USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 521 GLN : amide:sc= -9.22! C(o=-12!,f=-15!) USER MOD Set 1.2: A 550 ASN : amide:sc= -3.05 K(o=-12,f=-13!) USER MOD Set 2.1: A 512 ASN :FLIP amide:sc= -0.26 F(o=-2.7,f=-0.29) USER MOD Set 2.2: A 516 HIS :FLIP no HD1:sc= -0.0253 X(o=-0.44,f=-0.29) USER MOD Single : A 508 GLN : amide:sc= -1.8 X(o=-1.8,f=-2.3) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -4.47! C(o=-4.5!,f=-6.2!) 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 -40:sc= -1.32! 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 -159:sc= -4.47! (180deg=-6.59!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 551 GLN :FLIP amide:sc= -1.99 F(o=-2.9,f=-2) USER MOD Single : A 560 GLN :FLIP amide:sc= -0.754 F(o=-2.6,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -10.724 -10.740 -1.302 1.00 0.00 N ATOM 2 CA ALA A 507 -11.532 -9.923 -0.360 1.00 0.00 C ATOM 3 C ALA A 507 -10.960 -9.993 1.052 1.00 0.00 C ATOM 4 O ALA A 507 -10.204 -10.908 1.381 1.00 0.00 O ATOM 5 CB ALA A 507 -12.981 -10.388 -0.367 1.00 0.00 C ATOM 0 HA ALA A 507 -11.494 -8.885 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.561 -9.781 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.392 -10.283 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -13.029 -11.433 -0.062 1.00 0.00 H new ATOM 13 N GLN A 508 -11.325 -9.022 1.882 1.00 0.00 N ATOM 14 CA GLN A 508 -10.846 -8.973 3.259 1.00 0.00 C ATOM 15 C GLN A 508 -11.444 -7.777 4.000 1.00 0.00 C ATOM 16 O GLN A 508 -11.404 -6.651 3.507 1.00 0.00 O ATOM 17 CB GLN A 508 -9.319 -8.892 3.287 1.00 0.00 C ATOM 18 CG GLN A 508 -8.742 -7.937 2.254 1.00 0.00 C ATOM 19 CD GLN A 508 -7.226 -7.930 2.249 1.00 0.00 C ATOM 20 OE1 GLN A 508 -6.588 -8.680 2.989 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.640 -7.081 1.413 1.00 0.00 N ATOM 0 H GLN A 508 -11.951 -8.258 1.626 1.00 0.00 H new ATOM 0 HA GLN A 508 -11.164 -9.887 3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.998 -8.577 4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.907 -9.887 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.104 -8.216 1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -9.106 -6.929 2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.208 -6.478 0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.622 -7.032 1.366 1.00 0.00 H new ATOM 30 N PRO A 509 -12.016 -8.007 5.196 1.00 0.00 N ATOM 31 CA PRO A 509 -12.630 -6.954 6.002 1.00 0.00 C ATOM 32 C PRO A 509 -11.642 -6.299 6.960 1.00 0.00 C ATOM 33 O PRO A 509 -11.153 -6.928 7.899 1.00 0.00 O ATOM 34 CB PRO A 509 -13.666 -7.738 6.783 1.00 0.00 C ATOM 35 CG PRO A 509 -12.937 -8.989 7.105 1.00 0.00 C ATOM 36 CD PRO A 509 -12.127 -9.316 5.871 1.00 0.00 C ATOM 0 HA PRO A 509 -13.021 -6.133 5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.984 -7.209 7.682 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.562 -7.930 6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.292 -8.854 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.630 -9.796 7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -11.149 -9.724 6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -12.626 -10.054 5.243 1.00 0.00 H new ATOM 44 N LYS A 510 -11.362 -5.033 6.718 1.00 0.00 N ATOM 45 CA LYS A 510 -10.437 -4.271 7.557 1.00 0.00 C ATOM 46 C LYS A 510 -10.753 -2.780 7.509 1.00 0.00 C ATOM 47 O LYS A 510 -10.903 -2.127 8.542 1.00 0.00 O ATOM 48 CB LYS A 510 -8.993 -4.516 7.116 1.00 0.00 C ATOM 49 CG LYS A 510 -8.325 -5.671 7.842 1.00 0.00 C ATOM 50 CD LYS A 510 -7.010 -6.057 7.185 1.00 0.00 C ATOM 51 CE LYS A 510 -6.857 -7.566 7.084 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.627 -8.192 8.417 1.00 0.00 N ATOM 0 H LYS A 510 -11.761 -4.502 5.944 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.557 -4.613 8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.977 -4.713 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.412 -3.609 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.146 -5.394 8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.994 -6.531 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.958 -5.618 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.181 -5.644 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -7.753 -7.992 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -6.023 -7.803 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.528 -9.221 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -5.758 -7.804 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -7.434 -7.988 9.040 1.00 0.00 H new ATOM 66 N CYS A 511 -10.857 -2.267 6.296 1.00 0.00 N ATOM 67 CA CYS A 511 -11.166 -0.860 6.045 1.00 0.00 C ATOM 68 C CYS A 511 -9.960 0.041 6.247 1.00 0.00 C ATOM 69 O CYS A 511 -10.066 1.132 6.807 1.00 0.00 O ATOM 70 CB CYS A 511 -12.353 -0.386 6.891 1.00 0.00 C ATOM 71 SG CYS A 511 -13.916 -0.266 5.956 1.00 0.00 S ATOM 0 H CYS A 511 -10.729 -2.816 5.446 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.449 -0.787 4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.491 -1.073 7.726 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.118 0.590 7.317 1.00 0.00 H new ATOM 76 N ASN A 512 -8.821 -0.404 5.738 1.00 0.00 N ATOM 77 CA ASN A 512 -7.600 0.377 5.810 1.00 0.00 C ATOM 78 C ASN A 512 -6.919 0.458 4.438 1.00 0.00 C ATOM 79 O ASN A 512 -5.692 0.517 4.358 1.00 0.00 O ATOM 80 CB ASN A 512 -6.631 -0.217 6.835 1.00 0.00 C ATOM 81 CG ASN A 512 -5.732 0.834 7.470 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.421 1.896 6.726 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -5.320 0.694 8.622 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.719 -1.304 5.270 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.872 1.384 6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.199 -0.723 7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.013 -0.973 6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -5.580 -0.133 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -4.719 1.405 9.039 1.00 0.00 H new ATOM 90 N PRO A 513 -7.697 0.461 3.331 1.00 0.00 N ATOM 91 CA PRO A 513 -7.132 0.534 1.982 1.00 0.00 C ATOM 92 C PRO A 513 -6.738 1.960 1.581 1.00 0.00 C ATOM 93 O PRO A 513 -5.680 2.448 1.980 1.00 0.00 O ATOM 94 CB PRO A 513 -8.274 0.011 1.116 1.00 0.00 C ATOM 95 CG PRO A 513 -9.499 0.469 1.825 1.00 0.00 C ATOM 96 CD PRO A 513 -9.176 0.387 3.295 1.00 0.00 C ATOM 0 HA PRO A 513 -6.206 -0.033 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.224 0.413 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.245 -1.075 1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.759 1.488 1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.353 -0.161 1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.632 1.205 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.542 -0.541 3.735 1.00 0.00 H new ATOM 104 N ASN A 514 -7.576 2.625 0.781 1.00 0.00 N ATOM 105 CA ASN A 514 -7.284 3.976 0.329 1.00 0.00 C ATOM 106 C ASN A 514 -7.641 5.020 1.389 1.00 0.00 C ATOM 107 O ASN A 514 -7.539 6.220 1.144 1.00 0.00 O ATOM 108 CB ASN A 514 -8.029 4.265 -0.977 1.00 0.00 C ATOM 109 CG ASN A 514 -9.518 4.484 -0.774 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.931 5.376 -0.033 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.331 3.671 -1.436 1.00 0.00 N ATOM 0 H ASN A 514 -8.458 2.246 0.437 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.210 4.044 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.598 5.149 -1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.880 3.433 -1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.342 3.772 -1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.945 2.945 -2.040 1.00 0.00 H new ATOM 118 N LEU A 515 -8.053 4.563 2.564 1.00 0.00 N ATOM 119 CA LEU A 515 -8.409 5.468 3.645 1.00 0.00 C ATOM 120 C LEU A 515 -7.257 5.581 4.634 1.00 0.00 C ATOM 121 O LEU A 515 -7.449 5.540 5.849 1.00 0.00 O ATOM 122 CB LEU A 515 -9.685 4.985 4.334 1.00 0.00 C ATOM 123 CG LEU A 515 -10.885 4.814 3.397 1.00 0.00 C ATOM 124 CD1 LEU A 515 -11.051 6.045 2.516 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.721 3.564 2.540 1.00 0.00 C ATOM 0 H LEU A 515 -8.148 3.573 2.791 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.600 6.460 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.481 4.032 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.950 5.694 5.118 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.783 4.699 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.908 5.907 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.213 6.922 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.151 6.188 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.583 3.459 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.814 3.650 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.648 2.688 3.184 1.00 0.00 H new ATOM 137 N HIS A 516 -6.056 5.723 4.082 1.00 0.00 N ATOM 138 CA HIS A 516 -4.833 5.845 4.869 1.00 0.00 C ATOM 139 C HIS A 516 -3.619 5.778 3.948 1.00 0.00 C ATOM 140 O HIS A 516 -2.608 6.439 4.182 1.00 0.00 O ATOM 141 CB HIS A 516 -4.751 4.740 5.928 1.00 0.00 C ATOM 142 CG HIS A 516 -4.530 5.257 7.315 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.812 6.314 7.764 1.00 0.00 N flip ATOM 144 CD2 HIS A 516 -5.083 4.670 8.434 1.00 0.00 C flip ATOM 145 CE1 HIS A 516 -3.942 6.343 9.130 1.00 0.00 C flip ATOM 146 NE2 HIS A 516 -4.714 5.342 9.510 1.00 0.00 N flip ATOM 0 H HIS A 516 -5.903 5.757 3.074 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.846 6.807 5.382 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.673 4.159 5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.940 4.059 5.669 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -5.719 3.797 8.431 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -3.486 7.068 9.788 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -4.980 5.124 10.470 1.00 0.00 H new ATOM 155 N TYR A 517 -3.740 4.969 2.895 1.00 0.00 N ATOM 156 CA TYR A 517 -2.673 4.790 1.908 1.00 0.00 C ATOM 157 C TYR A 517 -1.958 6.112 1.603 1.00 0.00 C ATOM 158 O TYR A 517 -0.735 6.153 1.468 1.00 0.00 O ATOM 159 CB TYR A 517 -3.253 4.181 0.621 1.00 0.00 C ATOM 160 CG TYR A 517 -3.937 5.182 -0.293 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.996 5.958 0.161 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.527 5.343 -1.610 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.626 6.866 -0.669 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.151 6.251 -2.447 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.200 7.009 -1.972 1.00 0.00 C ATOM 166 OH TYR A 517 -5.822 7.913 -2.802 1.00 0.00 O ATOM 0 H TYR A 517 -4.578 4.420 2.702 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.932 4.109 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.449 3.694 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.969 3.405 0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.333 5.850 1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.707 4.750 -1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.448 7.460 -0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.818 6.365 -3.468 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.399 7.890 -3.686 1.00 0.00 H new ATOM 176 N TRP A 518 -2.734 7.187 1.510 1.00 0.00 N ATOM 177 CA TRP A 518 -2.197 8.517 1.235 1.00 0.00 C ATOM 178 C TRP A 518 -1.339 8.997 2.398 1.00 0.00 C ATOM 179 O TRP A 518 -1.795 9.766 3.244 1.00 0.00 O ATOM 180 CB TRP A 518 -3.346 9.500 1.008 1.00 0.00 C ATOM 181 CG TRP A 518 -4.460 9.328 1.998 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.359 8.806 3.257 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.837 9.662 1.811 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.589 8.796 3.862 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.515 9.319 2.997 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.563 10.219 0.757 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.884 9.517 3.156 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.923 10.415 0.916 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.570 10.066 2.107 1.00 0.00 C ATOM 0 H TRP A 518 -3.748 7.163 1.622 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.578 8.464 0.340 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.964 10.519 1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.738 9.368 -0.000 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.444 8.453 3.709 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.784 8.455 4.803 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -6.072 10.492 -0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.386 9.247 4.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.495 10.845 0.107 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.633 10.233 2.200 1.00 0.00 H new ATOM 200 N THR A 519 -0.100 8.530 2.449 1.00 0.00 N ATOM 201 CA THR A 519 0.802 8.904 3.528 1.00 0.00 C ATOM 202 C THR A 519 2.230 8.496 3.206 1.00 0.00 C ATOM 203 O THR A 519 3.143 9.321 3.202 1.00 0.00 O ATOM 204 CB THR A 519 0.343 8.231 4.815 1.00 0.00 C ATOM 205 OG1 THR A 519 1.303 8.391 5.844 1.00 0.00 O ATOM 206 CG2 THR A 519 0.076 6.751 4.651 1.00 0.00 C ATOM 0 H THR A 519 0.302 7.895 1.760 1.00 0.00 H new ATOM 0 HA THR A 519 0.781 9.987 3.649 1.00 0.00 H new ATOM 0 HB THR A 519 -0.592 8.724 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.984 7.952 6.660 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.247 6.332 5.604 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.705 6.603 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.988 6.251 4.325 1.00 0.00 H new ATOM 214 N THR A 520 2.405 7.216 2.923 1.00 0.00 N ATOM 215 CA THR A 520 3.708 6.676 2.577 1.00 0.00 C ATOM 216 C THR A 520 3.634 5.965 1.231 1.00 0.00 C ATOM 217 O THR A 520 4.650 5.521 0.696 1.00 0.00 O ATOM 218 CB THR A 520 4.204 5.720 3.665 1.00 0.00 C ATOM 219 OG1 THR A 520 5.568 5.401 3.462 1.00 0.00 O ATOM 220 CG2 THR A 520 3.433 4.417 3.729 1.00 0.00 C ATOM 0 H THR A 520 1.653 6.527 2.927 1.00 0.00 H new ATOM 0 HA THR A 520 4.419 7.499 2.502 1.00 0.00 H new ATOM 0 HB THR A 520 4.053 6.253 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.737 5.280 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.841 3.791 4.523 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.383 4.625 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.520 3.896 2.776 1.00 0.00 H new ATOM 228 N GLN A 521 2.423 5.869 0.681 1.00 0.00 N ATOM 229 CA GLN A 521 2.225 5.226 -0.603 1.00 0.00 C ATOM 230 C GLN A 521 2.210 6.272 -1.714 1.00 0.00 C ATOM 231 O GLN A 521 2.749 6.065 -2.799 1.00 0.00 O ATOM 232 CB GLN A 521 0.928 4.403 -0.598 1.00 0.00 C ATOM 233 CG GLN A 521 -0.296 5.161 -1.085 1.00 0.00 C ATOM 234 CD GLN A 521 -0.383 5.208 -2.595 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.228 4.192 -3.269 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.632 6.394 -3.132 1.00 0.00 N ATOM 0 H GLN A 521 1.571 6.230 1.110 1.00 0.00 H new ATOM 0 HA GLN A 521 3.053 4.542 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.068 3.522 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.741 4.047 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.194 4.689 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.270 6.178 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.754 7.210 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.702 6.491 -4.145 1.00 0.00 H new ATOM 245 N ASP A 522 1.605 7.404 -1.414 1.00 0.00 N ATOM 246 CA ASP A 522 1.525 8.513 -2.359 1.00 0.00 C ATOM 247 C ASP A 522 2.743 9.421 -2.224 1.00 0.00 C ATOM 248 O ASP A 522 2.848 10.453 -2.886 1.00 0.00 O ATOM 249 CB ASP A 522 0.249 9.318 -2.125 1.00 0.00 C ATOM 250 CG ASP A 522 -0.529 9.558 -3.404 1.00 0.00 C ATOM 251 OD1 ASP A 522 -0.410 8.734 -4.335 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.256 10.571 -3.475 1.00 0.00 O ATOM 0 H ASP A 522 1.156 7.586 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 522 1.505 8.102 -3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.384 8.790 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.506 10.277 -1.674 1.00 0.00 H new ATOM 257 N GLU A 523 3.654 9.015 -1.355 1.00 0.00 N ATOM 258 CA GLU A 523 4.878 9.757 -1.098 1.00 0.00 C ATOM 259 C GLU A 523 6.058 8.797 -1.057 1.00 0.00 C ATOM 260 O GLU A 523 7.198 9.171 -1.334 1.00 0.00 O ATOM 261 CB GLU A 523 4.766 10.520 0.223 1.00 0.00 C ATOM 262 CG GLU A 523 3.332 10.858 0.603 1.00 0.00 C ATOM 263 CD GLU A 523 3.231 12.104 1.460 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.298 11.977 2.701 1.00 0.00 O ATOM 265 OE2 GLU A 523 3.083 13.206 0.892 1.00 0.00 O ATOM 0 H GLU A 523 3.566 8.160 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 523 5.035 10.478 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.214 9.924 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.343 11.442 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.744 10.997 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.895 10.016 1.140 1.00 0.00 H new ATOM 272 N GLY A 524 5.759 7.548 -0.720 1.00 0.00 N ATOM 273 CA GLY A 524 6.774 6.522 -0.659 1.00 0.00 C ATOM 274 C GLY A 524 6.530 5.432 -1.685 1.00 0.00 C ATOM 275 O GLY A 524 7.464 4.763 -2.125 1.00 0.00 O ATOM 0 H GLY A 524 4.819 7.228 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.754 6.969 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.791 6.085 0.339 1.00 0.00 H new ATOM 279 N ALA A 525 5.266 5.264 -2.078 1.00 0.00 N ATOM 280 CA ALA A 525 4.900 4.262 -3.070 1.00 0.00 C ATOM 281 C ALA A 525 4.568 4.922 -4.402 1.00 0.00 C ATOM 282 O ALA A 525 3.887 4.345 -5.250 1.00 0.00 O ATOM 283 CB ALA A 525 3.725 3.428 -2.574 1.00 0.00 C ATOM 0 H ALA A 525 4.482 5.811 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 525 5.752 3.599 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.464 2.684 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.001 2.925 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 525 2.869 4.077 -2.393 1.00 0.00 H new ATOM 289 N ALA A 526 5.055 6.144 -4.564 1.00 0.00 N ATOM 290 CA ALA A 526 4.821 6.919 -5.778 1.00 0.00 C ATOM 291 C ALA A 526 6.073 7.675 -6.224 1.00 0.00 C ATOM 292 O ALA A 526 6.068 8.341 -7.259 1.00 0.00 O ATOM 293 CB ALA A 526 3.682 7.897 -5.550 1.00 0.00 C ATOM 0 H ALA A 526 5.620 6.625 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 526 4.558 6.220 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.510 8.474 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.777 7.347 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.940 8.573 -4.735 1.00 0.00 H new ATOM 299 N ILE A 527 7.134 7.584 -5.432 1.00 0.00 N ATOM 300 CA ILE A 527 8.379 8.271 -5.735 1.00 0.00 C ATOM 301 C ILE A 527 9.576 7.481 -5.211 1.00 0.00 C ATOM 302 O ILE A 527 10.612 7.395 -5.869 1.00 0.00 O ATOM 303 CB ILE A 527 8.399 9.686 -5.116 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.378 9.787 -3.971 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.137 10.739 -6.186 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.010 10.288 -4.389 1.00 0.00 C ATOM 0 H ILE A 527 7.155 7.038 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 527 8.447 8.355 -6.820 1.00 0.00 H new ATOM 0 HB ILE A 527 9.389 9.872 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.266 8.804 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.776 10.452 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.154 11.730 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 527 8.908 10.677 -6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.161 10.564 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.355 10.327 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.103 11.286 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.586 9.612 -5.132 1.00 0.00 H new ATOM 318 N GLY A 528 9.425 6.907 -4.020 1.00 0.00 N ATOM 319 CA GLY A 528 10.496 6.134 -3.427 1.00 0.00 C ATOM 320 C GLY A 528 10.748 4.831 -4.161 1.00 0.00 C ATOM 321 O GLY A 528 11.614 4.761 -5.032 1.00 0.00 O ATOM 0 H GLY A 528 8.577 6.965 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.410 6.728 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.252 5.920 -2.387 1.00 0.00 H new ATOM 325 N LEU A 529 9.994 3.794 -3.805 1.00 0.00 N ATOM 326 CA LEU A 529 10.155 2.490 -4.441 1.00 0.00 C ATOM 327 C LEU A 529 8.797 1.823 -4.697 1.00 0.00 C ATOM 328 O LEU A 529 7.812 2.509 -4.971 1.00 0.00 O ATOM 329 CB LEU A 529 11.049 1.600 -3.575 1.00 0.00 C ATOM 330 CG LEU A 529 12.313 2.277 -3.045 1.00 0.00 C ATOM 331 CD1 LEU A 529 12.937 1.448 -1.934 1.00 0.00 C ATOM 332 CD2 LEU A 529 13.311 2.497 -4.171 1.00 0.00 C ATOM 0 H LEU A 529 9.272 3.830 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 529 10.632 2.633 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 529 10.466 1.239 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.340 0.726 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 529 12.037 3.248 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 529 13.836 1.946 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.224 1.340 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 529 13.199 0.462 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 529 14.205 2.980 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 529 13.581 1.537 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 529 12.863 3.132 -4.935 1.00 0.00 H new ATOM 344 N ALA A 530 8.765 0.483 -4.628 1.00 0.00 N ATOM 345 CA ALA A 530 7.550 -0.312 -4.869 1.00 0.00 C ATOM 346 C ALA A 530 7.629 -0.969 -6.239 1.00 0.00 C ATOM 347 O ALA A 530 7.327 -2.151 -6.402 1.00 0.00 O ATOM 348 CB ALA A 530 6.284 0.530 -4.761 1.00 0.00 C ATOM 0 H ALA A 530 9.584 -0.082 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 530 7.496 -1.079 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.413 -0.098 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.216 0.959 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.317 1.332 -5.498 1.00 0.00 H new ATOM 354 N TRP A 531 8.066 -0.184 -7.210 1.00 0.00 N ATOM 355 CA TRP A 531 8.231 -0.656 -8.583 1.00 0.00 C ATOM 356 C TRP A 531 9.439 -1.585 -8.669 1.00 0.00 C ATOM 357 O TRP A 531 9.525 -2.435 -9.555 1.00 0.00 O ATOM 358 CB TRP A 531 8.425 0.536 -9.528 1.00 0.00 C ATOM 359 CG TRP A 531 9.079 1.702 -8.859 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.309 1.718 -8.273 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.525 3.009 -8.676 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.556 2.954 -7.736 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.478 3.768 -7.974 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.318 3.613 -9.040 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.261 5.100 -7.626 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.104 4.934 -8.696 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.071 5.666 -7.996 1.00 0.00 C ATOM 0 H TRP A 531 8.317 0.795 -7.074 1.00 0.00 H new ATOM 0 HA TRP A 531 7.336 -1.203 -8.880 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.030 0.225 -10.380 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.456 0.844 -9.921 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.989 0.880 -8.237 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.405 3.225 -7.239 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.566 3.057 -9.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.005 5.665 -7.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.175 5.410 -8.972 1.00 0.00 H new ATOM 0 HH2 TRP A 531 7.874 6.697 -7.743 1.00 0.00 H new ATOM 378 N ILE A 532 10.372 -1.401 -7.738 1.00 0.00 N ATOM 379 CA ILE A 532 11.587 -2.197 -7.686 1.00 0.00 C ATOM 380 C ILE A 532 11.498 -3.268 -6.598 1.00 0.00 C ATOM 381 O ILE A 532 11.888 -3.033 -5.453 1.00 0.00 O ATOM 382 CB ILE A 532 12.803 -1.288 -7.416 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.071 -2.108 -7.179 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.529 -0.380 -6.225 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.288 -1.245 -6.955 1.00 0.00 C ATOM 0 H ILE A 532 10.304 -0.697 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 532 11.707 -2.692 -8.650 1.00 0.00 H new ATOM 0 HB ILE A 532 12.964 -0.673 -8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 532 13.925 -2.754 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.244 -2.758 -8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.396 0.256 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.659 0.242 -6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.336 -0.988 -5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.159 -1.880 -6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 532 15.455 -0.617 -7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 532 15.130 -0.614 -6.081 1.00 0.00 H new ATOM 397 N PRO A 533 10.985 -4.464 -6.939 1.00 0.00 N ATOM 398 CA PRO A 533 10.854 -5.568 -5.983 1.00 0.00 C ATOM 399 C PRO A 533 12.209 -6.112 -5.548 1.00 0.00 C ATOM 400 O PRO A 533 12.687 -7.115 -6.081 1.00 0.00 O ATOM 401 CB PRO A 533 10.076 -6.630 -6.766 1.00 0.00 C ATOM 402 CG PRO A 533 10.356 -6.327 -8.197 1.00 0.00 C ATOM 403 CD PRO A 533 10.499 -4.833 -8.282 1.00 0.00 C ATOM 0 HA PRO A 533 10.360 -5.256 -5.063 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.404 -7.635 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 533 9.009 -6.577 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.266 -6.826 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.546 -6.679 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.204 -4.540 -9.060 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.550 -4.350 -8.513 1.00 0.00 H new ATOM 411 N TYR A 534 12.829 -5.440 -4.584 1.00 0.00 N ATOM 412 CA TYR A 534 14.132 -5.849 -4.085 1.00 0.00 C ATOM 413 C TYR A 534 14.018 -6.521 -2.717 1.00 0.00 C ATOM 414 O TYR A 534 14.512 -7.630 -2.518 1.00 0.00 O ATOM 415 CB TYR A 534 15.059 -4.634 -3.998 1.00 0.00 C ATOM 416 CG TYR A 534 16.458 -4.958 -3.525 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.973 -6.243 -3.636 1.00 0.00 C ATOM 418 CD2 TYR A 534 17.262 -3.974 -2.965 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.253 -6.539 -3.203 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.543 -4.261 -2.531 1.00 0.00 C ATOM 421 CZ TYR A 534 19.033 -5.544 -2.652 1.00 0.00 C ATOM 422 OH TYR A 534 20.307 -5.834 -2.221 1.00 0.00 O ATOM 0 H TYR A 534 12.447 -4.608 -4.133 1.00 0.00 H new ATOM 0 HA TYR A 534 14.550 -6.576 -4.781 1.00 0.00 H new ATOM 0 HB2 TYR A 534 15.119 -4.165 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.618 -3.902 -3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.364 -7.024 -4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.881 -2.968 -2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.639 -7.543 -3.296 1.00 0.00 H new ATOM 0 HE2 TYR A 534 19.157 -3.484 -2.099 1.00 0.00 H new ATOM 0 HH TYR A 534 20.723 -5.023 -1.860 1.00 0.00 H new ATOM 432 N PHE A 535 13.367 -5.841 -1.776 1.00 0.00 N ATOM 433 CA PHE A 535 13.195 -6.378 -0.428 1.00 0.00 C ATOM 434 C PHE A 535 11.716 -6.522 -0.079 1.00 0.00 C ATOM 435 O PHE A 535 11.307 -7.510 0.531 1.00 0.00 O ATOM 436 CB PHE A 535 13.895 -5.487 0.607 1.00 0.00 C ATOM 437 CG PHE A 535 13.962 -4.032 0.229 1.00 0.00 C ATOM 438 CD1 PHE A 535 14.728 -3.616 -0.848 1.00 0.00 C ATOM 439 CD2 PHE A 535 13.261 -3.083 0.955 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.794 -2.279 -1.194 1.00 0.00 C ATOM 441 CE2 PHE A 535 13.322 -1.746 0.614 1.00 0.00 C ATOM 442 CZ PHE A 535 14.090 -1.344 -0.461 1.00 0.00 C ATOM 0 H PHE A 535 12.951 -4.921 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 535 13.653 -7.367 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 535 13.374 -5.579 1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.909 -5.857 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 535 15.280 -4.344 -1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 535 12.660 -3.392 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 535 15.395 -1.967 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.770 -1.016 1.187 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.140 -0.299 -0.728 1.00 0.00 H new ATOM 452 N GLY A 536 10.918 -5.537 -0.480 1.00 0.00 N ATOM 453 CA GLY A 536 9.491 -5.576 -0.215 1.00 0.00 C ATOM 454 C GLY A 536 9.150 -5.566 1.270 1.00 0.00 C ATOM 455 O GLY A 536 9.318 -4.547 1.938 1.00 0.00 O ATOM 0 H GLY A 536 11.236 -4.710 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 536 9.017 -4.720 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.069 -6.471 -0.671 1.00 0.00 H new ATOM 459 N PRO A 537 8.646 -6.694 1.813 1.00 0.00 N ATOM 460 CA PRO A 537 8.260 -6.806 3.231 1.00 0.00 C ATOM 461 C PRO A 537 9.419 -6.612 4.211 1.00 0.00 C ATOM 462 O PRO A 537 9.218 -6.640 5.424 1.00 0.00 O ATOM 463 CB PRO A 537 7.708 -8.233 3.345 1.00 0.00 C ATOM 464 CG PRO A 537 8.281 -8.963 2.182 1.00 0.00 C ATOM 465 CD PRO A 537 8.395 -7.949 1.082 1.00 0.00 C ATOM 0 HA PRO A 537 7.550 -6.023 3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 537 8.004 -8.696 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 537 6.618 -8.238 3.316 1.00 0.00 H new ATOM 0 HG2 PRO A 537 9.255 -9.386 2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 537 7.639 -9.792 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.209 -8.187 0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.483 -7.894 0.487 1.00 0.00 H new ATOM 473 N ALA A 538 10.627 -6.420 3.695 1.00 0.00 N ATOM 474 CA ALA A 538 11.794 -6.226 4.548 1.00 0.00 C ATOM 475 C ALA A 538 11.796 -4.824 5.144 1.00 0.00 C ATOM 476 O ALA A 538 12.128 -4.634 6.314 1.00 0.00 O ATOM 477 CB ALA A 538 13.075 -6.477 3.767 1.00 0.00 C ATOM 0 H ALA A 538 10.824 -6.394 2.695 1.00 0.00 H new ATOM 0 HA ALA A 538 11.744 -6.945 5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 538 13.935 -6.327 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 538 13.078 -7.500 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 538 13.132 -5.783 2.928 1.00 0.00 H new ATOM 483 N ALA A 539 11.403 -3.847 4.335 1.00 0.00 N ATOM 484 CA ALA A 539 11.339 -2.463 4.782 1.00 0.00 C ATOM 485 C ALA A 539 10.238 -2.303 5.818 1.00 0.00 C ATOM 486 O ALA A 539 10.364 -1.525 6.764 1.00 0.00 O ATOM 487 CB ALA A 539 11.081 -1.545 3.601 1.00 0.00 C ATOM 0 H ALA A 539 11.124 -3.989 3.364 1.00 0.00 H new ATOM 0 HA ALA A 539 12.293 -2.193 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.035 -0.512 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.888 -1.650 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.134 -1.813 3.132 1.00 0.00 H new ATOM 493 N GLU A 540 9.165 -3.065 5.614 1.00 0.00 N ATOM 494 CA GLU A 540 7.988 -3.079 6.488 1.00 0.00 C ATOM 495 C GLU A 540 8.110 -2.147 7.702 1.00 0.00 C ATOM 496 O GLU A 540 8.287 -2.599 8.833 1.00 0.00 O ATOM 497 CB GLU A 540 7.726 -4.515 6.940 1.00 0.00 C ATOM 498 CG GLU A 540 8.752 -5.055 7.928 1.00 0.00 C ATOM 499 CD GLU A 540 8.127 -5.496 9.237 1.00 0.00 C ATOM 500 OE1 GLU A 540 7.455 -4.667 9.885 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.311 -6.672 9.616 1.00 0.00 O ATOM 0 H GLU A 540 9.085 -3.703 4.822 1.00 0.00 H new ATOM 0 HA GLU A 540 7.148 -2.697 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.737 -4.566 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 540 7.707 -5.162 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 540 9.275 -5.898 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.498 -4.286 8.127 1.00 0.00 H new ATOM 508 N GLY A 541 7.993 -0.842 7.461 1.00 0.00 N ATOM 509 CA GLY A 541 8.072 0.118 8.544 1.00 0.00 C ATOM 510 C GLY A 541 8.775 1.405 8.163 1.00 0.00 C ATOM 511 O GLY A 541 8.740 2.379 8.916 1.00 0.00 O ATOM 0 H GLY A 541 7.845 -0.436 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 541 7.064 0.352 8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 541 8.596 -0.337 9.385 1.00 0.00 H new ATOM 515 N ILE A 542 9.415 1.421 7.002 1.00 0.00 N ATOM 516 CA ILE A 542 10.122 2.611 6.548 1.00 0.00 C ATOM 517 C ILE A 542 9.281 3.407 5.561 1.00 0.00 C ATOM 518 O ILE A 542 9.334 4.637 5.540 1.00 0.00 O ATOM 519 CB ILE A 542 11.464 2.254 5.885 1.00 0.00 C ATOM 520 CG1 ILE A 542 12.229 1.239 6.736 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.297 3.509 5.668 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.853 0.130 5.923 1.00 0.00 C ATOM 0 H ILE A 542 9.460 0.629 6.361 1.00 0.00 H new ATOM 0 HA ILE A 542 10.313 3.217 7.433 1.00 0.00 H new ATOM 0 HB ILE A 542 11.262 1.802 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 542 13.011 1.757 7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.550 0.805 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.243 3.241 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 542 11.754 4.199 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.491 3.987 6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 542 13.380 -0.555 6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 542 12.073 -0.412 5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.557 0.555 5.207 1.00 0.00 H new ATOM 534 N TYR A 543 8.501 2.703 4.743 1.00 0.00 N ATOM 535 CA TYR A 543 7.648 3.364 3.753 1.00 0.00 C ATOM 536 C TYR A 543 6.953 2.356 2.830 1.00 0.00 C ATOM 537 O TYR A 543 5.916 1.794 3.185 1.00 0.00 O ATOM 538 CB TYR A 543 8.454 4.383 2.923 1.00 0.00 C ATOM 539 CG TYR A 543 9.929 4.056 2.782 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.371 2.741 2.685 1.00 0.00 C ATOM 541 CD2 TYR A 543 10.880 5.069 2.743 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.715 2.446 2.555 1.00 0.00 C ATOM 543 CE2 TYR A 543 12.225 4.782 2.613 1.00 0.00 C ATOM 544 CZ TYR A 543 12.638 3.470 2.520 1.00 0.00 C ATOM 545 OH TYR A 543 13.976 3.180 2.391 1.00 0.00 O ATOM 0 H TYR A 543 8.441 1.685 4.744 1.00 0.00 H new ATOM 0 HA TYR A 543 6.873 3.896 4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 543 8.014 4.451 1.928 1.00 0.00 H new ATOM 0 HB3 TYR A 543 8.355 5.366 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.651 1.936 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 543 10.562 6.099 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.041 1.419 2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 543 12.950 5.582 2.584 1.00 0.00 H new ATOM 0 HH TYR A 543 14.492 4.013 2.382 1.00 0.00 H new ATOM 555 N ILE A 544 7.516 2.143 1.639 1.00 0.00 N ATOM 556 CA ILE A 544 6.941 1.223 0.661 1.00 0.00 C ATOM 557 C ILE A 544 6.675 -0.152 1.259 1.00 0.00 C ATOM 558 O ILE A 544 5.527 -0.565 1.411 1.00 0.00 O ATOM 559 CB ILE A 544 7.863 1.060 -0.561 1.00 0.00 C ATOM 560 CG1 ILE A 544 8.384 2.424 -1.025 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.126 0.354 -1.686 1.00 0.00 C ATOM 562 CD1 ILE A 544 9.858 2.631 -0.750 1.00 0.00 C ATOM 0 H ILE A 544 8.374 2.599 1.329 1.00 0.00 H new ATOM 0 HA ILE A 544 5.993 1.662 0.350 1.00 0.00 H new ATOM 0 HB ILE A 544 8.719 0.449 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 544 8.204 2.528 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 544 7.816 3.210 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 544 7.790 0.245 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 544 6.805 -0.631 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.254 0.941 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 544 10.159 3.617 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.042 2.559 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 544 10.436 1.867 -1.270 1.00 0.00 H new ATOM 574 N GLU A 545 7.740 -0.861 1.598 1.00 0.00 N ATOM 575 CA GLU A 545 7.612 -2.192 2.179 1.00 0.00 C ATOM 576 C GLU A 545 7.088 -3.188 1.136 1.00 0.00 C ATOM 577 O GLU A 545 7.585 -3.227 0.011 1.00 0.00 O ATOM 578 CB GLU A 545 6.688 -2.139 3.400 1.00 0.00 C ATOM 579 CG GLU A 545 6.930 -0.936 4.295 1.00 0.00 C ATOM 580 CD GLU A 545 5.781 -0.682 5.254 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.710 -1.300 5.075 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.954 0.135 6.182 1.00 0.00 O ATOM 0 H GLU A 545 8.701 -0.540 1.482 1.00 0.00 H new ATOM 0 HA GLU A 545 8.595 -2.534 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.652 -2.126 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.821 -3.049 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.847 -1.090 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.084 -0.052 3.676 1.00 0.00 H new ATOM 589 N GLY A 546 6.081 -3.982 1.502 1.00 0.00 N ATOM 590 CA GLY A 546 5.519 -4.945 0.575 1.00 0.00 C ATOM 591 C GLY A 546 4.217 -4.457 -0.011 1.00 0.00 C ATOM 592 O GLY A 546 3.359 -5.250 -0.395 1.00 0.00 O ATOM 0 H GLY A 546 5.647 -3.973 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.231 -5.136 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.355 -5.892 1.088 1.00 0.00 H new ATOM 596 N LEU A 547 4.076 -3.142 -0.077 1.00 0.00 N ATOM 597 CA LEU A 547 2.882 -2.527 -0.618 1.00 0.00 C ATOM 598 C LEU A 547 3.137 -2.041 -2.040 1.00 0.00 C ATOM 599 O LEU A 547 4.027 -1.228 -2.291 1.00 0.00 O ATOM 600 CB LEU A 547 2.444 -1.359 0.265 1.00 0.00 C ATOM 601 CG LEU A 547 3.179 -0.060 -0.026 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.490 0.703 -1.149 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.292 0.796 1.225 1.00 0.00 C ATOM 0 H LEU A 547 4.782 -2.479 0.241 1.00 0.00 H new ATOM 0 HA LEU A 547 2.085 -3.271 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.374 -1.197 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.600 -1.627 1.310 1.00 0.00 H new ATOM 0 HG LEU A 547 4.190 -0.306 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.030 1.630 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.481 0.092 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.466 0.934 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.822 1.719 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.294 1.035 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.841 0.249 1.992 1.00 0.00 H new ATOM 615 N MET A 548 2.351 -2.550 -2.959 1.00 0.00 N ATOM 616 CA MET A 548 2.465 -2.182 -4.365 1.00 0.00 C ATOM 617 C MET A 548 1.093 -2.041 -5.015 1.00 0.00 C ATOM 618 O MET A 548 0.990 -1.830 -6.224 1.00 0.00 O ATOM 619 CB MET A 548 3.281 -3.226 -5.117 1.00 0.00 C ATOM 620 CG MET A 548 4.657 -3.470 -4.521 1.00 0.00 C ATOM 621 SD MET A 548 4.922 -5.193 -4.063 1.00 0.00 S ATOM 622 CE MET A 548 3.442 -5.514 -3.108 1.00 0.00 C ATOM 0 H MET A 548 1.615 -3.228 -2.763 1.00 0.00 H new ATOM 0 HA MET A 548 2.970 -1.217 -4.416 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.729 -4.166 -5.130 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.395 -2.908 -6.153 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.418 -3.168 -5.240 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.784 -2.841 -3.640 1.00 0.00 H new ATOM 0 HE1 MET A 548 3.608 -6.372 -2.456 1.00 0.00 H new ATOM 0 HE2 MET A 548 3.203 -4.640 -2.503 1.00 0.00 H new ATOM 0 HE3 MET A 548 2.613 -5.726 -3.783 1.00 0.00 H new ATOM 632 N HIS A 549 0.039 -2.153 -4.213 1.00 0.00 N ATOM 633 CA HIS A 549 -1.319 -2.031 -4.719 1.00 0.00 C ATOM 634 C HIS A 549 -1.834 -0.609 -4.533 1.00 0.00 C ATOM 635 O HIS A 549 -2.856 -0.231 -5.105 1.00 0.00 O ATOM 636 CB HIS A 549 -2.247 -3.019 -4.006 1.00 0.00 C ATOM 637 CG HIS A 549 -1.632 -4.367 -3.783 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.937 -5.048 -4.758 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.609 -5.159 -2.684 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.513 -6.201 -4.271 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.907 -6.292 -3.015 1.00 0.00 N ATOM 0 H HIS A 549 0.102 -2.328 -3.210 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.307 -2.263 -5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.540 -2.599 -3.044 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -3.158 -3.137 -4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -2.059 -4.940 -1.727 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.059 -6.943 -4.809 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -0.720 -7.077 -2.391 1.00 0.00 H new ATOM 650 N ASN A 550 -1.119 0.175 -3.724 1.00 0.00 N ATOM 651 CA ASN A 550 -1.495 1.566 -3.451 1.00 0.00 C ATOM 652 C ASN A 550 -2.749 1.653 -2.577 1.00 0.00 C ATOM 653 O ASN A 550 -2.865 2.553 -1.748 1.00 0.00 O ATOM 654 CB ASN A 550 -1.707 2.338 -4.758 1.00 0.00 C ATOM 655 CG ASN A 550 -0.403 2.637 -5.474 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.059 3.797 -5.703 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.331 1.590 -5.835 1.00 0.00 N ATOM 0 H ASN A 550 -0.272 -0.130 -3.244 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.672 2.022 -2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.355 1.760 -5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.223 3.274 -4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.216 1.731 -6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.009 0.645 -5.626 1.00 0.00 H new ATOM 664 N GLN A 551 -3.680 0.715 -2.765 1.00 0.00 N ATOM 665 CA GLN A 551 -4.922 0.671 -1.998 1.00 0.00 C ATOM 666 C GLN A 551 -6.004 1.534 -2.630 1.00 0.00 C ATOM 667 O GLN A 551 -5.817 2.726 -2.873 1.00 0.00 O ATOM 668 CB GLN A 551 -4.699 1.072 -0.543 1.00 0.00 C ATOM 669 CG GLN A 551 -3.500 0.387 0.081 1.00 0.00 C ATOM 670 CD GLN A 551 -3.703 0.071 1.551 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.535 1.076 2.401 1.00 0.00 O flip ATOM 672 NE2 GLN A 551 -4.008 -1.064 1.917 1.00 0.00 N flip ATOM 0 H GLN A 551 -3.592 -0.033 -3.453 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.265 -0.363 -2.014 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.564 2.152 -0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.591 0.831 0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.293 -0.537 -0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.623 1.025 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -4.127 -1.807 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -4.142 -1.261 2.909 1.00 0.00 H new ATOM 681 N ASP A 552 -7.136 0.899 -2.889 1.00 0.00 N ATOM 682 CA ASP A 552 -8.287 1.558 -3.499 1.00 0.00 C ATOM 683 C ASP A 552 -9.574 0.803 -3.165 1.00 0.00 C ATOM 684 O ASP A 552 -10.283 0.335 -4.057 1.00 0.00 O ATOM 685 CB ASP A 552 -8.100 1.650 -5.017 1.00 0.00 C ATOM 686 CG ASP A 552 -7.905 3.078 -5.489 1.00 0.00 C ATOM 687 OD1 ASP A 552 -6.746 3.544 -5.508 1.00 0.00 O ATOM 688 OD2 ASP A 552 -8.910 3.730 -5.840 1.00 0.00 O ATOM 0 H ASP A 552 -7.286 -0.089 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.365 2.567 -3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -7.238 1.052 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.970 1.221 -5.514 1.00 0.00 H new ATOM 693 N GLY A 553 -9.868 0.682 -1.871 1.00 0.00 N ATOM 694 CA GLY A 553 -11.063 -0.021 -1.446 1.00 0.00 C ATOM 695 C GLY A 553 -10.945 -1.522 -1.630 1.00 0.00 C ATOM 696 O GLY A 553 -11.766 -2.138 -2.310 1.00 0.00 O ATOM 0 H GLY A 553 -9.299 1.059 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.258 0.200 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.919 0.346 -2.013 1.00 0.00 H new ATOM 700 N LEU A 554 -9.916 -2.107 -1.028 1.00 0.00 N ATOM 701 CA LEU A 554 -9.680 -3.543 -1.129 1.00 0.00 C ATOM 702 C LEU A 554 -9.957 -4.242 0.198 1.00 0.00 C ATOM 703 O LEU A 554 -10.363 -5.404 0.226 1.00 0.00 O ATOM 704 CB LEU A 554 -8.238 -3.808 -1.560 1.00 0.00 C ATOM 705 CG LEU A 554 -7.772 -3.023 -2.790 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.397 -3.496 -3.234 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.778 -3.159 -3.925 1.00 0.00 C ATOM 0 H LEU A 554 -9.229 -1.607 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.363 -3.945 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.577 -3.572 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.126 -4.873 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.702 -1.969 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.082 -2.928 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.682 -3.345 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.441 -4.556 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.429 -2.594 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.882 -4.210 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.744 -2.770 -3.603 1.00 0.00 H new ATOM 719 N ILE A 555 -9.732 -3.528 1.295 1.00 0.00 N ATOM 720 CA ILE A 555 -9.955 -4.083 2.627 1.00 0.00 C ATOM 721 C ILE A 555 -11.216 -3.499 3.258 1.00 0.00 C ATOM 722 O ILE A 555 -11.863 -4.144 4.084 1.00 0.00 O ATOM 723 CB ILE A 555 -8.753 -3.841 3.577 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.820 -2.752 3.032 1.00 0.00 C ATOM 725 CG2 ILE A 555 -7.987 -5.137 3.802 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.960 -3.205 1.869 1.00 0.00 C ATOM 0 H ILE A 555 -9.396 -2.565 1.290 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.074 -5.158 2.494 1.00 0.00 H new ATOM 0 HB ILE A 555 -9.145 -3.494 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -8.420 -1.898 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.172 -2.406 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.146 -4.951 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.649 -5.878 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.616 -5.511 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.329 -2.380 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.333 -4.039 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.600 -3.523 1.046 1.00 0.00 H new ATOM 738 N CYS A 556 -11.566 -2.280 2.860 1.00 0.00 N ATOM 739 CA CYS A 556 -12.756 -1.614 3.384 1.00 0.00 C ATOM 740 C CYS A 556 -14.019 -2.195 2.763 1.00 0.00 C ATOM 741 O CYS A 556 -15.134 -1.858 3.162 1.00 0.00 O ATOM 742 CB CYS A 556 -12.677 -0.105 3.123 1.00 0.00 C ATOM 743 SG CYS A 556 -13.473 0.958 4.388 1.00 0.00 S ATOM 0 H CYS A 556 -11.043 -1.732 2.176 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.798 -1.782 4.460 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.627 0.178 3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.137 0.104 2.157 1.00 0.00 H new ATOM 748 N GLY A 557 -13.832 -3.079 1.794 1.00 0.00 N ATOM 749 CA GLY A 557 -14.941 -3.711 1.135 1.00 0.00 C ATOM 750 C GLY A 557 -14.478 -4.928 0.378 1.00 0.00 C ATOM 751 O GLY A 557 -13.763 -5.768 0.922 1.00 0.00 O ATOM 0 H GLY A 557 -12.915 -3.369 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.694 -3.997 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.414 -3.007 0.450 1.00 0.00 H new ATOM 755 N LEU A 558 -14.865 -5.018 -0.879 1.00 0.00 N ATOM 756 CA LEU A 558 -14.469 -6.140 -1.710 1.00 0.00 C ATOM 757 C LEU A 558 -14.399 -5.726 -3.177 1.00 0.00 C ATOM 758 O LEU A 558 -13.531 -6.182 -3.921 1.00 0.00 O ATOM 759 CB LEU A 558 -15.444 -7.305 -1.526 1.00 0.00 C ATOM 760 CG LEU A 558 -16.238 -7.304 -0.214 1.00 0.00 C ATOM 761 CD1 LEU A 558 -17.496 -8.147 -0.354 1.00 0.00 C ATOM 762 CD2 LEU A 558 -15.379 -7.808 0.943 1.00 0.00 C ATOM 0 H LEU A 558 -15.453 -4.329 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.476 -6.465 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.150 -7.299 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.884 -8.238 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.532 -6.278 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.048 -8.136 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -18.122 -7.738 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.221 -9.172 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -15.965 -7.798 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.049 -8.826 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.510 -7.161 1.059 1.00 0.00 H new ATOM 774 N ARG A 559 -15.315 -4.854 -3.585 1.00 0.00 N ATOM 775 CA ARG A 559 -15.358 -4.370 -4.957 1.00 0.00 C ATOM 776 C ARG A 559 -15.616 -2.867 -4.990 1.00 0.00 C ATOM 777 O ARG A 559 -16.366 -2.372 -5.833 1.00 0.00 O ATOM 778 CB ARG A 559 -16.443 -5.105 -5.743 1.00 0.00 C ATOM 779 CG ARG A 559 -17.710 -5.353 -4.942 1.00 0.00 C ATOM 780 CD ARG A 559 -18.941 -5.345 -5.831 1.00 0.00 C ATOM 781 NE ARG A 559 -20.026 -4.550 -5.261 1.00 0.00 N ATOM 782 CZ ARG A 559 -21.142 -4.242 -5.918 1.00 0.00 C ATOM 783 NH1 ARG A 559 -21.322 -4.660 -7.164 1.00 0.00 N ATOM 784 NH2 ARG A 559 -22.080 -3.513 -5.328 1.00 0.00 N ATOM 0 H ARG A 559 -16.040 -4.467 -2.981 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.391 -4.566 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.692 -4.525 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.047 -6.061 -6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.636 -6.312 -4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.811 -4.588 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -18.677 -4.947 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -19.284 -6.368 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.922 -4.211 -4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -20.604 -5.220 -7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.179 -4.421 -7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.946 -3.188 -4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -22.935 -3.277 -5.832 1.00 0.00 H new ATOM 798 N GLN A 560 -14.991 -2.146 -4.061 1.00 0.00 N ATOM 799 CA GLN A 560 -15.147 -0.693 -3.970 1.00 0.00 C ATOM 800 C GLN A 560 -15.047 -0.038 -5.346 1.00 0.00 C ATOM 801 O GLN A 560 -13.918 0.073 -5.866 1.00 0.00 O ATOM 802 CB GLN A 560 -14.085 -0.094 -3.037 1.00 0.00 C ATOM 803 CG GLN A 560 -14.230 -0.489 -1.570 1.00 0.00 C ATOM 804 CD GLN A 560 -15.675 -0.647 -1.134 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.252 -1.810 -1.413 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.264 0.263 -0.551 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -16.100 0.357 -5.890 1.00 0.00 O ATOM 0 H GLN A 560 -14.369 -2.545 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.138 -0.494 -3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.099 -0.401 -3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.126 0.993 -3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.701 -1.426 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.750 0.266 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.782 1.141 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.234 0.140 -0.262 1.00 0.00 H new