USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 549 HIS : no HE2:sc= -3.69 K(o=-5.5,f=-7.2!) USER MOD Set 1.2: A 550 ASN : amide:sc= -1.76 X(o=-5.5,f=-5.9!) USER MOD Single : A 508 GLN : amide:sc=-0.00147 X(o=-0.0015,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 HIS : no HD1:sc= -0.711 X(o=-0.71,f=-0.45) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -65:sc= -0.379! USER MOD Single : A 520 THR OG1 : rot 70:sc= 1.09 USER MOD Single : A 521 GLN : amide:sc= 0.253 K(o=0.25,f=-0.5) 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 180:sc= 0 (180deg=0) USER MOD Single : A 551 GLN : amide:sc= -5.19! C(o=-5.2!,f=-4.5!) USER MOD Single : A 560 GLN : amide:sc= -4.04 K(o=-4,f=-3.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -19.469 4.778 -1.346 1.00 0.00 N ATOM 2 CA ALA A 507 -18.418 4.383 -2.319 1.00 0.00 C ATOM 3 C ALA A 507 -18.153 2.889 -2.270 1.00 0.00 C ATOM 4 O ALA A 507 -18.396 2.235 -1.255 1.00 0.00 O ATOM 5 CB ALA A 507 -17.127 5.128 -2.038 1.00 0.00 C ATOM 0 HA ALA A 507 -18.781 4.642 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -16.368 4.826 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -17.301 6.201 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -16.783 4.893 -1.031 1.00 0.00 H new ATOM 13 N GLN A 508 -17.635 2.354 -3.368 1.00 0.00 N ATOM 14 CA GLN A 508 -17.315 0.939 -3.442 1.00 0.00 C ATOM 15 C GLN A 508 -15.886 0.730 -3.931 1.00 0.00 C ATOM 16 O GLN A 508 -15.662 0.377 -5.089 1.00 0.00 O ATOM 17 CB GLN A 508 -18.300 0.214 -4.361 1.00 0.00 C ATOM 18 CG GLN A 508 -19.758 0.492 -4.031 1.00 0.00 C ATOM 19 CD GLN A 508 -20.708 -0.051 -5.080 1.00 0.00 C ATOM 20 OE1 GLN A 508 -20.760 -1.257 -5.322 1.00 0.00 O ATOM 21 NE2 GLN A 508 -21.466 0.838 -5.710 1.00 0.00 N ATOM 0 H GLN A 508 -17.429 2.880 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 508 -17.399 0.521 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -18.107 0.510 -5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -18.120 -0.859 -4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -19.999 0.049 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -19.906 1.568 -3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -21.390 1.828 -5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -22.124 0.531 -6.426 1.00 0.00 H new ATOM 30 N PRO A 509 -14.898 0.941 -3.048 1.00 0.00 N ATOM 31 CA PRO A 509 -13.484 0.771 -3.389 1.00 0.00 C ATOM 32 C PRO A 509 -13.130 -0.692 -3.621 1.00 0.00 C ATOM 33 O PRO A 509 -12.776 -1.091 -4.730 1.00 0.00 O ATOM 34 CB PRO A 509 -12.738 1.307 -2.157 1.00 0.00 C ATOM 35 CG PRO A 509 -13.765 2.031 -1.349 1.00 0.00 C ATOM 36 CD PRO A 509 -15.074 1.365 -1.654 1.00 0.00 C ATOM 0 HA PRO A 509 -13.225 1.290 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.291 0.494 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -11.927 1.974 -2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -13.536 1.973 -0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.794 3.088 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -15.262 0.519 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.914 2.050 -1.541 1.00 0.00 H new ATOM 44 N LYS A 510 -13.235 -1.482 -2.557 1.00 0.00 N ATOM 45 CA LYS A 510 -12.936 -2.908 -2.610 1.00 0.00 C ATOM 46 C LYS A 510 -13.052 -3.535 -1.230 1.00 0.00 C ATOM 47 O LYS A 510 -13.419 -4.702 -1.089 1.00 0.00 O ATOM 48 CB LYS A 510 -11.536 -3.142 -3.178 1.00 0.00 C ATOM 49 CG LYS A 510 -10.418 -2.597 -2.301 1.00 0.00 C ATOM 50 CD LYS A 510 -9.645 -1.488 -3.001 1.00 0.00 C ATOM 51 CE LYS A 510 -9.411 -0.302 -2.079 1.00 0.00 C ATOM 52 NZ LYS A 510 -9.171 0.955 -2.839 1.00 0.00 N ATOM 0 H LYS A 510 -13.529 -1.153 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.665 -3.382 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -11.386 -4.212 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -11.471 -2.679 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.838 -2.216 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.736 -3.405 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.687 -1.875 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.195 -1.161 -3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -10.275 -0.173 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.555 -0.506 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -9.016 1.739 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.331 0.841 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -9.998 1.164 -3.434 1.00 0.00 H new ATOM 66 N CYS A 511 -12.741 -2.741 -0.218 1.00 0.00 N ATOM 67 CA CYS A 511 -12.804 -3.183 1.173 1.00 0.00 C ATOM 68 C CYS A 511 -12.208 -4.579 1.344 1.00 0.00 C ATOM 69 O CYS A 511 -12.835 -5.472 1.915 1.00 0.00 O ATOM 70 CB CYS A 511 -14.253 -3.151 1.662 1.00 0.00 C ATOM 71 SG CYS A 511 -14.544 -1.993 3.039 1.00 0.00 S ATOM 0 H CYS A 511 -12.438 -1.774 -0.333 1.00 0.00 H new ATOM 0 HA CYS A 511 -12.208 -2.498 1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.901 -2.879 0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.542 -4.154 1.977 1.00 0.00 H new ATOM 76 N ASN A 512 -10.987 -4.754 0.851 1.00 0.00 N ATOM 77 CA ASN A 512 -10.294 -6.031 0.952 1.00 0.00 C ATOM 78 C ASN A 512 -9.116 -5.925 1.916 1.00 0.00 C ATOM 79 O ASN A 512 -7.979 -5.713 1.495 1.00 0.00 O ATOM 80 CB ASN A 512 -9.806 -6.483 -0.426 1.00 0.00 C ATOM 81 CG ASN A 512 -10.756 -7.464 -1.084 1.00 0.00 C ATOM 82 OD1 ASN A 512 -11.364 -8.300 -0.416 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.888 -7.368 -2.402 1.00 0.00 N ATOM 0 H ASN A 512 -10.456 -4.024 0.376 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.994 -6.772 1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.686 -5.611 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.823 -6.944 -0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.513 -8.002 -2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -10.365 -6.660 -2.917 1.00 0.00 H new ATOM 90 N PRO A 513 -9.376 -6.067 3.229 1.00 0.00 N ATOM 91 CA PRO A 513 -8.338 -5.980 4.262 1.00 0.00 C ATOM 92 C PRO A 513 -7.515 -7.260 4.397 1.00 0.00 C ATOM 93 O PRO A 513 -6.916 -7.513 5.442 1.00 0.00 O ATOM 94 CB PRO A 513 -9.147 -5.730 5.533 1.00 0.00 C ATOM 95 CG PRO A 513 -10.449 -6.413 5.290 1.00 0.00 C ATOM 96 CD PRO A 513 -10.710 -6.317 3.808 1.00 0.00 C ATOM 0 HA PRO A 513 -7.603 -5.208 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.643 -6.137 6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.286 -4.664 5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.407 -7.454 5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.249 -5.937 5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.149 -7.236 3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.404 -5.509 3.576 1.00 0.00 H new ATOM 104 N ASN A 514 -7.484 -8.064 3.338 1.00 0.00 N ATOM 105 CA ASN A 514 -6.730 -9.310 3.346 1.00 0.00 C ATOM 106 C ASN A 514 -5.356 -9.117 2.705 1.00 0.00 C ATOM 107 O ASN A 514 -4.402 -9.821 3.036 1.00 0.00 O ATOM 108 CB ASN A 514 -7.515 -10.399 2.608 1.00 0.00 C ATOM 109 CG ASN A 514 -6.722 -11.683 2.438 1.00 0.00 C ATOM 110 OD1 ASN A 514 -6.184 -11.955 1.365 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.648 -12.477 3.499 1.00 0.00 N ATOM 0 H ASN A 514 -7.973 -7.873 2.464 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.580 -9.619 4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.432 -10.614 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.810 -10.027 1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -6.129 -13.353 3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -7.110 -12.211 4.368 1.00 0.00 H new ATOM 118 N LEU A 515 -5.264 -8.157 1.790 1.00 0.00 N ATOM 119 CA LEU A 515 -4.006 -7.870 1.106 1.00 0.00 C ATOM 120 C LEU A 515 -3.234 -6.771 1.830 1.00 0.00 C ATOM 121 O LEU A 515 -3.148 -5.639 1.354 1.00 0.00 O ATOM 122 CB LEU A 515 -4.275 -7.456 -0.343 1.00 0.00 C ATOM 123 CG LEU A 515 -4.917 -8.539 -1.215 1.00 0.00 C ATOM 124 CD1 LEU A 515 -6.106 -7.975 -1.980 1.00 0.00 C ATOM 125 CD2 LEU A 515 -3.895 -9.128 -2.175 1.00 0.00 C ATOM 0 H LEU A 515 -6.044 -7.565 1.505 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.400 -8.776 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.924 -6.580 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.333 -7.154 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.275 -9.336 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.549 -8.759 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.849 -7.603 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -5.773 -7.158 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -4.370 -9.896 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.505 -8.340 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -3.076 -9.571 -1.608 1.00 0.00 H new ATOM 137 N HIS A 516 -2.676 -7.114 2.987 1.00 0.00 N ATOM 138 CA HIS A 516 -1.913 -6.161 3.787 1.00 0.00 C ATOM 139 C HIS A 516 -0.561 -5.838 3.150 1.00 0.00 C ATOM 140 O HIS A 516 0.157 -4.956 3.620 1.00 0.00 O ATOM 141 CB HIS A 516 -1.702 -6.710 5.198 1.00 0.00 C ATOM 142 CG HIS A 516 -1.524 -5.644 6.235 1.00 0.00 C ATOM 143 ND1 HIS A 516 -2.459 -5.382 7.215 1.00 0.00 N ATOM 144 CD2 HIS A 516 -0.510 -4.770 6.443 1.00 0.00 C ATOM 145 CE1 HIS A 516 -2.028 -4.394 7.979 1.00 0.00 C ATOM 146 NE2 HIS A 516 -0.848 -4.005 7.532 1.00 0.00 N ATOM 0 H HIS A 516 -2.738 -8.048 3.393 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.489 -5.237 3.835 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.556 -7.330 5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.825 -7.357 5.200 1.00 0.00 H new ATOM 0 HD2 HIS A 516 0.396 -4.690 5.860 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -2.552 -3.976 8.826 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -0.280 -3.258 7.931 1.00 0.00 H new ATOM 155 N TYR A 517 -0.210 -6.557 2.086 1.00 0.00 N ATOM 156 CA TYR A 517 1.062 -6.338 1.405 1.00 0.00 C ATOM 157 C TYR A 517 0.966 -5.196 0.397 1.00 0.00 C ATOM 158 O TYR A 517 1.606 -4.158 0.557 1.00 0.00 O ATOM 159 CB TYR A 517 1.508 -7.618 0.698 1.00 0.00 C ATOM 160 CG TYR A 517 1.712 -8.789 1.632 1.00 0.00 C ATOM 161 CD1 TYR A 517 2.600 -8.705 2.697 1.00 0.00 C ATOM 162 CD2 TYR A 517 1.016 -9.977 1.450 1.00 0.00 C ATOM 163 CE1 TYR A 517 2.790 -9.774 3.553 1.00 0.00 C ATOM 164 CE2 TYR A 517 1.199 -11.049 2.302 1.00 0.00 C ATOM 165 CZ TYR A 517 2.087 -10.943 3.351 1.00 0.00 C ATOM 166 OH TYR A 517 2.273 -12.008 4.202 1.00 0.00 O ATOM 0 H TYR A 517 -0.787 -7.293 1.679 1.00 0.00 H new ATOM 0 HA TYR A 517 1.800 -6.063 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.763 -7.887 -0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.439 -7.423 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 517 3.151 -7.790 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 517 0.320 -10.064 0.629 1.00 0.00 H new ATOM 0 HE1 TYR A 517 3.485 -9.694 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 517 0.649 -11.965 2.147 1.00 0.00 H new ATOM 0 HH TYR A 517 1.702 -12.754 3.922 1.00 0.00 H new ATOM 176 N TRP A 518 0.172 -5.401 -0.649 1.00 0.00 N ATOM 177 CA TRP A 518 0.000 -4.394 -1.693 1.00 0.00 C ATOM 178 C TRP A 518 -0.771 -3.178 -1.181 1.00 0.00 C ATOM 179 O TRP A 518 -0.719 -2.108 -1.784 1.00 0.00 O ATOM 180 CB TRP A 518 -0.723 -5.003 -2.896 1.00 0.00 C ATOM 181 CG TRP A 518 0.200 -5.426 -3.999 1.00 0.00 C ATOM 182 CD1 TRP A 518 -0.108 -5.534 -5.325 1.00 0.00 C ATOM 183 CD2 TRP A 518 1.578 -5.800 -3.875 1.00 0.00 C ATOM 184 NE1 TRP A 518 0.994 -5.950 -6.033 1.00 0.00 N ATOM 185 CE2 TRP A 518 2.041 -6.121 -5.166 1.00 0.00 C ATOM 186 CE3 TRP A 518 2.467 -5.895 -2.799 1.00 0.00 C ATOM 187 CZ2 TRP A 518 3.351 -6.528 -5.408 1.00 0.00 C ATOM 188 CZ3 TRP A 518 3.767 -6.299 -3.042 1.00 0.00 C ATOM 189 CH2 TRP A 518 4.197 -6.611 -4.337 1.00 0.00 C ATOM 0 H TRP A 518 -0.364 -6.256 -0.797 1.00 0.00 H new ATOM 0 HA TRP A 518 0.991 -4.058 -1.997 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.299 -5.867 -2.564 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -1.435 -4.276 -3.288 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -1.076 -5.323 -5.755 1.00 0.00 H new ATOM 0 HE1 TRP A 518 1.027 -6.106 -7.040 1.00 0.00 H new ATOM 0 HE3 TRP A 518 2.144 -5.657 -1.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 3.686 -6.769 -6.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 4.462 -6.375 -2.219 1.00 0.00 H new ATOM 0 HH2 TRP A 518 5.219 -6.924 -4.494 1.00 0.00 H new ATOM 200 N THR A 519 -1.488 -3.349 -0.073 1.00 0.00 N ATOM 201 CA THR A 519 -2.272 -2.262 0.508 1.00 0.00 C ATOM 202 C THR A 519 -3.345 -1.791 -0.479 1.00 0.00 C ATOM 203 O THR A 519 -4.513 -2.159 -0.355 1.00 0.00 O ATOM 204 CB THR A 519 -1.353 -1.102 0.940 1.00 0.00 C ATOM 205 OG1 THR A 519 -1.113 -0.210 -0.134 1.00 0.00 O ATOM 206 CG2 THR A 519 -0.005 -1.570 1.450 1.00 0.00 C ATOM 0 H THR A 519 -1.542 -4.229 0.440 1.00 0.00 H new ATOM 0 HA THR A 519 -2.778 -2.632 1.400 1.00 0.00 H new ATOM 0 HB THR A 519 -1.887 -0.604 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.607 -0.671 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.595 -0.707 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.148 -2.217 2.315 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.509 -2.123 0.664 1.00 0.00 H new ATOM 214 N THR A 520 -2.949 -0.996 -1.470 1.00 0.00 N ATOM 215 CA THR A 520 -3.879 -0.501 -2.482 1.00 0.00 C ATOM 216 C THR A 520 -3.168 0.509 -3.368 1.00 0.00 C ATOM 217 O THR A 520 -2.979 0.284 -4.563 1.00 0.00 O ATOM 218 CB THR A 520 -5.109 0.135 -1.819 1.00 0.00 C ATOM 219 OG1 THR A 520 -6.135 -0.825 -1.639 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.696 1.284 -2.609 1.00 0.00 C ATOM 0 H THR A 520 -1.987 -0.680 -1.594 1.00 0.00 H new ATOM 0 HA THR A 520 -4.221 -1.336 -3.093 1.00 0.00 H new ATOM 0 HB THR A 520 -4.750 0.519 -0.864 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.865 -1.467 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.561 1.684 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.947 2.067 -2.723 1.00 0.00 H new ATOM 0 HG23 THR A 520 -6.004 0.930 -3.593 1.00 0.00 H new ATOM 228 N GLN A 521 -2.740 1.605 -2.759 1.00 0.00 N ATOM 229 CA GLN A 521 -2.007 2.631 -3.468 1.00 0.00 C ATOM 230 C GLN A 521 -0.595 2.142 -3.724 1.00 0.00 C ATOM 231 O GLN A 521 0.128 2.685 -4.560 1.00 0.00 O ATOM 232 CB GLN A 521 -1.993 3.923 -2.657 1.00 0.00 C ATOM 233 CG GLN A 521 -1.717 5.157 -3.490 1.00 0.00 C ATOM 234 CD GLN A 521 -2.396 6.396 -2.939 1.00 0.00 C ATOM 235 OE1 GLN A 521 -3.407 6.853 -3.472 1.00 0.00 O ATOM 236 NE2 GLN A 521 -1.842 6.946 -1.865 1.00 0.00 N ATOM 0 H GLN A 521 -2.891 1.803 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.492 2.838 -4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -2.955 4.039 -2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -1.236 3.844 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.641 5.327 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -2.057 4.985 -4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -1.004 6.534 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -2.255 7.781 -1.449 1.00 0.00 H new ATOM 245 N ASP A 522 -0.222 1.091 -3.005 1.00 0.00 N ATOM 246 CA ASP A 522 1.084 0.495 -3.151 1.00 0.00 C ATOM 247 C ASP A 522 1.042 -0.665 -4.140 1.00 0.00 C ATOM 248 O ASP A 522 2.079 -1.193 -4.540 1.00 0.00 O ATOM 249 CB ASP A 522 1.622 0.026 -1.802 1.00 0.00 C ATOM 250 CG ASP A 522 3.106 -0.275 -1.850 1.00 0.00 C ATOM 251 OD1 ASP A 522 3.908 0.674 -1.718 1.00 0.00 O ATOM 252 OD2 ASP A 522 3.467 -1.459 -2.018 1.00 0.00 O ATOM 0 H ASP A 522 -0.816 0.637 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 522 1.759 1.257 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.433 0.793 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 522 1.082 -0.867 -1.488 1.00 0.00 H new ATOM 257 N GLU A 523 -0.169 -1.069 -4.521 1.00 0.00 N ATOM 258 CA GLU A 523 -0.358 -2.175 -5.455 1.00 0.00 C ATOM 259 C GLU A 523 0.593 -2.072 -6.646 1.00 0.00 C ATOM 260 O GLU A 523 0.950 -3.080 -7.255 1.00 0.00 O ATOM 261 CB GLU A 523 -1.812 -2.194 -5.940 1.00 0.00 C ATOM 262 CG GLU A 523 -2.116 -1.167 -7.021 1.00 0.00 C ATOM 263 CD GLU A 523 -2.103 -1.766 -8.414 1.00 0.00 C ATOM 264 OE1 GLU A 523 -3.156 -2.277 -8.850 1.00 0.00 O ATOM 265 OE2 GLU A 523 -1.040 -1.723 -9.069 1.00 0.00 O ATOM 0 H GLU A 523 -1.037 -0.644 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.133 -3.105 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.044 -3.188 -6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.471 -2.017 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -3.092 -0.722 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.383 -0.362 -6.969 1.00 0.00 H new ATOM 272 N GLY A 524 1.002 -0.850 -6.970 1.00 0.00 N ATOM 273 CA GLY A 524 1.908 -0.646 -8.082 1.00 0.00 C ATOM 274 C GLY A 524 1.758 0.727 -8.700 1.00 0.00 C ATOM 275 O GLY A 524 1.785 0.871 -9.922 1.00 0.00 O ATOM 0 H GLY A 524 0.722 0.001 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.935 -0.778 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.725 -1.406 -8.842 1.00 0.00 H new ATOM 279 N ALA A 525 1.586 1.738 -7.855 1.00 0.00 N ATOM 280 CA ALA A 525 1.416 3.104 -8.337 1.00 0.00 C ATOM 281 C ALA A 525 2.721 3.896 -8.296 1.00 0.00 C ATOM 282 O ALA A 525 3.166 4.425 -9.314 1.00 0.00 O ATOM 283 CB ALA A 525 0.339 3.816 -7.535 1.00 0.00 C ATOM 0 H ALA A 525 1.561 1.639 -6.840 1.00 0.00 H new ATOM 0 HA ALA A 525 1.106 3.044 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 525 0.223 4.834 -7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.605 3.282 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.626 3.843 -6.484 1.00 0.00 H new ATOM 289 N ALA A 526 3.331 3.975 -7.120 1.00 0.00 N ATOM 290 CA ALA A 526 4.584 4.705 -6.960 1.00 0.00 C ATOM 291 C ALA A 526 5.576 3.874 -6.175 1.00 0.00 C ATOM 292 O ALA A 526 6.278 4.372 -5.295 1.00 0.00 O ATOM 293 CB ALA A 526 4.342 6.044 -6.279 1.00 0.00 C ATOM 0 H ALA A 526 2.980 3.544 -6.265 1.00 0.00 H new ATOM 0 HA ALA A 526 5.002 4.900 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 526 5.289 6.573 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.661 6.642 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.903 5.878 -5.295 1.00 0.00 H new ATOM 299 N ILE A 527 5.600 2.594 -6.494 1.00 0.00 N ATOM 300 CA ILE A 527 6.470 1.649 -5.828 1.00 0.00 C ATOM 301 C ILE A 527 7.777 1.410 -6.582 1.00 0.00 C ATOM 302 O ILE A 527 8.619 0.629 -6.144 1.00 0.00 O ATOM 303 CB ILE A 527 5.725 0.320 -5.623 1.00 0.00 C ATOM 304 CG1 ILE A 527 5.168 -0.212 -6.952 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.591 0.539 -4.638 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.226 -0.528 -7.986 1.00 0.00 C ATOM 0 H ILE A 527 5.016 2.182 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 527 6.741 2.081 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 527 6.423 -0.420 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.588 -1.114 -6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.480 0.525 -7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 527 4.056 -0.398 -4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.997 0.884 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.905 1.288 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.749 -0.898 -8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.792 0.375 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.901 -1.289 -7.595 1.00 0.00 H new ATOM 318 N GLY A 528 7.934 2.071 -7.723 1.00 0.00 N ATOM 319 CA GLY A 528 9.132 1.897 -8.526 1.00 0.00 C ATOM 320 C GLY A 528 10.420 2.278 -7.812 1.00 0.00 C ATOM 321 O GLY A 528 11.507 1.956 -8.290 1.00 0.00 O ATOM 0 H GLY A 528 7.253 2.725 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 528 9.198 0.855 -8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 528 9.040 2.497 -9.431 1.00 0.00 H new ATOM 325 N LEU A 529 10.316 2.965 -6.676 1.00 0.00 N ATOM 326 CA LEU A 529 11.512 3.373 -5.938 1.00 0.00 C ATOM 327 C LEU A 529 11.810 2.430 -4.774 1.00 0.00 C ATOM 328 O LEU A 529 12.966 2.253 -4.391 1.00 0.00 O ATOM 329 CB LEU A 529 11.400 4.824 -5.430 1.00 0.00 C ATOM 330 CG LEU A 529 9.984 5.402 -5.289 1.00 0.00 C ATOM 331 CD1 LEU A 529 9.314 5.550 -6.649 1.00 0.00 C ATOM 332 CD2 LEU A 529 9.141 4.546 -4.354 1.00 0.00 C ATOM 0 H LEU A 529 9.433 3.247 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 529 12.343 3.319 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.889 4.882 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.963 5.466 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 529 10.069 6.397 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 529 8.313 5.961 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 529 9.903 6.221 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 529 9.245 4.574 -7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 529 8.142 4.975 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 529 9.069 3.534 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 529 9.607 4.515 -3.369 1.00 0.00 H new ATOM 344 N ALA A 530 10.766 1.842 -4.202 1.00 0.00 N ATOM 345 CA ALA A 530 10.924 0.934 -3.068 1.00 0.00 C ATOM 346 C ALA A 530 10.781 -0.529 -3.469 1.00 0.00 C ATOM 347 O ALA A 530 10.837 -1.416 -2.618 1.00 0.00 O ATOM 348 CB ALA A 530 9.910 1.263 -1.997 1.00 0.00 C ATOM 0 H ALA A 530 9.801 1.976 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 530 11.935 1.074 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.035 0.581 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.058 2.288 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.904 1.157 -2.403 1.00 0.00 H new ATOM 354 N TRP A 531 10.575 -0.786 -4.751 1.00 0.00 N ATOM 355 CA TRP A 531 10.402 -2.151 -5.231 1.00 0.00 C ATOM 356 C TRP A 531 11.705 -2.949 -5.192 1.00 0.00 C ATOM 357 O TRP A 531 11.907 -3.857 -5.999 1.00 0.00 O ATOM 358 CB TRP A 531 9.822 -2.134 -6.643 1.00 0.00 C ATOM 359 CG TRP A 531 10.801 -1.707 -7.693 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.892 -0.905 -7.520 1.00 0.00 C ATOM 361 CD2 TRP A 531 10.778 -2.061 -9.081 1.00 0.00 C ATOM 362 NE1 TRP A 531 12.548 -0.738 -8.716 1.00 0.00 N ATOM 363 CE2 TRP A 531 11.884 -1.438 -9.689 1.00 0.00 C ATOM 364 CE3 TRP A 531 9.928 -2.845 -9.866 1.00 0.00 C ATOM 365 CZ2 TRP A 531 12.161 -1.576 -11.047 1.00 0.00 C ATOM 366 CZ3 TRP A 531 10.206 -2.981 -11.214 1.00 0.00 C ATOM 367 CH2 TRP A 531 11.314 -2.349 -11.791 1.00 0.00 C ATOM 0 H TRP A 531 10.523 -0.071 -5.477 1.00 0.00 H new ATOM 0 HA TRP A 531 9.705 -2.653 -4.559 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.454 -3.131 -6.887 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.964 -1.463 -6.665 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.195 -0.466 -6.581 1.00 0.00 H new ATOM 0 HE1 TRP A 531 13.392 -0.183 -8.857 1.00 0.00 H new ATOM 0 HE3 TRP A 531 9.071 -3.335 -9.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 13.014 -1.090 -11.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 9.558 -3.585 -11.832 1.00 0.00 H new ATOM 0 HH2 TRP A 531 11.504 -2.475 -12.847 1.00 0.00 H new ATOM 378 N ILE A 532 12.576 -2.620 -4.241 1.00 0.00 N ATOM 379 CA ILE A 532 13.842 -3.316 -4.088 1.00 0.00 C ATOM 380 C ILE A 532 14.387 -3.129 -2.673 1.00 0.00 C ATOM 381 O ILE A 532 15.346 -2.387 -2.462 1.00 0.00 O ATOM 382 CB ILE A 532 14.892 -2.826 -5.105 1.00 0.00 C ATOM 383 CG1 ILE A 532 15.101 -1.315 -4.969 1.00 0.00 C ATOM 384 CG2 ILE A 532 14.469 -3.184 -6.521 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.548 -0.921 -4.774 1.00 0.00 C ATOM 0 H ILE A 532 12.423 -1.872 -3.564 1.00 0.00 H new ATOM 0 HA ILE A 532 13.651 -4.373 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 532 15.838 -3.324 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.715 -0.821 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.516 -0.950 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 532 15.222 -2.831 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 532 14.370 -4.266 -6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 532 13.512 -2.712 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.621 0.163 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.933 -1.386 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 532 17.135 -1.255 -5.630 1.00 0.00 H new ATOM 397 N PRO A 533 13.769 -3.799 -1.682 1.00 0.00 N ATOM 398 CA PRO A 533 14.172 -3.714 -0.275 1.00 0.00 C ATOM 399 C PRO A 533 15.686 -3.796 -0.081 1.00 0.00 C ATOM 400 O PRO A 533 16.233 -4.870 0.166 1.00 0.00 O ATOM 401 CB PRO A 533 13.480 -4.924 0.379 1.00 0.00 C ATOM 402 CG PRO A 533 12.812 -5.673 -0.732 1.00 0.00 C ATOM 403 CD PRO A 533 12.619 -4.691 -1.850 1.00 0.00 C ATOM 0 HA PRO A 533 13.888 -2.756 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 533 14.204 -5.555 0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.752 -4.601 1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 533 13.424 -6.515 -1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.856 -6.082 -0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.621 -5.179 -2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.673 -4.156 -1.763 1.00 0.00 H new ATOM 411 N TYR A 534 16.353 -2.652 -0.198 1.00 0.00 N ATOM 412 CA TYR A 534 17.802 -2.586 -0.037 1.00 0.00 C ATOM 413 C TYR A 534 18.185 -2.161 1.380 1.00 0.00 C ATOM 414 O TYR A 534 19.149 -2.669 1.952 1.00 0.00 O ATOM 415 CB TYR A 534 18.401 -1.610 -1.051 1.00 0.00 C ATOM 416 CG TYR A 534 19.892 -1.771 -1.242 1.00 0.00 C ATOM 417 CD1 TYR A 534 20.784 -1.396 -0.244 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.409 -2.297 -2.419 1.00 0.00 C ATOM 419 CE1 TYR A 534 22.147 -1.539 -0.415 1.00 0.00 C ATOM 420 CE2 TYR A 534 21.772 -2.445 -2.597 1.00 0.00 C ATOM 421 CZ TYR A 534 22.636 -2.064 -1.593 1.00 0.00 C ATOM 422 OH TYR A 534 23.993 -2.209 -1.767 1.00 0.00 O ATOM 0 H TYR A 534 15.912 -1.756 -0.404 1.00 0.00 H new ATOM 0 HA TYR A 534 18.204 -3.584 -0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.904 -1.747 -2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.193 -0.590 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 534 20.405 -0.986 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 534 19.735 -2.595 -3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 534 22.827 -1.241 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 534 22.158 -2.857 -3.518 1.00 0.00 H new ATOM 0 HH TYR A 534 24.170 -2.594 -2.651 1.00 0.00 H new ATOM 432 N PHE A 535 17.431 -1.215 1.933 1.00 0.00 N ATOM 433 CA PHE A 535 17.697 -0.704 3.275 1.00 0.00 C ATOM 434 C PHE A 535 17.674 -1.821 4.315 1.00 0.00 C ATOM 435 O PHE A 535 18.432 -1.791 5.285 1.00 0.00 O ATOM 436 CB PHE A 535 16.671 0.370 3.644 1.00 0.00 C ATOM 437 CG PHE A 535 17.119 1.271 4.759 1.00 0.00 C ATOM 438 CD1 PHE A 535 17.852 2.415 4.491 1.00 0.00 C ATOM 439 CD2 PHE A 535 16.804 0.973 6.076 1.00 0.00 C ATOM 440 CE1 PHE A 535 18.265 3.246 5.516 1.00 0.00 C ATOM 441 CE2 PHE A 535 17.214 1.801 7.105 1.00 0.00 C ATOM 442 CZ PHE A 535 17.945 2.938 6.824 1.00 0.00 C ATOM 0 H PHE A 535 16.629 -0.786 1.471 1.00 0.00 H new ATOM 0 HA PHE A 535 18.695 -0.267 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 535 16.458 0.975 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 535 15.738 -0.114 3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 535 18.104 2.661 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 535 16.232 0.085 6.301 1.00 0.00 H new ATOM 0 HE1 PHE A 535 18.837 4.135 5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 535 16.963 1.559 8.127 1.00 0.00 H new ATOM 0 HZ PHE A 535 18.266 3.586 7.626 1.00 0.00 H new ATOM 452 N GLY A 536 16.802 -2.802 4.114 1.00 0.00 N ATOM 453 CA GLY A 536 16.704 -3.908 5.050 1.00 0.00 C ATOM 454 C GLY A 536 15.288 -4.437 5.176 1.00 0.00 C ATOM 455 O GLY A 536 15.057 -5.635 5.021 1.00 0.00 O ATOM 0 H GLY A 536 16.162 -2.852 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 536 17.362 -4.714 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 536 17.056 -3.584 6.029 1.00 0.00 H new ATOM 459 N PRO A 537 14.307 -3.559 5.448 1.00 0.00 N ATOM 460 CA PRO A 537 12.909 -3.954 5.578 1.00 0.00 C ATOM 461 C PRO A 537 12.270 -4.169 4.215 1.00 0.00 C ATOM 462 O PRO A 537 12.947 -4.099 3.192 1.00 0.00 O ATOM 463 CB PRO A 537 12.246 -2.770 6.301 1.00 0.00 C ATOM 464 CG PRO A 537 13.316 -1.741 6.511 1.00 0.00 C ATOM 465 CD PRO A 537 14.478 -2.115 5.632 1.00 0.00 C ATOM 0 HA PRO A 537 12.797 -4.895 6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.428 -2.362 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.821 -3.087 7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 537 12.948 -0.747 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.620 -1.711 7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 537 14.452 -1.582 4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 537 15.432 -1.879 6.104 1.00 0.00 H new ATOM 473 N ALA A 538 10.967 -4.423 4.198 1.00 0.00 N ATOM 474 CA ALA A 538 10.261 -4.634 2.941 1.00 0.00 C ATOM 475 C ALA A 538 10.434 -3.434 2.021 1.00 0.00 C ATOM 476 O ALA A 538 10.812 -3.582 0.859 1.00 0.00 O ATOM 477 CB ALA A 538 8.785 -4.898 3.186 1.00 0.00 C ATOM 0 H ALA A 538 10.383 -4.487 5.032 1.00 0.00 H new ATOM 0 HA ALA A 538 10.692 -5.510 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 538 8.280 -5.052 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 538 8.672 -5.788 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 538 8.342 -4.043 3.697 1.00 0.00 H new ATOM 483 N ALA A 539 10.156 -2.243 2.549 1.00 0.00 N ATOM 484 CA ALA A 539 10.279 -1.005 1.778 1.00 0.00 C ATOM 485 C ALA A 539 9.189 -0.898 0.722 1.00 0.00 C ATOM 486 O ALA A 539 8.507 0.120 0.609 1.00 0.00 O ATOM 487 CB ALA A 539 11.628 -0.934 1.099 1.00 0.00 C ATOM 0 H ALA A 539 9.843 -2.108 3.510 1.00 0.00 H new ATOM 0 HA ALA A 539 10.175 -0.177 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.701 -0.007 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.416 -0.961 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.741 -1.783 0.425 1.00 0.00 H new ATOM 493 N GLU A 540 9.057 -1.966 -0.055 1.00 0.00 N ATOM 494 CA GLU A 540 8.082 -2.062 -1.133 1.00 0.00 C ATOM 495 C GLU A 540 6.744 -1.401 -0.783 1.00 0.00 C ATOM 496 O GLU A 540 5.996 -1.000 -1.676 1.00 0.00 O ATOM 497 CB GLU A 540 7.877 -3.539 -1.454 1.00 0.00 C ATOM 498 CG GLU A 540 8.635 -4.009 -2.683 1.00 0.00 C ATOM 499 CD GLU A 540 8.235 -5.406 -3.117 1.00 0.00 C ATOM 500 OE1 GLU A 540 7.206 -5.539 -3.814 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.950 -6.365 -2.762 1.00 0.00 O ATOM 0 H GLU A 540 9.633 -2.802 0.048 1.00 0.00 H new ATOM 0 HA GLU A 540 8.468 -1.524 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 540 8.189 -4.135 -0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.813 -3.725 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 540 8.457 -3.313 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.705 -3.990 -2.475 1.00 0.00 H new ATOM 508 N GLY A 541 6.440 -1.289 0.508 1.00 0.00 N ATOM 509 CA GLY A 541 5.191 -0.674 0.920 1.00 0.00 C ATOM 510 C GLY A 541 5.382 0.667 1.610 1.00 0.00 C ATOM 511 O GLY A 541 4.831 1.678 1.178 1.00 0.00 O ATOM 0 H GLY A 541 7.034 -1.612 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.555 -0.538 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.666 -1.350 1.594 1.00 0.00 H new ATOM 515 N ILE A 542 6.138 0.667 2.702 1.00 0.00 N ATOM 516 CA ILE A 542 6.375 1.883 3.483 1.00 0.00 C ATOM 517 C ILE A 542 7.394 2.829 2.844 1.00 0.00 C ATOM 518 O ILE A 542 7.390 4.026 3.130 1.00 0.00 O ATOM 519 CB ILE A 542 6.835 1.551 4.919 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.295 1.080 4.948 1.00 0.00 C ATOM 521 CG2 ILE A 542 5.924 0.504 5.541 1.00 0.00 C ATOM 522 CD1 ILE A 542 8.519 -0.268 4.302 1.00 0.00 C ATOM 0 H ILE A 542 6.601 -0.164 3.071 1.00 0.00 H new ATOM 0 HA ILE A 542 5.413 2.395 3.508 1.00 0.00 H new ATOM 0 HB ILE A 542 6.771 2.466 5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.915 1.821 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.631 1.035 5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.263 0.282 6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 542 4.903 0.884 5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.952 -0.406 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 542 9.575 -0.530 4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 542 7.927 -1.023 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 542 8.216 -0.225 3.256 1.00 0.00 H new ATOM 534 N TYR A 543 8.261 2.307 1.986 1.00 0.00 N ATOM 535 CA TYR A 543 9.266 3.140 1.332 1.00 0.00 C ATOM 536 C TYR A 543 8.841 3.461 -0.093 1.00 0.00 C ATOM 537 O TYR A 543 9.427 4.314 -0.757 1.00 0.00 O ATOM 538 CB TYR A 543 10.627 2.444 1.329 1.00 0.00 C ATOM 539 CG TYR A 543 11.484 2.782 2.529 1.00 0.00 C ATOM 540 CD1 TYR A 543 11.384 2.052 3.706 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.393 3.832 2.483 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.165 2.359 4.804 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.177 4.145 3.577 1.00 0.00 C ATOM 544 CZ TYR A 543 13.059 3.406 4.735 1.00 0.00 C ATOM 545 OH TYR A 543 13.838 3.715 5.827 1.00 0.00 O ATOM 0 H TYR A 543 8.291 1.321 1.727 1.00 0.00 H new ATOM 0 HA TYR A 543 9.354 4.071 1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.474 1.365 1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 543 11.164 2.719 0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.685 1.231 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.488 4.413 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.075 1.781 5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.879 4.964 3.525 1.00 0.00 H new ATOM 0 HH TYR A 543 14.415 4.478 5.612 1.00 0.00 H new ATOM 555 N ALA A 544 7.808 2.766 -0.544 1.00 0.00 N ATOM 556 CA ALA A 544 7.272 2.952 -1.875 1.00 0.00 C ATOM 557 C ALA A 544 6.032 3.828 -1.819 1.00 0.00 C ATOM 558 O ALA A 544 5.712 4.539 -2.772 1.00 0.00 O ATOM 559 CB ALA A 544 6.945 1.597 -2.466 1.00 0.00 C ATOM 0 H ALA A 544 7.321 2.058 0.006 1.00 0.00 H new ATOM 0 HA ALA A 544 8.009 3.450 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.540 1.726 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.851 0.993 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.208 1.095 -1.839 1.00 0.00 H new ATOM 565 N GLU A 545 5.333 3.767 -0.689 1.00 0.00 N ATOM 566 CA GLU A 545 4.122 4.555 -0.505 1.00 0.00 C ATOM 567 C GLU A 545 4.264 5.531 0.664 1.00 0.00 C ATOM 568 O GLU A 545 3.711 6.631 0.642 1.00 0.00 O ATOM 569 CB GLU A 545 2.941 3.621 -0.260 1.00 0.00 C ATOM 570 CG GLU A 545 1.664 4.351 0.110 1.00 0.00 C ATOM 571 CD GLU A 545 1.281 5.403 -0.916 1.00 0.00 C ATOM 572 OE1 GLU A 545 2.122 6.275 -1.216 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.144 5.352 -1.422 1.00 0.00 O ATOM 0 H GLU A 545 5.584 3.183 0.108 1.00 0.00 H new ATOM 0 HA GLU A 545 3.952 5.139 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.765 3.027 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.197 2.925 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 545 0.852 3.630 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 545 1.789 4.825 1.084 1.00 0.00 H new ATOM 580 N GLY A 546 5.021 5.116 1.674 1.00 0.00 N ATOM 581 CA GLY A 546 5.259 5.937 2.849 1.00 0.00 C ATOM 582 C GLY A 546 4.066 6.771 3.283 1.00 0.00 C ATOM 583 O GLY A 546 4.236 7.920 3.690 1.00 0.00 O ATOM 0 H GLY A 546 5.483 4.207 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.555 5.291 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.099 6.603 2.648 1.00 0.00 H new ATOM 587 N LEU A 547 2.857 6.209 3.214 1.00 0.00 N ATOM 588 CA LEU A 547 1.672 6.957 3.629 1.00 0.00 C ATOM 589 C LEU A 547 0.395 6.112 3.550 1.00 0.00 C ATOM 590 O LEU A 547 -0.259 5.876 4.565 1.00 0.00 O ATOM 591 CB LEU A 547 1.573 8.248 2.795 1.00 0.00 C ATOM 592 CG LEU A 547 0.286 8.470 1.989 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.151 9.925 2.073 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.500 8.063 0.539 1.00 0.00 C ATOM 0 H LEU A 547 2.676 5.261 2.883 1.00 0.00 H new ATOM 0 HA LEU A 547 1.775 7.226 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.699 9.095 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.413 8.266 2.100 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.503 7.850 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.065 10.064 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.335 10.190 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.634 10.565 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.419 8.225 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.300 8.664 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.773 7.009 0.493 1.00 0.00 H new ATOM 606 N MET A 548 0.043 5.655 2.354 1.00 0.00 N ATOM 607 CA MET A 548 -1.155 4.833 2.177 1.00 0.00 C ATOM 608 C MET A 548 -0.809 3.349 2.200 1.00 0.00 C ATOM 609 O MET A 548 -1.641 2.504 1.870 1.00 0.00 O ATOM 610 CB MET A 548 -1.859 5.176 0.865 1.00 0.00 C ATOM 611 CG MET A 548 -3.139 5.977 1.046 1.00 0.00 C ATOM 612 SD MET A 548 -2.845 7.755 1.129 1.00 0.00 S ATOM 613 CE MET A 548 -4.082 8.248 2.325 1.00 0.00 C ATOM 0 H MET A 548 0.564 5.836 1.496 1.00 0.00 H new ATOM 0 HA MET A 548 -1.827 5.049 3.008 1.00 0.00 H new ATOM 0 HB2 MET A 548 -1.174 5.741 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.092 4.252 0.336 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.816 5.763 0.219 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.639 5.653 1.959 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.026 9.325 2.484 1.00 0.00 H new ATOM 0 HE2 MET A 548 -5.073 7.987 1.952 1.00 0.00 H new ATOM 0 HE3 MET A 548 -3.902 7.732 3.268 1.00 0.00 H new ATOM 623 N HIS A 549 0.417 3.034 2.599 1.00 0.00 N ATOM 624 CA HIS A 549 0.860 1.651 2.672 1.00 0.00 C ATOM 625 C HIS A 549 0.034 0.864 3.687 1.00 0.00 C ATOM 626 O HIS A 549 0.141 -0.358 3.773 1.00 0.00 O ATOM 627 CB HIS A 549 2.342 1.588 3.049 1.00 0.00 C ATOM 628 CG HIS A 549 2.661 2.269 4.343 1.00 0.00 C ATOM 629 ND1 HIS A 549 2.207 1.818 5.565 1.00 0.00 N ATOM 630 CD2 HIS A 549 3.397 3.376 4.604 1.00 0.00 C ATOM 631 CE1 HIS A 549 2.649 2.616 6.520 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.374 3.568 5.963 1.00 0.00 N ATOM 0 H HIS A 549 1.121 3.718 2.876 1.00 0.00 H new ATOM 0 HA HIS A 549 0.720 1.201 1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 549 2.648 0.544 3.113 1.00 0.00 H new ATOM 0 HB3 HIS A 549 2.930 2.045 2.253 1.00 0.00 H new ATOM 0 HD1 HIS A 549 1.621 0.996 5.709 1.00 0.00 H new ATOM 0 HD2 HIS A 549 3.907 3.992 3.878 1.00 0.00 H new ATOM 0 HE1 HIS A 549 2.451 2.508 7.576 1.00 0.00 H new ATOM 641 N ASN A 550 -0.768 1.569 4.480 1.00 0.00 N ATOM 642 CA ASN A 550 -1.576 0.923 5.501 1.00 0.00 C ATOM 643 C ASN A 550 -2.996 0.632 5.030 1.00 0.00 C ATOM 644 O ASN A 550 -3.591 -0.367 5.434 1.00 0.00 O ATOM 645 CB ASN A 550 -1.612 1.791 6.758 1.00 0.00 C ATOM 646 CG ASN A 550 -0.613 1.339 7.805 1.00 0.00 C ATOM 647 OD1 ASN A 550 0.566 1.144 7.513 1.00 0.00 O ATOM 648 ND2 ASN A 550 -1.083 1.169 9.036 1.00 0.00 N ATOM 0 H ASN A 550 -0.873 2.582 4.433 1.00 0.00 H new ATOM 0 HA ASN A 550 -1.109 -0.037 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.406 2.826 6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.615 1.767 7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -0.458 0.865 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -2.068 1.342 9.234 1.00 0.00 H new ATOM 655 N GLN A 551 -3.542 1.499 4.190 1.00 0.00 N ATOM 656 CA GLN A 551 -4.901 1.308 3.689 1.00 0.00 C ATOM 657 C GLN A 551 -4.975 0.066 2.810 1.00 0.00 C ATOM 658 O GLN A 551 -5.105 0.156 1.589 1.00 0.00 O ATOM 659 CB GLN A 551 -5.373 2.538 2.912 1.00 0.00 C ATOM 660 CG GLN A 551 -4.375 3.030 1.881 1.00 0.00 C ATOM 661 CD GLN A 551 -5.045 3.708 0.703 1.00 0.00 C ATOM 662 OE1 GLN A 551 -5.758 4.697 0.865 1.00 0.00 O ATOM 663 NE2 GLN A 551 -4.817 3.177 -0.493 1.00 0.00 N ATOM 0 H GLN A 551 -3.073 2.335 3.842 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.562 1.170 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -6.312 2.302 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.581 3.344 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.684 3.728 2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.782 2.188 1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -4.218 2.356 -0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -5.240 3.590 -1.324 1.00 0.00 H new ATOM 672 N ASP A 552 -4.880 -1.095 3.449 1.00 0.00 N ATOM 673 CA ASP A 552 -4.922 -2.373 2.748 1.00 0.00 C ATOM 674 C ASP A 552 -6.333 -2.951 2.729 1.00 0.00 C ATOM 675 O ASP A 552 -6.510 -4.157 2.572 1.00 0.00 O ATOM 676 CB ASP A 552 -3.966 -3.364 3.409 1.00 0.00 C ATOM 677 CG ASP A 552 -4.277 -3.577 4.877 1.00 0.00 C ATOM 678 OD1 ASP A 552 -5.314 -4.203 5.181 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.482 -3.118 5.725 1.00 0.00 O ATOM 0 H ASP A 552 -4.772 -1.177 4.460 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.612 -2.200 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -4.020 -4.319 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.943 -3.001 3.306 1.00 0.00 H new ATOM 684 N GLY A 553 -7.330 -2.091 2.900 1.00 0.00 N ATOM 685 CA GLY A 553 -8.708 -2.544 2.911 1.00 0.00 C ATOM 686 C GLY A 553 -9.420 -2.138 4.184 1.00 0.00 C ATOM 687 O GLY A 553 -10.618 -1.859 4.175 1.00 0.00 O ATOM 0 H GLY A 553 -7.208 -1.087 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -9.234 -2.129 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.735 -3.629 2.809 1.00 0.00 H new ATOM 691 N LEU A 554 -8.668 -2.089 5.278 1.00 0.00 N ATOM 692 CA LEU A 554 -9.215 -1.691 6.570 1.00 0.00 C ATOM 693 C LEU A 554 -9.799 -0.293 6.477 1.00 0.00 C ATOM 694 O LEU A 554 -10.985 -0.074 6.723 1.00 0.00 O ATOM 695 CB LEU A 554 -8.115 -1.706 7.629 1.00 0.00 C ATOM 696 CG LEU A 554 -7.154 -2.897 7.557 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.744 -2.429 7.228 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.165 -3.675 8.865 1.00 0.00 C ATOM 0 H LEU A 554 -7.675 -2.321 5.296 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.999 -2.395 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.536 -0.787 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.581 -1.695 8.614 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.491 -3.560 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.077 -3.290 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.746 -1.918 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.398 -1.743 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -6.476 -4.517 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -6.855 -3.021 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.171 -4.045 9.060 1.00 0.00 H new ATOM 710 N ILE A 555 -8.940 0.646 6.113 1.00 0.00 N ATOM 711 CA ILE A 555 -9.318 2.035 5.967 1.00 0.00 C ATOM 712 C ILE A 555 -10.177 2.230 4.721 1.00 0.00 C ATOM 713 O ILE A 555 -9.775 2.892 3.763 1.00 0.00 O ATOM 714 CB ILE A 555 -8.054 2.906 5.874 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.207 2.785 7.151 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.402 4.361 5.597 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.005 2.476 8.403 1.00 0.00 C ATOM 0 H ILE A 555 -7.958 0.461 5.911 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.902 2.333 6.838 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.463 2.538 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.463 2.002 7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.663 3.718 7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.486 4.949 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.941 4.433 4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.028 4.745 6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.331 2.408 9.257 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.731 3.270 8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.527 1.528 8.277 1.00 0.00 H new ATOM 729 N CYS A 556 -11.362 1.639 4.749 1.00 0.00 N ATOM 730 CA CYS A 556 -12.301 1.726 3.634 1.00 0.00 C ATOM 731 C CYS A 556 -12.862 3.142 3.480 1.00 0.00 C ATOM 732 O CYS A 556 -13.565 3.435 2.512 1.00 0.00 O ATOM 733 CB CYS A 556 -13.446 0.728 3.827 1.00 0.00 C ATOM 734 SG CYS A 556 -13.874 -0.214 2.326 1.00 0.00 S ATOM 0 H CYS A 556 -11.701 1.089 5.538 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.757 1.479 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.174 0.028 4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.330 1.267 4.169 1.00 0.00 H new ATOM 739 N GLY A 557 -12.554 4.017 4.436 1.00 0.00 N ATOM 740 CA GLY A 557 -13.041 5.385 4.381 1.00 0.00 C ATOM 741 C GLY A 557 -12.474 6.181 3.217 1.00 0.00 C ATOM 742 O GLY A 557 -12.835 7.341 3.023 1.00 0.00 O ATOM 0 H GLY A 557 -11.975 3.802 5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.128 5.373 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.790 5.890 5.314 1.00 0.00 H new ATOM 746 N LEU A 558 -11.582 5.570 2.442 1.00 0.00 N ATOM 747 CA LEU A 558 -10.975 6.244 1.300 1.00 0.00 C ATOM 748 C LEU A 558 -12.021 6.568 0.235 1.00 0.00 C ATOM 749 O LEU A 558 -11.908 7.568 -0.473 1.00 0.00 O ATOM 750 CB LEU A 558 -9.871 5.373 0.699 1.00 0.00 C ATOM 751 CG LEU A 558 -10.298 3.954 0.322 1.00 0.00 C ATOM 752 CD1 LEU A 558 -10.967 3.945 -1.044 1.00 0.00 C ATOM 753 CD2 LEU A 558 -9.101 3.016 0.341 1.00 0.00 C ATOM 0 H LEU A 558 -11.264 4.611 2.584 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.542 7.181 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -9.483 5.868 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -9.049 5.311 1.413 1.00 0.00 H new ATOM 0 HG LEU A 558 -11.020 3.602 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -11.265 2.927 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.848 4.586 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -10.268 4.315 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -9.423 2.010 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -8.355 3.363 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.666 3.001 1.340 1.00 0.00 H new ATOM 765 N ARG A 559 -13.040 5.714 0.125 1.00 0.00 N ATOM 766 CA ARG A 559 -14.112 5.905 -0.858 1.00 0.00 C ATOM 767 C ARG A 559 -13.542 6.211 -2.241 1.00 0.00 C ATOM 768 O ARG A 559 -12.332 6.140 -2.455 1.00 0.00 O ATOM 769 CB ARG A 559 -15.061 7.040 -0.435 1.00 0.00 C ATOM 770 CG ARG A 559 -14.904 7.494 1.008 1.00 0.00 C ATOM 771 CD ARG A 559 -15.243 6.378 1.982 1.00 0.00 C ATOM 772 NE ARG A 559 -16.677 6.108 2.029 1.00 0.00 N ATOM 773 CZ ARG A 559 -17.546 6.832 2.732 1.00 0.00 C ATOM 774 NH1 ARG A 559 -17.131 7.870 3.447 1.00 0.00 N ATOM 775 NH2 ARG A 559 -18.833 6.516 2.720 1.00 0.00 N ATOM 0 H ARG A 559 -13.147 4.882 0.705 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.675 4.972 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -14.898 7.895 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.089 6.712 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -13.880 7.827 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -15.552 8.350 1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.713 5.471 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.892 6.648 2.978 1.00 0.00 H new ATOM 0 HE ARG A 559 -17.034 5.318 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -16.142 8.117 3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -17.802 8.421 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -19.157 5.719 2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -19.499 7.070 3.258 1.00 0.00 H new ATOM 789 N GLN A 560 -14.423 6.554 -3.175 1.00 0.00 N ATOM 790 CA GLN A 560 -14.008 6.878 -4.535 1.00 0.00 C ATOM 791 C GLN A 560 -13.245 5.716 -5.164 1.00 0.00 C ATOM 792 O GLN A 560 -12.015 5.638 -4.962 1.00 0.00 O ATOM 793 CB GLN A 560 -13.141 8.138 -4.538 1.00 0.00 C ATOM 794 CG GLN A 560 -13.620 9.214 -3.573 1.00 0.00 C ATOM 795 CD GLN A 560 -12.702 9.375 -2.375 1.00 0.00 C ATOM 796 OE1 GLN A 560 -11.480 9.291 -2.500 1.00 0.00 O ATOM 797 NE2 GLN A 560 -13.287 9.608 -1.204 1.00 0.00 N ATOM 798 OXT GLN A 560 -13.884 4.894 -5.854 1.00 0.00 O ATOM 0 H GLN A 560 -15.429 6.615 -3.015 1.00 0.00 H new ATOM 0 HA GLN A 560 -14.904 7.061 -5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.117 7.864 -4.284 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.119 8.551 -5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.692 10.165 -4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.623 8.965 -3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -14.303 9.670 -1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -12.719 9.725 -0.365 1.00 0.00 H new TER 807 GLN A 560