.549 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.232 2.154 -0.846 1.00 0.00 H new ATOM 574 N GLU A 545 7.454 -0.131 1.379 1.00 0.00 N ATOM 575 CA GLU A 545 6.943 -1.465 1.666 1.00 0.00 C ATOM 576 C GLU A 545 6.726 -2.257 0.379 1.00 0.00 C ATOM 577 O GLU A 545 7.207 -1.874 -0.688 1.00 0.00 O ATOM 578 CB GLU A 545 5.627 -1.368 2.439 1.00 0.00 C ATOM 579 CG GLU A 545 5.572 -0.197 3.408 1.00 0.00 C ATOM 580 CD GLU A 545 4.192 0.001 4.005 1.00 0.00 C ATOM 581 OE1 GLU A 545 3.198 -0.133 3.260 1.00 0.00 O ATOM 582 OE2 GLU A 545 4.105 0.288 5.217 1.00 0.00 O ATOM 0 H GLU A 545 8.347 0.086 1.821 1.00 0.00 H new ATOM 0 HA GLU A 545 7.683 -1.987 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 545 4.805 -1.280 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 545 5.472 -2.294 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.291 -0.360 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 545 5.874 0.713 2.890 1.00 0.00 H new ATOM 589 N GLY A 546 5.991 -3.358 0.489 1.00 0.00 N ATOM 590 CA GLY A 546 5.709 -4.185 -0.668 1.00 0.00 C ATOM 591 C GLY A 546 4.252 -4.117 -1.072 1.00 0.00 C ATOM 592 O GLY A 546 3.604 -5.144 -1.270 1.00 0.00 O ATOM 0 H GLY A 546 5.584 -3.693 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.332 -3.865 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.977 -5.219 -0.449 1.00 0.00 H new ATOM 596 N LEU A 547 3.734 -2.898 -1.188 1.00 0.00 N ATOM 597 CA LEU A 547 2.340 -2.692 -1.564 1.00 0.00 C ATOM 598 C LEU A 547 2.147 -2.816 -3.078 1.00 0.00 C ATOM 599 O LEU A 547 1.586 -3.801 -3.557 1.00 0.00 O ATOM 600 CB LEU A 547 1.845 -1.328 -1.058 1.00 0.00 C ATOM 601 CG LEU A 547 2.807 -0.149 -1.256 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.245 0.847 -2.262 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.089 0.536 0.074 1.00 0.00 C ATOM 0 H LEU A 547 4.259 -2.038 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 547 1.744 -3.473 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 547 0.907 -1.094 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 547 1.623 -1.416 0.006 1.00 0.00 H new ATOM 0 HG LEU A 547 3.745 -0.537 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.945 1.674 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.097 0.351 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.291 1.230 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.773 1.370 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.156 0.907 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.541 -0.178 0.763 1.00 0.00 H new ATOM 615 N MET A 548 2.617 -1.818 -3.823 1.00 0.00 N ATOM 616 CA MET A 548 2.513 -1.804 -5.288 1.00 0.00 C ATOM 617 C MET A 548 1.073 -1.611 -5.772 1.00 0.00 C ATOM 618 O MET A 548 0.846 -1.208 -6.913 1.00 0.00 O ATOM 619 CB MET A 548 3.082 -3.091 -5.884 1.00 0.00 C ATOM 620 CG MET A 548 4.587 -3.226 -5.720 1.00 0.00 C ATOM 621 SD MET A 548 5.099 -4.927 -5.418 1.00 0.00 S ATOM 622 CE MET A 548 4.111 -5.314 -3.977 1.00 0.00 C ATOM 0 H MET A 548 3.080 -0.997 -3.434 1.00 0.00 H new ATOM 0 HA MET A 548 3.098 -0.950 -5.631 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.596 -3.945 -5.413 1.00 0.00 H new ATOM 0 HB3 MET A 548 2.836 -3.130 -6.945 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.082 -2.855 -6.618 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.917 -2.598 -4.892 1.00 0.00 H new ATOM 0 HE1 MET A 548 4.629 -6.057 -3.370 1.00 0.00 H new ATOM 0 HE2 MET A 548 3.955 -4.409 -3.389 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.147 -5.712 -4.293 1.00 0.00 H new ATOM 632 N HIS A 549 0.105 -1.896 -4.909 1.00 0.00 N ATOM 633 CA HIS A 549 -1.305 -1.748 -5.265 1.00 0.00 C ATOM 634 C HIS A 549 -1.795 -0.340 -4.951 1.00 0.00 C ATOM 635 O HIS A 549 -2.786 0.121 -5.517 1.00 0.00 O ATOM 636 CB HIS A 549 -2.166 -2.779 -4.522 1.00 0.00 C ATOM 637 CG HIS A 549 -1.588 -3.211 -3.209 1.00 0.00 C ATOM 638 ND1 HIS A 549 -1.124 -2.320 -2.267 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.371 -4.446 -2.696 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.640 -2.984 -1.235 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.781 -4.276 -1.468 1.00 0.00 N ATOM 0 H HIS A 549 0.268 -2.230 -3.959 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.399 -1.922 -6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -3.157 -2.357 -4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.297 -3.655 -5.157 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.616 -5.387 -3.165 1.00 0.00 H new ATOM 0 HE1 HIS A 549 -0.203 -2.545 -0.350 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -0.498 -5.026 -0.838 1.00 0.00 H new ATOM 650 N ASN A 550 -1.094 0.339 -4.042 1.00 0.00 N ATOM 651 CA ASN A 550 -1.451 1.701 -3.643 1.00 0.00 C ATOM 652 C ASN A 550 -2.741 1.730 -2.818 1.00 0.00 C ATOM 653 O ASN A 550 -3.124 2.779 -2.299 1.00 0.00 O ATOM 654 CB ASN A 550 -1.595 2.602 -4.875 1.00 0.00 C ATOM 655 CG ASN A 550 -0.324 2.660 -5.704 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.174 1.720 -6.629 1.00 0.00 O flip ATOM 657 ND2 ASN A 550 0.515 3.541 -5.514 1.00 0.00 N flip ATOM 0 H ASN A 550 -0.272 -0.034 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.643 2.079 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.413 2.236 -5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.863 3.609 -4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.361 4.245 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 550 1.364 3.567 -6.078 1.00 0.00 H new ATOM 664 N GLN A 551 -3.404 0.580 -2.686 1.00 0.00 N ATOM 665 CA GLN A 551 -4.634 0.490 -1.916 1.00 0.00 C ATOM 666 C GLN A 551 -5.769 1.240 -2.593 1.00 0.00 C ATOM 667 O GLN A 551 -5.686 2.441 -2.845 1.00 0.00 O ATOM 668 CB GLN A 551 -4.413 1.010 -0.503 1.00 0.00 C ATOM 669 CG GLN A 551 -3.169 0.438 0.149 1.00 0.00 C ATOM 670 CD GLN A 551 -3.137 0.663 1.648 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.126 1.800 2.118 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.121 -0.426 2.409 1.00 0.00 N ATOM 0 H GLN A 551 -3.105 -0.300 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 551 -4.920 -0.560 -1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.336 2.097 -0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.282 0.767 0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.116 -0.631 -0.055 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.286 0.892 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.131 -1.350 1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.099 -0.338 3.425 1.00 0.00 H new ATOM 681 N ASP A 552 -6.826 0.501 -2.889 1.00 0.00 N ATOM 682 CA ASP A 552 -8.003 1.056 -3.550 1.00 0.00 C ATOM 683 C ASP A 552 -9.263 0.268 -3.191 1.00 0.00 C ATOM 684 O ASP A 552 -9.937 -0.274 -4.068 1.00 0.00 O ATOM 685 CB ASP A 552 -7.801 1.056 -5.067 1.00 0.00 C ATOM 686 CG ASP A 552 -8.400 2.282 -5.729 1.00 0.00 C ATOM 687 OD1 ASP A 552 -7.812 3.376 -5.596 1.00 0.00 O ATOM 688 OD2 ASP A 552 -9.457 2.148 -6.381 1.00 0.00 O ATOM 0 H ASP A 552 -6.896 -0.495 -2.681 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.134 2.081 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -6.735 1.011 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.253 0.160 -5.491 1.00 0.00 H new ATOM 693 N GLY A 553 -9.581 0.209 -1.899 1.00 0.00 N ATOM 694 CA GLY A 553 -10.763 -0.512 -1.461 1.00 0.00 C ATOM 695 C GLY A 553 -10.579 -2.015 -1.509 1.00 0.00 C ATOM 696 O GLY A 553 -11.401 -2.731 -2.079 1.00 0.00 O ATOM 0 H GLY A 553 -9.043 0.646 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.010 -0.212 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.608 -0.233 -2.090 1.00 0.00 H new ATOM 700 N LEU A 554 -9.495 -2.492 -0.907 1.00 0.00 N ATOM 701 CA LEU A 554 -9.204 -3.920 -0.880 1.00 0.00 C ATOM 702 C LEU A 554 -9.536 -4.514 0.485 1.00 0.00 C ATOM 703 O LEU A 554 -9.917 -5.679 0.592 1.00 0.00 O ATOM 704 CB LEU A 554 -7.730 -4.163 -1.209 1.00 0.00 C ATOM 705 CG LEU A 554 -7.175 -3.314 -2.357 1.00 0.00 C ATOM 706 CD1 LEU A 554 -5.790 -3.798 -2.757 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.118 -3.345 -3.552 1.00 0.00 C ATOM 0 H LEU A 554 -8.804 -1.911 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.824 -4.410 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.137 -3.970 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -7.598 -5.216 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.093 -2.283 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.412 -3.183 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.117 -3.721 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.847 -4.837 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.706 -2.736 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.234 -4.372 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.090 -2.949 -3.259 1.00 0.00 H new ATOM 719 N ILE A 555 -9.392 -3.700 1.524 1.00 0.00 N ATOM 720 CA ILE A 555 -9.679 -4.137 2.885 1.00 0.00 C ATOM 721 C ILE A 555 -10.940 -3.458 3.421 1.00 0.00 C ATOM 722 O ILE A 555 -11.594 -3.971 4.329 1.00 0.00 O ATOM 723 CB ILE A 555 -8.489 -3.876 3.843 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.534 -2.819 3.267 1.00 0.00 C ATOM 725 CG2 ILE A 555 -7.742 -5.174 4.120 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.656 -3.331 2.142 1.00 0.00 C ATOM 0 H ILE A 555 -9.078 -2.732 1.450 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.844 -5.214 2.844 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.887 -3.491 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -8.120 -1.975 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.898 -2.443 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -6.908 -4.977 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.420 -5.893 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.363 -5.582 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.011 -2.526 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.042 -4.155 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.283 -3.680 1.321 1.00 0.00 H new ATOM 738 N CYS A 556 -11.290 -2.313 2.836 1.00 0.00 N ATOM 739 CA CYS A 556 -12.489 -1.576 3.234 1.00 0.00 C ATOM 740 C CYS A 556 -13.605 -1.843 2.241 1.00 0.00 C ATOM 741 O CYS A 556 -14.415 -0.965 1.942 1.00 0.00 O ATOM 742 CB CYS A 556 -12.206 -0.071 3.294 1.00 0.00 C ATOM 743 SG CYS A 556 -13.173 0.853 4.545 1.00 0.00 S ATOM 0 H CYS A 556 -10.759 -1.875 2.083 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.790 -1.914 4.226 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.145 0.075 3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.405 0.360 2.313 1.00 0.00 H new ATOM 748 N GLY A 557 -13.625 -3.058 1.719 1.00 0.00 N ATOM 749 CA GLY A 557 -14.618 -3.432 0.751 1.00 0.00 C ATOM 750 C GLY A 557 -14.097 -4.509 -0.167 1.00 0.00 C ATOM 751 O GLY A 557 -12.936 -4.486 -0.574 1.00 0.00 O ATOM 0 H GLY A 557 -12.961 -3.795 1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.514 -3.786 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -14.908 -2.559 0.166 1.00 0.00 H new ATOM 755 N LEU A 558 -14.951 -5.460 -0.476 1.00 0.00 N ATOM 756 CA LEU A 558 -14.578 -6.574 -1.336 1.00 0.00 C ATOM 757 C LEU A 558 -14.855 -6.265 -2.804 1.00 0.00 C ATOM 758 O LEU A 558 -14.309 -6.915 -3.696 1.00 0.00 O ATOM 759 CB LEU A 558 -15.334 -7.842 -0.927 1.00 0.00 C ATOM 760 CG LEU A 558 -15.962 -7.826 0.470 1.00 0.00 C ATOM 761 CD1 LEU A 558 -16.937 -8.982 0.621 1.00 0.00 C ATOM 762 CD2 LEU A 558 -14.885 -7.879 1.545 1.00 0.00 C ATOM 0 H LEU A 558 -15.915 -5.488 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.507 -6.735 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.123 -8.022 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.647 -8.686 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.513 -6.893 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -17.376 -8.959 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -17.726 -8.892 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -16.409 -9.925 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -15.353 -7.867 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.302 -8.793 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.228 -7.015 1.445 1.00 0.00 H new ATOM 774 N ARG A 559 -15.717 -5.285 -3.053 1.00 0.00 N ATOM 775 CA ARG A 559 -16.074 -4.917 -4.418 1.00 0.00 C ATOM 776 C ARG A 559 -15.967 -3.409 -4.639 1.00 0.00 C ATOM 777 O ARG A 559 -16.709 -2.835 -5.436 1.00 0.00 O ATOM 778 CB ARG A 559 -17.493 -5.399 -4.737 1.00 0.00 C ATOM 779 CG ARG A 559 -18.306 -5.777 -3.506 1.00 0.00 C ATOM 780 CD ARG A 559 -19.789 -5.824 -3.820 1.00 0.00 C ATOM 781 NE ARG A 559 -20.611 -5.574 -2.638 1.00 0.00 N ATOM 782 CZ ARG A 559 -21.903 -5.883 -2.557 1.00 0.00 C ATOM 783 NH1 ARG A 559 -22.522 -6.456 -3.582 1.00 0.00 N ATOM 784 NH2 ARG A 559 -22.580 -5.619 -1.446 1.00 0.00 N ATOM 0 H ARG A 559 -16.180 -4.733 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.368 -5.402 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -18.019 -4.615 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.433 -6.262 -5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.979 -6.749 -3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.123 -5.055 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -20.020 -5.083 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -20.040 -6.800 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 559 -20.169 -5.138 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -22.007 -6.662 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -23.512 -6.690 -3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -22.110 -5.179 -0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -23.570 -5.856 -1.384 1.00 0.00 H new ATOM 798 N GLN A 560 -15.037 -2.774 -3.936 1.00 0.00 N ATOM 799 CA GLN A 560 -14.831 -1.334 -4.065 1.00 0.00 C ATOM 800 C GLN A 560 -14.334 -0.982 -5.463 1.00 0.00 C ATOM 801 O GLN A 560 -13.159 -1.279 -5.765 1.00 0.00 O ATOM 802 CB GLN A 560 -13.828 -0.833 -3.016 1.00 0.00 C ATOM 803 CG GLN A 560 -14.340 -0.875 -1.577 1.00 0.00 C ATOM 804 CD GLN A 560 -15.841 -1.091 -1.478 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.263 -2.348 -1.568 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.610 -0.141 -1.322 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -15.125 -0.413 -6.245 1.00 0.00 O ATOM 0 H GLN A 560 -14.413 -3.232 -3.271 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.790 -0.843 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.921 -1.434 -3.083 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.549 0.192 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.829 -1.674 -1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.081 0.060 -1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.242 0.808 -1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.615 -0.304 -1.257 1.00 0.00 H new