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= -6.27! C(o=-6.9!,f=-8.4!) USER MOD Set 1.2: A 550 ASN : amide:sc= -0.633 X(o=-6.9,f=-6.7) USER MOD Set 2.1: A 512 ASN :FLIP amide:sc= -1.45 F(o=-5.2,f=-1.6) USER MOD Set 2.2: A 516 HIS :FLIP no HD1:sc= -0.167 X(o=-1.7,f=-1.6) USER MOD Single : A 508 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -2.26 K(o=-2.3,f=-3.5!) 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 -124:sc= -1.41! USER MOD Single : A 534 TYR OH : rot 180:sc= -0.505 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl -149:sc= -3.64! (180deg=-6.03!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 551 GLN : amide:sc= -3.69 K(o=-3.7,f=-7.8!) USER MOD Single : A 560 GLN :FLIP amide:sc= -0.843 F(o=-2.9,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -10.828 -10.907 -0.944 1.00 0.00 N ATOM 2 CA ALA A 507 -11.722 -10.141 -0.036 1.00 0.00 C ATOM 3 C ALA A 507 -11.127 -10.049 1.366 1.00 0.00 C ATOM 4 O ALA A 507 -10.548 -11.011 1.871 1.00 0.00 O ATOM 5 CB ALA A 507 -13.098 -10.787 0.017 1.00 0.00 C ATOM 0 HA ALA A 507 -11.822 -9.130 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.742 -10.216 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.533 -10.800 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -13.006 -11.808 0.386 1.00 0.00 H new ATOM 13 N GLN A 508 -11.275 -8.884 1.989 1.00 0.00 N ATOM 14 CA GLN A 508 -10.752 -8.665 3.334 1.00 0.00 C ATOM 15 C GLN A 508 -11.450 -7.480 4.003 1.00 0.00 C ATOM 16 O GLN A 508 -11.463 -6.374 3.464 1.00 0.00 O ATOM 17 CB GLN A 508 -9.242 -8.423 3.288 1.00 0.00 C ATOM 18 CG GLN A 508 -8.795 -7.519 2.146 1.00 0.00 C ATOM 19 CD GLN A 508 -7.416 -7.875 1.628 1.00 0.00 C ATOM 20 OE1 GLN A 508 -7.252 -8.243 0.466 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.414 -7.769 2.494 1.00 0.00 N ATOM 0 H GLN A 508 -11.752 -8.078 1.585 1.00 0.00 H new ATOM 0 HA GLN A 508 -10.949 -9.561 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.926 -7.981 4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.733 -9.383 3.199 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.515 -7.587 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.796 -6.483 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -6.596 -7.460 3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.463 -7.997 2.204 1.00 0.00 H new ATOM 30 N PRO A 509 -12.053 -7.700 5.186 1.00 0.00 N ATOM 31 CA PRO A 509 -12.768 -6.666 5.928 1.00 0.00 C ATOM 32 C PRO A 509 -11.898 -5.988 6.981 1.00 0.00 C ATOM 33 O PRO A 509 -11.500 -6.605 7.968 1.00 0.00 O ATOM 34 CB PRO A 509 -13.847 -7.490 6.601 1.00 0.00 C ATOM 35 CG PRO A 509 -13.105 -8.709 7.015 1.00 0.00 C ATOM 36 CD PRO A 509 -12.114 -8.987 5.905 1.00 0.00 C ATOM 0 HA PRO A 509 -13.120 -5.851 5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -14.283 -6.970 7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.664 -7.724 5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.594 -8.552 7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.783 -9.551 7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -11.139 -9.277 6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -12.450 -9.796 5.257 1.00 0.00 H new ATOM 44 N LYS A 510 -11.626 -4.715 6.765 1.00 0.00 N ATOM 45 CA LYS A 510 -10.810 -3.923 7.693 1.00 0.00 C ATOM 46 C LYS A 510 -11.033 -2.430 7.490 1.00 0.00 C ATOM 47 O LYS A 510 -11.124 -1.666 8.451 1.00 0.00 O ATOM 48 CB LYS A 510 -9.325 -4.252 7.527 1.00 0.00 C ATOM 49 CG LYS A 510 -8.862 -5.452 8.337 1.00 0.00 C ATOM 50 CD LYS A 510 -9.067 -5.240 9.830 1.00 0.00 C ATOM 51 CE LYS A 510 -8.328 -4.008 10.327 1.00 0.00 C ATOM 52 NZ LYS A 510 -8.021 -4.092 11.781 1.00 0.00 N ATOM 0 H LYS A 510 -11.957 -4.196 5.952 1.00 0.00 H new ATOM 0 HA LYS A 510 -11.120 -4.184 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.121 -4.438 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.736 -3.382 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.409 -6.339 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -7.807 -5.639 8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -10.131 -5.136 10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -8.719 -6.118 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -7.400 -3.891 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.931 -3.121 10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.517 -3.233 12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.907 -4.178 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -7.424 -4.924 11.962 1.00 0.00 H new ATOM 66 N CYS A 511 -11.112 -2.034 6.232 1.00 0.00 N ATOM 67 CA CYS A 511 -11.321 -0.639 5.856 1.00 0.00 C ATOM 68 C CYS A 511 -10.069 0.187 6.047 1.00 0.00 C ATOM 69 O CYS A 511 -10.108 1.297 6.577 1.00 0.00 O ATOM 70 CB CYS A 511 -12.505 -0.025 6.602 1.00 0.00 C ATOM 71 SG CYS A 511 -14.088 -0.163 5.706 1.00 0.00 S ATOM 0 H CYS A 511 -11.033 -2.669 5.438 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.561 -0.630 4.793 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.603 -0.512 7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.296 1.028 6.793 1.00 0.00 H new ATOM 76 N ASN A 512 -8.960 -0.354 5.568 1.00 0.00 N ATOM 77 CA ASN A 512 -7.687 0.340 5.636 1.00 0.00 C ATOM 78 C ASN A 512 -6.996 0.364 4.266 1.00 0.00 C ATOM 79 O ASN A 512 -5.768 0.340 4.186 1.00 0.00 O ATOM 80 CB ASN A 512 -6.774 -0.314 6.679 1.00 0.00 C ATOM 81 CG ASN A 512 -5.441 0.405 6.846 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.354 1.650 6.376 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -4.494 -0.156 7.396 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.917 -1.273 5.128 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.883 1.369 5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.289 -0.338 7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.588 -1.349 6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.598 -1.109 7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -3.605 0.332 7.505 1.00 0.00 H new ATOM 90 N PRO A 513 -7.771 0.404 3.156 1.00 0.00 N ATOM 91 CA PRO A 513 -7.207 0.421 1.804 1.00 0.00 C ATOM 92 C PRO A 513 -6.808 1.828 1.337 1.00 0.00 C ATOM 93 O PRO A 513 -5.770 2.348 1.746 1.00 0.00 O ATOM 94 CB PRO A 513 -8.360 -0.137 0.976 1.00 0.00 C ATOM 95 CG PRO A 513 -9.568 0.422 1.643 1.00 0.00 C ATOM 96 CD PRO A 513 -9.252 0.420 3.116 1.00 0.00 C ATOM 0 HA PRO A 513 -6.280 -0.146 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.295 0.177 -0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.367 -1.227 0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.781 1.431 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.449 -0.183 1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.657 1.301 3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.676 -0.451 3.616 1.00 0.00 H new ATOM 104 N ASN A 514 -7.622 2.435 0.467 1.00 0.00 N ATOM 105 CA ASN A 514 -7.333 3.761 -0.057 1.00 0.00 C ATOM 106 C ASN A 514 -7.586 4.853 0.984 1.00 0.00 C ATOM 107 O ASN A 514 -7.354 6.031 0.726 1.00 0.00 O ATOM 108 CB ASN A 514 -8.166 4.015 -1.318 1.00 0.00 C ATOM 109 CG ASN A 514 -9.564 4.528 -1.013 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.753 5.706 -0.712 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.550 3.643 -1.092 1.00 0.00 N ATOM 0 H ASN A 514 -8.486 2.023 0.114 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.274 3.798 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.649 4.738 -1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.241 3.090 -1.890 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.510 3.930 -0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.348 2.676 -1.345 1.00 0.00 H new ATOM 118 N LEU A 515 -8.060 4.459 2.159 1.00 0.00 N ATOM 119 CA LEU A 515 -8.331 5.413 3.221 1.00 0.00 C ATOM 120 C LEU A 515 -7.166 5.460 4.200 1.00 0.00 C ATOM 121 O LEU A 515 -7.353 5.479 5.416 1.00 0.00 O ATOM 122 CB LEU A 515 -9.630 5.044 3.937 1.00 0.00 C ATOM 123 CG LEU A 515 -10.846 4.893 3.016 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.915 6.050 2.027 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.792 3.561 2.277 1.00 0.00 C ATOM 0 H LEU A 515 -8.263 3.489 2.398 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.448 6.405 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.480 4.108 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.848 5.809 4.683 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.747 4.911 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.785 5.926 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -10.999 6.990 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.011 6.063 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.663 3.470 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.884 3.515 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.791 2.744 2.999 1.00 0.00 H new ATOM 137 N HIS A 516 -5.957 5.477 3.645 1.00 0.00 N ATOM 138 CA HIS A 516 -4.736 5.520 4.439 1.00 0.00 C ATOM 139 C HIS A 516 -3.506 5.382 3.543 1.00 0.00 C ATOM 140 O HIS A 516 -2.453 5.943 3.833 1.00 0.00 O ATOM 141 CB HIS A 516 -4.740 4.412 5.497 1.00 0.00 C ATOM 142 CG HIS A 516 -4.500 4.912 6.887 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.883 6.034 7.331 1.00 0.00 N flip ATOM 144 CD2 HIS A 516 -4.914 4.233 8.013 1.00 0.00 C flip ATOM 145 CE1 HIS A 516 -3.936 6.010 8.704 1.00 0.00 C flip ATOM 146 NE2 HIS A 516 -4.562 4.914 9.090 1.00 0.00 N flip ATOM 0 H HIS A 516 -5.798 5.461 2.638 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.695 6.485 4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.699 3.895 5.466 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.974 3.678 5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -5.443 3.292 8.015 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -3.531 6.766 9.361 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -4.743 4.639 10.055 1.00 0.00 H new ATOM 155 N TYR A 517 -3.656 4.629 2.454 1.00 0.00 N ATOM 156 CA TYR A 517 -2.562 4.404 1.504 1.00 0.00 C ATOM 157 C TYR A 517 -1.771 5.692 1.242 1.00 0.00 C ATOM 158 O TYR A 517 -0.543 5.674 1.160 1.00 0.00 O ATOM 159 CB TYR A 517 -3.118 3.833 0.189 1.00 0.00 C ATOM 160 CG TYR A 517 -3.762 4.862 -0.719 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.834 5.631 -0.283 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.301 5.059 -2.016 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.427 6.567 -1.111 1.00 0.00 C ATOM 164 CE2 TYR A 517 -3.889 5.992 -2.849 1.00 0.00 C ATOM 165 CZ TYR A 517 -4.951 6.743 -2.392 1.00 0.00 C ATOM 166 OH TYR A 517 -5.540 7.672 -3.219 1.00 0.00 O ATOM 0 H TYR A 517 -4.528 4.162 2.205 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.874 3.682 1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.307 3.345 -0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.853 3.063 0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.211 5.496 0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.469 4.473 -2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.259 7.157 -0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.518 6.132 -3.854 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.085 7.672 -4.087 1.00 0.00 H new ATOM 176 N TRP A 518 -2.489 6.802 1.123 1.00 0.00 N ATOM 177 CA TRP A 518 -1.878 8.106 0.883 1.00 0.00 C ATOM 178 C TRP A 518 -1.053 8.552 2.087 1.00 0.00 C ATOM 179 O TRP A 518 -1.503 9.365 2.895 1.00 0.00 O ATOM 180 CB TRP A 518 -2.970 9.140 0.605 1.00 0.00 C ATOM 181 CG TRP A 518 -4.125 9.028 1.555 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.097 8.501 2.815 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.475 9.435 1.321 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.344 8.559 3.379 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.210 9.132 2.483 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.133 10.030 0.243 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.571 9.404 2.595 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.484 10.301 0.355 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.190 9.988 1.523 1.00 0.00 C ATOM 0 H TRP A 518 -3.507 6.825 1.190 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.216 8.022 0.021 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.544 10.141 0.674 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.331 9.016 -0.416 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.219 8.097 3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.589 8.230 4.313 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.596 10.274 -0.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.118 9.163 3.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.004 10.762 -0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.245 10.212 1.579 1.00 0.00 H new ATOM 200 N THR A 519 0.149 8.011 2.207 1.00 0.00 N ATOM 201 CA THR A 519 1.024 8.349 3.321 1.00 0.00 C ATOM 202 C THR A 519 2.445 7.890 3.040 1.00 0.00 C ATOM 203 O THR A 519 3.386 8.683 3.048 1.00 0.00 O ATOM 204 CB THR A 519 0.503 7.695 4.595 1.00 0.00 C ATOM 205 OG1 THR A 519 1.444 7.809 5.647 1.00 0.00 O ATOM 206 CG2 THR A 519 0.173 6.228 4.424 1.00 0.00 C ATOM 0 H THR A 519 0.541 7.338 1.549 1.00 0.00 H new ATOM 0 HA THR A 519 1.032 9.431 3.449 1.00 0.00 H new ATOM 0 HB THR A 519 -0.415 8.231 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.086 7.383 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.192 5.825 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.596 6.115 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.069 5.686 4.121 1.00 0.00 H new ATOM 214 N THR A 520 2.582 6.602 2.766 1.00 0.00 N ATOM 215 CA THR A 520 3.871 6.017 2.449 1.00 0.00 C ATOM 216 C THR A 520 3.815 5.380 1.065 1.00 0.00 C ATOM 217 O THR A 520 4.812 4.860 0.565 1.00 0.00 O ATOM 218 CB THR A 520 4.276 4.984 3.505 1.00 0.00 C ATOM 219 OG1 THR A 520 5.643 4.649 3.372 1.00 0.00 O ATOM 220 CG2 THR A 520 3.484 3.694 3.440 1.00 0.00 C ATOM 0 H THR A 520 1.807 5.939 2.758 1.00 0.00 H new ATOM 0 HA THR A 520 4.626 6.804 2.449 1.00 0.00 H new ATOM 0 HB THR A 520 4.068 5.463 4.462 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.733 3.680 3.256 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.830 3.015 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.426 3.909 3.589 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.626 3.229 2.464 1.00 0.00 H new ATOM 228 N GLN A 521 2.635 5.434 0.448 1.00 0.00 N ATOM 229 CA GLN A 521 2.440 4.878 -0.874 1.00 0.00 C ATOM 230 C GLN A 521 2.469 5.992 -1.922 1.00 0.00 C ATOM 231 O GLN A 521 2.985 5.825 -3.026 1.00 0.00 O ATOM 232 CB GLN A 521 1.124 4.086 -0.928 1.00 0.00 C ATOM 233 CG GLN A 521 -0.069 4.881 -1.432 1.00 0.00 C ATOM 234 CD GLN A 521 -0.109 4.972 -2.943 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.032 3.962 -3.642 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.232 6.189 -3.449 1.00 0.00 N ATOM 0 H GLN A 521 1.801 5.861 0.852 1.00 0.00 H new ATOM 0 HA GLN A 521 3.253 4.187 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.264 3.217 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.899 3.711 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.988 4.416 -1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.036 5.886 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.292 6.996 -2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.267 6.320 -4.460 1.00 0.00 H new ATOM 245 N ASP A 522 1.930 7.136 -1.542 1.00 0.00 N ATOM 246 CA ASP A 522 1.902 8.310 -2.414 1.00 0.00 C ATOM 247 C ASP A 522 3.079 9.231 -2.107 1.00 0.00 C ATOM 248 O ASP A 522 3.231 10.295 -2.706 1.00 0.00 O ATOM 249 CB ASP A 522 0.586 9.072 -2.246 1.00 0.00 C ATOM 250 CG ASP A 522 -0.112 9.319 -3.568 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.115 8.538 -4.516 1.00 0.00 O ATOM 252 OD2 ASP A 522 -0.886 10.296 -3.657 1.00 0.00 O ATOM 0 H ASP A 522 1.501 7.284 -0.629 1.00 0.00 H new ATOM 0 HA ASP A 522 1.981 7.970 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.076 8.508 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.782 10.027 -1.758 1.00 0.00 H new ATOM 257 N GLU A 523 3.903 8.796 -1.169 1.00 0.00 N ATOM 258 CA GLU A 523 5.083 9.540 -0.748 1.00 0.00 C ATOM 259 C GLU A 523 6.266 8.592 -0.623 1.00 0.00 C ATOM 260 O GLU A 523 7.423 8.994 -0.740 1.00 0.00 O ATOM 261 CB GLU A 523 4.818 10.241 0.584 1.00 0.00 C ATOM 262 CG GLU A 523 3.357 10.598 0.787 1.00 0.00 C ATOM 263 CD GLU A 523 3.164 11.756 1.747 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.626 11.651 2.903 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.551 12.767 1.343 1.00 0.00 O ATOM 0 H GLU A 523 3.774 7.913 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 523 5.314 10.299 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.145 9.595 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.419 11.149 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.912 10.852 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.823 9.726 1.165 1.00 0.00 H new ATOM 272 N GLY A 524 5.953 7.321 -0.404 1.00 0.00 N ATOM 273 CA GLY A 524 6.970 6.307 -0.290 1.00 0.00 C ATOM 274 C GLY A 524 6.879 5.312 -1.428 1.00 0.00 C ATOM 275 O GLY A 524 7.880 4.721 -1.828 1.00 0.00 O ATOM 0 H GLY A 524 4.998 6.977 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.955 6.774 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.863 5.786 0.662 1.00 0.00 H new ATOM 279 N ALA A 525 5.670 5.141 -1.966 1.00 0.00 N ATOM 280 CA ALA A 525 5.456 4.223 -3.077 1.00 0.00 C ATOM 281 C ALA A 525 5.252 4.991 -4.377 1.00 0.00 C ATOM 282 O ALA A 525 4.618 4.503 -5.312 1.00 0.00 O ATOM 283 CB ALA A 525 4.267 3.314 -2.797 1.00 0.00 C ATOM 0 H ALA A 525 4.830 5.625 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 525 6.345 3.601 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 525 4.122 2.635 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.456 2.736 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.371 3.919 -2.661 1.00 0.00 H new ATOM 289 N ALA A 526 5.793 6.202 -4.416 1.00 0.00 N ATOM 290 CA ALA A 526 5.677 7.064 -5.592 1.00 0.00 C ATOM 291 C ALA A 526 6.958 7.855 -5.861 1.00 0.00 C ATOM 292 O ALA A 526 7.056 8.566 -6.862 1.00 0.00 O ATOM 293 CB ALA A 526 4.511 8.019 -5.418 1.00 0.00 C ATOM 0 H ALA A 526 6.319 6.613 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 526 5.505 6.418 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.430 8.658 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.589 7.450 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.675 8.636 -4.535 1.00 0.00 H new ATOM 299 N ILE A 527 7.930 7.742 -4.965 1.00 0.00 N ATOM 300 CA ILE A 527 9.192 8.457 -5.103 1.00 0.00 C ATOM 301 C ILE A 527 10.367 7.547 -4.759 1.00 0.00 C ATOM 302 O ILE A 527 11.422 7.610 -5.392 1.00 0.00 O ATOM 303 CB ILE A 527 9.237 9.710 -4.197 1.00 0.00 C ATOM 304 CG1 ILE A 527 8.043 9.723 -3.228 1.00 0.00 C ATOM 305 CG2 ILE A 527 9.270 10.978 -5.041 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.779 10.336 -3.798 1.00 0.00 C ATOM 0 H ILE A 527 7.868 7.159 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 527 9.269 8.775 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 527 10.150 9.674 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.829 8.699 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 527 8.326 10.273 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 527 9.301 11.850 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 527 10.155 10.969 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 527 8.377 11.024 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.989 10.304 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.971 11.372 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.467 9.774 -4.678 1.00 0.00 H new ATOM 318 N GLY A 528 10.177 6.701 -3.750 1.00 0.00 N ATOM 319 CA GLY A 528 11.226 5.789 -3.338 1.00 0.00 C ATOM 320 C GLY A 528 11.451 4.669 -4.332 1.00 0.00 C ATOM 321 O GLY A 528 11.790 4.918 -5.488 1.00 0.00 O ATOM 0 H GLY A 528 9.314 6.632 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 528 12.154 6.345 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.971 5.362 -2.368 1.00 0.00 H new ATOM 325 N LEU A 529 11.278 3.431 -3.879 1.00 0.00 N ATOM 326 CA LEU A 529 11.482 2.271 -4.742 1.00 0.00 C ATOM 327 C LEU A 529 10.293 1.306 -4.704 1.00 0.00 C ATOM 328 O LEU A 529 10.439 0.140 -4.334 1.00 0.00 O ATOM 329 CB LEU A 529 12.759 1.539 -4.330 1.00 0.00 C ATOM 330 CG LEU A 529 14.059 2.321 -4.530 1.00 0.00 C ATOM 331 CD1 LEU A 529 15.259 1.458 -4.175 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.167 2.822 -5.962 1.00 0.00 C ATOM 0 H LEU A 529 10.998 3.205 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 529 11.575 2.634 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.678 1.266 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.823 0.610 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 529 14.046 3.184 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 529 16.175 2.030 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 529 15.189 1.149 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 529 15.275 0.576 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.098 3.376 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 529 14.157 1.973 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 529 13.324 3.476 -6.183 1.00 0.00 H new ATOM 344 N ALA A 530 9.122 1.791 -5.109 1.00 0.00 N ATOM 345 CA ALA A 530 7.913 0.966 -5.144 1.00 0.00 C ATOM 346 C ALA A 530 7.781 0.281 -6.499 1.00 0.00 C ATOM 347 O ALA A 530 7.246 -0.821 -6.614 1.00 0.00 O ATOM 348 CB ALA A 530 6.688 1.817 -4.867 1.00 0.00 C ATOM 0 H ALA A 530 8.983 2.753 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 530 7.990 0.202 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.796 1.191 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.778 2.275 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.608 2.597 -5.624 1.00 0.00 H new ATOM 354 N TRP A 531 8.293 0.958 -7.513 1.00 0.00 N ATOM 355 CA TRP A 531 8.276 0.462 -8.887 1.00 0.00 C ATOM 356 C TRP A 531 9.258 -0.694 -9.032 1.00 0.00 C ATOM 357 O TRP A 531 9.155 -1.509 -9.949 1.00 0.00 O ATOM 358 CB TRP A 531 8.681 1.594 -9.838 1.00 0.00 C ATOM 359 CG TRP A 531 9.542 2.612 -9.160 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.823 2.441 -8.731 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.162 3.938 -8.786 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.267 3.579 -8.108 1.00 0.00 N ATOM 363 CE2 TRP A 531 10.267 4.519 -8.136 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.995 4.692 -8.942 1.00 0.00 C ATOM 365 CZ2 TRP A 531 10.235 5.822 -7.640 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.965 5.982 -8.450 1.00 0.00 C ATOM 367 CH2 TRP A 531 9.077 6.536 -7.808 1.00 0.00 C ATOM 0 H TRP A 531 8.735 1.871 -7.410 1.00 0.00 H new ATOM 0 HA TRP A 531 7.273 0.114 -9.132 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.216 1.177 -10.691 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.786 2.078 -10.228 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.404 1.540 -8.862 1.00 0.00 H new ATOM 0 HE1 TRP A 531 12.189 3.706 -7.692 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.132 4.273 -9.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 11.091 6.253 -7.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 7.068 6.573 -8.563 1.00 0.00 H new ATOM 0 HH2 TRP A 531 9.022 7.549 -7.436 1.00 0.00 H new ATOM 378 N ILE A 532 10.218 -0.742 -8.115 1.00 0.00 N ATOM 379 CA ILE A 532 11.242 -1.768 -8.113 1.00 0.00 C ATOM 380 C ILE A 532 11.195 -2.569 -6.810 1.00 0.00 C ATOM 381 O ILE A 532 11.962 -2.308 -5.884 1.00 0.00 O ATOM 382 CB ILE A 532 12.621 -1.110 -8.272 1.00 0.00 C ATOM 383 CG1 ILE A 532 13.748 -2.136 -8.177 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.799 -0.017 -7.226 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.114 -1.495 -8.193 1.00 0.00 C ATOM 0 H ILE A 532 10.304 -0.068 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 532 11.063 -2.450 -8.944 1.00 0.00 H new ATOM 0 HB ILE A 532 12.671 -0.664 -9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 532 13.632 -2.715 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.669 -2.836 -9.008 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.779 0.445 -7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.024 0.739 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.721 -0.451 -6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 532 15.879 -2.268 -8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 532 15.244 -0.938 -9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 532 15.207 -0.815 -7.346 1.00 0.00 H new ATOM 397 N PRO A 533 10.275 -3.546 -6.717 1.00 0.00 N ATOM 398 CA PRO A 533 10.108 -4.375 -5.519 1.00 0.00 C ATOM 399 C PRO A 533 11.216 -5.412 -5.352 1.00 0.00 C ATOM 400 O PRO A 533 11.688 -5.997 -6.327 1.00 0.00 O ATOM 401 CB PRO A 533 8.757 -5.076 -5.739 1.00 0.00 C ATOM 402 CG PRO A 533 8.158 -4.440 -6.953 1.00 0.00 C ATOM 403 CD PRO A 533 9.307 -3.909 -7.756 1.00 0.00 C ATOM 0 HA PRO A 533 10.149 -3.769 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 533 8.892 -6.148 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 533 8.107 -4.953 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 533 7.583 -5.165 -7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 533 7.474 -3.638 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 533 9.706 -4.659 -8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.018 -3.049 -8.360 1.00 0.00 H new ATOM 411 N TYR A 534 11.608 -5.640 -4.101 1.00 0.00 N ATOM 412 CA TYR A 534 12.647 -6.613 -3.770 1.00 0.00 C ATOM 413 C TYR A 534 12.965 -6.564 -2.282 1.00 0.00 C ATOM 414 O TYR A 534 13.207 -7.593 -1.651 1.00 0.00 O ATOM 415 CB TYR A 534 13.918 -6.360 -4.576 1.00 0.00 C ATOM 416 CG TYR A 534 14.542 -5.001 -4.339 1.00 0.00 C ATOM 417 CD1 TYR A 534 14.144 -3.894 -5.076 1.00 0.00 C ATOM 418 CD2 TYR A 534 15.535 -4.830 -3.382 1.00 0.00 C ATOM 419 CE1 TYR A 534 14.717 -2.654 -4.868 1.00 0.00 C ATOM 420 CE2 TYR A 534 16.111 -3.592 -3.166 1.00 0.00 C ATOM 421 CZ TYR A 534 15.700 -2.508 -3.912 1.00 0.00 C ATOM 422 OH TYR A 534 16.273 -1.275 -3.700 1.00 0.00 O ATOM 0 H TYR A 534 11.217 -5.158 -3.291 1.00 0.00 H new ATOM 0 HA TYR A 534 12.268 -7.603 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 534 14.649 -7.131 -4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 534 13.689 -6.462 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 534 13.373 -4.004 -5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 534 15.862 -5.678 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 534 14.397 -1.803 -5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 534 16.879 -3.475 -2.416 1.00 0.00 H new ATOM 0 HH TYR A 534 16.947 -1.345 -2.992 1.00 0.00 H new ATOM 432 N PHE A 535 12.947 -5.358 -1.730 1.00 0.00 N ATOM 433 CA PHE A 535 13.219 -5.157 -0.313 1.00 0.00 C ATOM 434 C PHE A 535 11.921 -5.188 0.491 1.00 0.00 C ATOM 435 O PHE A 535 11.862 -4.677 1.609 1.00 0.00 O ATOM 436 CB PHE A 535 13.935 -3.824 -0.092 1.00 0.00 C ATOM 437 CG PHE A 535 13.134 -2.632 -0.532 1.00 0.00 C ATOM 438 CD1 PHE A 535 13.106 -2.254 -1.865 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.405 -1.893 0.385 1.00 0.00 C ATOM 440 CE1 PHE A 535 12.369 -1.162 -2.275 1.00 0.00 C ATOM 441 CE2 PHE A 535 11.664 -0.798 -0.021 1.00 0.00 C ATOM 442 CZ PHE A 535 11.647 -0.432 -1.353 1.00 0.00 C ATOM 0 H PHE A 535 12.746 -4.501 -2.245 1.00 0.00 H new ATOM 0 HA PHE A 535 13.864 -5.966 0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 535 14.174 -3.720 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.881 -3.835 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 535 13.668 -2.821 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 535 12.415 -2.175 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 535 12.357 -0.879 -3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.099 -0.229 0.703 1.00 0.00 H new ATOM 0 HZ PHE A 535 11.070 0.423 -1.672 1.00 0.00 H new ATOM 452 N GLY A 536 10.881 -5.784 -0.094 1.00 0.00 N ATOM 453 CA GLY A 536 9.588 -5.869 0.574 1.00 0.00 C ATOM 454 C GLY A 536 9.697 -6.221 2.051 1.00 0.00 C ATOM 455 O GLY A 536 9.145 -5.516 2.897 1.00 0.00 O ATOM 0 H GLY A 536 10.910 -6.210 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 536 9.070 -4.915 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.976 -6.619 0.073 1.00 0.00 H new ATOM 459 N PRO A 537 10.407 -7.310 2.394 1.00 0.00 N ATOM 460 CA PRO A 537 10.576 -7.738 3.787 1.00 0.00 C ATOM 461 C PRO A 537 11.552 -6.852 4.563 1.00 0.00 C ATOM 462 O PRO A 537 11.773 -7.057 5.756 1.00 0.00 O ATOM 463 CB PRO A 537 11.133 -9.155 3.652 1.00 0.00 C ATOM 464 CG PRO A 537 11.855 -9.153 2.352 1.00 0.00 C ATOM 465 CD PRO A 537 11.101 -8.211 1.452 1.00 0.00 C ATOM 0 HA PRO A 537 9.642 -7.679 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.803 -9.398 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 537 10.335 -9.897 3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 537 12.887 -8.826 2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 537 11.889 -10.155 1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 537 11.774 -7.661 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 537 10.396 -8.744 0.814 1.00 0.00 H new ATOM 473 N ALA A 538 12.134 -5.870 3.878 1.00 0.00 N ATOM 474 CA ALA A 538 13.085 -4.960 4.503 1.00 0.00 C ATOM 475 C ALA A 538 12.363 -3.778 5.137 1.00 0.00 C ATOM 476 O ALA A 538 12.524 -3.505 6.325 1.00 0.00 O ATOM 477 CB ALA A 538 14.105 -4.478 3.482 1.00 0.00 C ATOM 0 H ALA A 538 11.962 -5.686 2.890 1.00 0.00 H new ATOM 0 HA ALA A 538 13.611 -5.499 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 538 14.809 -3.799 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 538 14.646 -5.333 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 538 13.592 -3.956 2.674 1.00 0.00 H new ATOM 483 N ALA A 539 11.554 -3.090 4.338 1.00 0.00 N ATOM 484 CA ALA A 539 10.797 -1.951 4.831 1.00 0.00 C ATOM 485 C ALA A 539 9.823 -2.406 5.905 1.00 0.00 C ATOM 486 O ALA A 539 9.794 -1.866 7.011 1.00 0.00 O ATOM 487 CB ALA A 539 10.049 -1.278 3.693 1.00 0.00 C ATOM 0 H ALA A 539 11.408 -3.302 3.351 1.00 0.00 H new ATOM 0 HA ALA A 539 11.489 -1.228 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 539 9.487 -0.427 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 539 10.761 -0.932 2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.361 -1.991 3.238 1.00 0.00 H new ATOM 493 N GLU A 540 9.042 -3.424 5.565 1.00 0.00 N ATOM 494 CA GLU A 540 8.063 -4.006 6.479 1.00 0.00 C ATOM 495 C GLU A 540 7.357 -2.958 7.344 1.00 0.00 C ATOM 496 O GLU A 540 6.918 -3.259 8.454 1.00 0.00 O ATOM 497 CB GLU A 540 8.750 -5.037 7.370 1.00 0.00 C ATOM 498 CG GLU A 540 9.761 -4.436 8.333 1.00 0.00 C ATOM 499 CD GLU A 540 9.902 -5.245 9.608 1.00 0.00 C ATOM 500 OE1 GLU A 540 8.864 -5.637 10.181 1.00 0.00 O ATOM 501 OE2 GLU A 540 11.052 -5.486 10.034 1.00 0.00 O ATOM 0 H GLU A 540 9.068 -3.870 4.648 1.00 0.00 H new ATOM 0 HA GLU A 540 7.294 -4.481 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.992 -5.573 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 540 9.253 -5.771 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.731 -4.368 7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.459 -3.419 8.583 1.00 0.00 H new ATOM 508 N GLY A 541 7.227 -1.737 6.831 1.00 0.00 N ATOM 509 CA GLY A 541 6.546 -0.695 7.583 1.00 0.00 C ATOM 510 C GLY A 541 7.351 0.580 7.760 1.00 0.00 C ATOM 511 O GLY A 541 7.026 1.402 8.616 1.00 0.00 O ATOM 0 H GLY A 541 7.577 -1.452 5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 541 5.611 -0.452 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 541 6.286 -1.085 8.567 1.00 0.00 H new ATOM 515 N ILE A 542 8.387 0.767 6.952 1.00 0.00 N ATOM 516 CA ILE A 542 9.200 1.975 7.046 1.00 0.00 C ATOM 517 C ILE A 542 8.834 2.961 5.947 1.00 0.00 C ATOM 518 O ILE A 542 8.751 4.166 6.184 1.00 0.00 O ATOM 519 CB ILE A 542 10.705 1.675 6.952 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.097 0.573 7.929 1.00 0.00 C ATOM 521 CG2 ILE A 542 11.515 2.935 7.217 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.177 -0.329 7.386 1.00 0.00 C ATOM 0 H ILE A 542 8.682 0.107 6.232 1.00 0.00 H new ATOM 0 HA ILE A 542 8.991 2.407 8.024 1.00 0.00 H new ATOM 0 HB ILE A 542 10.923 1.329 5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 542 11.440 1.024 8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 542 10.217 -0.024 8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 542 12.578 2.706 7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 542 11.258 3.695 6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 542 11.290 3.309 8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.416 -1.095 8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.827 -0.804 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.069 0.260 7.172 1.00 0.00 H new ATOM 534 N TYR A 543 8.621 2.443 4.743 1.00 0.00 N ATOM 535 CA TYR A 543 8.268 3.300 3.612 1.00 0.00 C ATOM 536 C TYR A 543 7.554 2.528 2.494 1.00 0.00 C ATOM 537 O TYR A 543 6.335 2.360 2.530 1.00 0.00 O ATOM 538 CB TYR A 543 9.514 4.017 3.058 1.00 0.00 C ATOM 539 CG TYR A 543 10.827 3.346 3.402 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.990 1.972 3.265 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.907 4.090 3.860 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.189 1.361 3.574 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.110 3.486 4.172 1.00 0.00 C ATOM 544 CZ TYR A 543 13.246 2.123 4.027 1.00 0.00 C ATOM 545 OH TYR A 543 14.442 1.517 4.337 1.00 0.00 O ATOM 0 H TYR A 543 8.685 1.449 4.524 1.00 0.00 H new ATOM 0 HA TYR A 543 7.568 4.046 3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.427 4.084 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.531 5.038 3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.165 1.372 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.805 5.159 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.299 0.292 3.462 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.939 4.079 4.528 1.00 0.00 H new ATOM 0 HH TYR A 543 15.083 2.194 4.640 1.00 0.00 H new ATOM 555 N ILE A 544 8.313 2.086 1.493 1.00 0.00 N ATOM 556 CA ILE A 544 7.752 1.367 0.354 1.00 0.00 C ATOM 557 C ILE A 544 7.174 0.011 0.748 1.00 0.00 C ATOM 558 O ILE A 544 5.987 -0.238 0.565 1.00 0.00 O ATOM 559 CB ILE A 544 8.816 1.164 -0.736 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.489 2.498 -1.064 1.00 0.00 C ATOM 561 CG2 ILE A 544 8.195 0.551 -1.980 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.913 2.599 -0.555 1.00 0.00 C ATOM 0 H ILE A 544 9.324 2.215 1.449 1.00 0.00 H new ATOM 0 HA ILE A 544 6.938 1.982 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 544 9.574 0.475 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.487 2.641 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.900 3.308 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.963 0.415 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.757 -0.415 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 544 7.419 1.213 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.327 3.571 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.921 2.488 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.517 1.811 -1.004 1.00 0.00 H new ATOM 574 N GLU A 545 8.019 -0.864 1.278 1.00 0.00 N ATOM 575 CA GLU A 545 7.586 -2.201 1.686 1.00 0.00 C ATOM 576 C GLU A 545 6.827 -2.900 0.561 1.00 0.00 C ATOM 577 O GLU A 545 6.692 -2.363 -0.539 1.00 0.00 O ATOM 578 CB GLU A 545 6.701 -2.143 2.941 1.00 0.00 C ATOM 579 CG GLU A 545 6.721 -0.808 3.672 1.00 0.00 C ATOM 580 CD GLU A 545 5.600 -0.688 4.684 1.00 0.00 C ATOM 581 OE1 GLU A 545 5.107 -1.736 5.152 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.214 0.455 5.009 1.00 0.00 O ATOM 0 H GLU A 545 9.009 -0.675 1.437 1.00 0.00 H new ATOM 0 HA GLU A 545 8.485 -2.772 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.674 -2.370 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.020 -2.924 3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.679 -0.688 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.641 0.002 2.947 1.00 0.00 H new ATOM 589 N GLY A 546 6.321 -4.094 0.853 1.00 0.00 N ATOM 590 CA GLY A 546 5.567 -4.843 -0.135 1.00 0.00 C ATOM 591 C GLY A 546 4.112 -4.422 -0.160 1.00 0.00 C ATOM 592 O GLY A 546 3.255 -5.088 0.422 1.00 0.00 O ATOM 0 H GLY A 546 6.420 -4.556 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.007 -4.693 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.635 -5.908 0.085 1.00 0.00 H new ATOM 596 N LEU A 547 3.837 -3.301 -0.814 1.00 0.00 N ATOM 597 CA LEU A 547 2.482 -2.770 -0.891 1.00 0.00 C ATOM 598 C LEU A 547 2.217 -2.115 -2.239 1.00 0.00 C ATOM 599 O LEU A 547 1.492 -1.126 -2.323 1.00 0.00 O ATOM 600 CB LEU A 547 2.279 -1.747 0.223 1.00 0.00 C ATOM 601 CG LEU A 547 3.214 -0.541 0.147 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.643 0.520 -0.782 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.467 0.030 1.533 1.00 0.00 C ATOM 0 H LEU A 547 4.537 -2.740 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 547 1.782 -3.598 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.248 -1.395 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.420 -2.241 1.184 1.00 0.00 H new ATOM 0 HG LEU A 547 4.169 -0.871 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.323 1.371 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.523 0.102 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.673 0.848 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 547 4.135 0.888 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.522 0.344 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.926 -0.732 2.162 1.00 0.00 H new ATOM 615 N MET A 548 2.792 -2.665 -3.299 1.00 0.00 N ATOM 616 CA MET A 548 2.600 -2.111 -4.636 1.00 0.00 C ATOM 617 C MET A 548 1.171 -2.306 -5.127 1.00 0.00 C ATOM 618 O MET A 548 0.938 -2.539 -6.313 1.00 0.00 O ATOM 619 CB MET A 548 3.562 -2.746 -5.627 1.00 0.00 C ATOM 620 CG MET A 548 4.973 -2.924 -5.089 1.00 0.00 C ATOM 621 SD MET A 548 5.497 -4.650 -5.065 1.00 0.00 S ATOM 622 CE MET A 548 5.116 -5.090 -3.373 1.00 0.00 C ATOM 0 H MET A 548 3.392 -3.489 -3.263 1.00 0.00 H new ATOM 0 HA MET A 548 2.801 -1.042 -4.569 1.00 0.00 H new ATOM 0 HB2 MET A 548 3.172 -3.719 -5.924 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.601 -2.130 -6.526 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.666 -2.347 -5.701 1.00 0.00 H new ATOM 0 HG3 MET A 548 5.026 -2.518 -4.079 1.00 0.00 H new ATOM 0 HE1 MET A 548 5.820 -5.847 -3.026 1.00 0.00 H new ATOM 0 HE2 MET A 548 5.193 -4.205 -2.741 1.00 0.00 H new ATOM 0 HE3 MET A 548 4.102 -5.486 -3.320 1.00 0.00 H new ATOM 632 N HIS A 549 0.218 -2.187 -4.218 1.00 0.00 N ATOM 633 CA HIS A 549 -1.187 -2.324 -4.562 1.00 0.00 C ATOM 634 C HIS A 549 -1.860 -0.961 -4.498 1.00 0.00 C ATOM 635 O HIS A 549 -2.933 -0.755 -5.065 1.00 0.00 O ATOM 636 CB HIS A 549 -1.883 -3.302 -3.610 1.00 0.00 C ATOM 637 CG HIS A 549 -1.008 -4.432 -3.162 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.728 -4.686 -1.836 1.00 0.00 N ATOM 639 CD2 HIS A 549 -0.344 -5.375 -3.872 1.00 0.00 C ATOM 640 CE1 HIS A 549 0.071 -5.735 -1.751 1.00 0.00 C ATOM 641 NE2 HIS A 549 0.319 -6.172 -2.971 1.00 0.00 N ATOM 0 H HIS A 549 0.393 -1.995 -3.232 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.266 -2.720 -5.575 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.233 -2.756 -2.734 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.765 -3.711 -4.104 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -0.337 -5.481 -4.947 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.456 -6.163 -0.837 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.907 -6.971 -3.207 1.00 0.00 H new ATOM 650 N ASN A 550 -1.205 -0.028 -3.808 1.00 0.00 N ATOM 651 CA ASN A 550 -1.712 1.337 -3.662 1.00 0.00 C ATOM 652 C ASN A 550 -2.995 1.396 -2.829 1.00 0.00 C ATOM 653 O ASN A 550 -3.183 2.328 -2.051 1.00 0.00 O ATOM 654 CB ASN A 550 -1.938 1.966 -5.038 1.00 0.00 C ATOM 655 CG ASN A 550 -0.706 1.875 -5.920 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.810 1.660 -7.127 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.470 2.042 -5.320 1.00 0.00 N ATOM 0 H ASN A 550 -0.315 -0.194 -3.338 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.956 1.908 -3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.773 1.468 -5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.219 3.012 -4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.331 1.994 -5.864 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.510 2.218 -4.316 1.00 0.00 H new ATOM 664 N GLN A 551 -3.871 0.406 -2.990 1.00 0.00 N ATOM 665 CA GLN A 551 -5.127 0.349 -2.249 1.00 0.00 C ATOM 666 C GLN A 551 -6.183 1.247 -2.874 1.00 0.00 C ATOM 667 O GLN A 551 -5.978 2.447 -3.056 1.00 0.00 O ATOM 668 CB GLN A 551 -4.921 0.706 -0.780 1.00 0.00 C ATOM 669 CG GLN A 551 -3.721 0.008 -0.168 1.00 0.00 C ATOM 670 CD GLN A 551 -3.784 -0.051 1.346 1.00 0.00 C ATOM 671 OE1 GLN A 551 -4.287 -1.016 1.920 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.267 0.982 2.001 1.00 0.00 N ATOM 0 H GLN A 551 -3.731 -0.373 -3.633 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.486 -0.679 -2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.794 1.785 -0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.816 0.441 -0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.655 -1.005 -0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.812 0.528 -0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -2.860 1.761 1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.277 0.996 3.021 1.00 0.00 H new ATOM 681 N ASP A 552 -7.312 0.638 -3.204 1.00 0.00 N ATOM 682 CA ASP A 552 -8.427 1.348 -3.822 1.00 0.00 C ATOM 683 C ASP A 552 -9.768 0.705 -3.459 1.00 0.00 C ATOM 684 O ASP A 552 -10.538 0.319 -4.339 1.00 0.00 O ATOM 685 CB ASP A 552 -8.256 1.375 -5.342 1.00 0.00 C ATOM 686 CG ASP A 552 -8.698 2.691 -5.951 1.00 0.00 C ATOM 687 OD1 ASP A 552 -8.400 3.749 -5.359 1.00 0.00 O ATOM 688 OD2 ASP A 552 -9.345 2.664 -7.019 1.00 0.00 O ATOM 0 H ASP A 552 -7.483 -0.356 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.427 2.369 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -7.210 1.196 -5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.832 0.562 -5.784 1.00 0.00 H new ATOM 693 N GLY A 553 -10.045 0.597 -2.161 1.00 0.00 N ATOM 694 CA GLY A 553 -11.297 0.009 -1.719 1.00 0.00 C ATOM 695 C GLY A 553 -11.327 -1.500 -1.874 1.00 0.00 C ATOM 696 O GLY A 553 -12.309 -2.061 -2.359 1.00 0.00 O ATOM 0 H GLY A 553 -9.427 0.905 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.464 0.265 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -12.118 0.444 -2.288 1.00 0.00 H new ATOM 700 N LEU A 554 -10.252 -2.158 -1.458 1.00 0.00 N ATOM 701 CA LEU A 554 -10.163 -3.612 -1.551 1.00 0.00 C ATOM 702 C LEU A 554 -10.233 -4.256 -0.170 1.00 0.00 C ATOM 703 O LEU A 554 -10.529 -5.445 -0.044 1.00 0.00 O ATOM 704 CB LEU A 554 -8.864 -4.021 -2.246 1.00 0.00 C ATOM 705 CG LEU A 554 -8.608 -3.344 -3.593 1.00 0.00 C ATOM 706 CD1 LEU A 554 -7.370 -3.930 -4.254 1.00 0.00 C ATOM 707 CD2 LEU A 554 -9.820 -3.489 -4.502 1.00 0.00 C ATOM 0 H LEU A 554 -9.430 -1.710 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 554 -11.012 -3.962 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -8.029 -3.800 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.875 -5.101 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 554 -8.436 -2.282 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -7.201 -3.438 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.505 -3.775 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -7.515 -4.998 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -9.620 -3.001 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -10.024 -4.546 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -10.686 -3.023 -4.031 1.00 0.00 H new ATOM 719 N ILE A 555 -9.953 -3.469 0.864 1.00 0.00 N ATOM 720 CA ILE A 555 -9.977 -3.969 2.232 1.00 0.00 C ATOM 721 C ILE A 555 -11.156 -3.390 3.013 1.00 0.00 C ATOM 722 O ILE A 555 -11.615 -3.979 3.991 1.00 0.00 O ATOM 723 CB ILE A 555 -8.662 -3.648 2.970 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.454 -3.879 2.054 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.542 -4.502 4.220 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.551 -2.672 1.930 1.00 0.00 C ATOM 0 H ILE A 555 -9.707 -2.483 0.779 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.091 -5.051 2.173 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.678 -2.597 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.874 -4.719 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.809 -4.161 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.610 -4.267 4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.383 -4.297 4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.548 -5.556 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.718 -2.907 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.116 -1.835 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.167 -2.402 2.914 1.00 0.00 H new ATOM 738 N CYS A 556 -11.646 -2.233 2.570 1.00 0.00 N ATOM 739 CA CYS A 556 -12.776 -1.572 3.220 1.00 0.00 C ATOM 740 C CYS A 556 -14.107 -2.151 2.759 1.00 0.00 C ATOM 741 O CYS A 556 -15.136 -1.477 2.802 1.00 0.00 O ATOM 742 CB CYS A 556 -12.739 -0.064 2.942 1.00 0.00 C ATOM 743 SG CYS A 556 -13.811 0.949 4.024 1.00 0.00 S ATOM 0 H CYS A 556 -11.277 -1.733 1.761 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.687 -1.746 4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.711 0.284 3.046 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.030 0.106 1.905 1.00 0.00 H new ATOM 748 N GLY A 557 -14.082 -3.401 2.325 1.00 0.00 N ATOM 749 CA GLY A 557 -15.279 -4.051 1.870 1.00 0.00 C ATOM 750 C GLY A 557 -14.954 -5.290 1.081 1.00 0.00 C ATOM 751 O GLY A 557 -14.255 -6.179 1.564 1.00 0.00 O ATOM 0 H GLY A 557 -13.241 -3.977 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.902 -4.313 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.858 -3.364 1.253 1.00 0.00 H new ATOM 755 N LEU A 558 -15.450 -5.341 -0.137 1.00 0.00 N ATOM 756 CA LEU A 558 -15.212 -6.479 -1.010 1.00 0.00 C ATOM 757 C LEU A 558 -15.293 -6.058 -2.475 1.00 0.00 C ATOM 758 O LEU A 558 -14.520 -6.527 -3.311 1.00 0.00 O ATOM 759 CB LEU A 558 -16.219 -7.596 -0.715 1.00 0.00 C ATOM 760 CG LEU A 558 -17.037 -7.432 0.575 1.00 0.00 C ATOM 761 CD1 LEU A 558 -18.328 -8.229 0.489 1.00 0.00 C ATOM 762 CD2 LEU A 558 -16.221 -7.860 1.791 1.00 0.00 C ATOM 0 H LEU A 558 -16.024 -4.606 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.208 -6.858 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.910 -7.668 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.680 -8.542 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 558 -17.289 -6.378 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.896 -8.102 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -18.920 -7.873 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -18.095 -9.285 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -16.820 -7.735 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.935 -8.907 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -15.325 -7.244 1.863 1.00 0.00 H new ATOM 774 N ARG A 559 -16.231 -5.165 -2.777 1.00 0.00 N ATOM 775 CA ARG A 559 -16.412 -4.673 -4.137 1.00 0.00 C ATOM 776 C ARG A 559 -16.661 -3.167 -4.137 1.00 0.00 C ATOM 777 O ARG A 559 -17.562 -2.676 -4.818 1.00 0.00 O ATOM 778 CB ARG A 559 -17.578 -5.395 -4.813 1.00 0.00 C ATOM 779 CG ARG A 559 -18.793 -5.563 -3.916 1.00 0.00 C ATOM 780 CD ARG A 559 -20.073 -5.683 -4.728 1.00 0.00 C ATOM 781 NE ARG A 559 -20.386 -7.072 -5.053 1.00 0.00 N ATOM 782 CZ ARG A 559 -21.422 -7.443 -5.801 1.00 0.00 C ATOM 783 NH1 ARG A 559 -22.246 -6.532 -6.304 1.00 0.00 N ATOM 784 NH2 ARG A 559 -21.635 -8.728 -6.049 1.00 0.00 N ATOM 0 H ARG A 559 -16.878 -4.767 -2.096 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.499 -4.875 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.869 -4.840 -5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.243 -6.378 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -18.669 -6.451 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.868 -4.711 -3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -20.900 -5.246 -4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -19.973 -5.109 -5.649 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.774 -7.801 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -22.087 -5.542 -6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -23.039 -6.822 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.005 -9.433 -5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -22.429 -9.012 -6.622 1.00 0.00 H new ATOM 798 N GLN A 560 -15.857 -2.438 -3.366 1.00 0.00 N ATOM 799 CA GLN A 560 -15.989 -0.984 -3.272 1.00 0.00 C ATOM 800 C GLN A 560 -16.112 -0.352 -4.657 1.00 0.00 C ATOM 801 O GLN A 560 -15.272 -0.663 -5.526 1.00 0.00 O ATOM 802 CB GLN A 560 -14.788 -0.379 -2.534 1.00 0.00 C ATOM 803 CG GLN A 560 -14.670 -0.800 -1.072 1.00 0.00 C ATOM 804 CD GLN A 560 -16.016 -0.952 -0.386 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.637 -2.114 -0.557 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.489 -0.037 0.289 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -17.051 0.447 -4.860 1.00 0.00 O ATOM 0 H GLN A 560 -15.107 -2.830 -2.797 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.898 -0.771 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.875 -0.664 -3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.857 0.708 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.131 -1.746 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.076 -0.061 -0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.976 0.838 0.392 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.394 -0.155 0.745 1.00 0.00 H new