USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=6 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 514 ASN : amide:sc= -1.82! X(o=-1.7!,f=-2.2) USER MOD Set 1.2: A 517 TYR OH : rot 52:sc= 0.0977 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 512 ASN : amide:sc= -3.15! C(o=-3.2!,f=-1!) USER MOD Single : A 516 HIS : no HD1:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot -147:sc= -1.14! USER MOD Single : A 521 GLN : amide:sc= -4.36 K(o=-4.4,f=-9.2!) 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 -149:sc= -2.73 (180deg=-5.1!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 550 ASN : amide:sc= -0.562 K(o=-0.56,f=0) USER MOD Single : A 551 GLN : amide:sc= -2.78! C(o=-2.8!,f=-5.4!) USER MOD Single : A 560 GLN : amide:sc= -2.62 K(o=-2.6,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -12.068 -8.910 -1.435 1.00 0.00 N ATOM 2 CA ALA A 507 -12.093 -10.191 -0.685 1.00 0.00 C ATOM 3 C ALA A 507 -11.273 -10.092 0.597 1.00 0.00 C ATOM 4 O ALA A 507 -10.360 -10.885 0.827 1.00 0.00 O ATOM 5 CB ALA A 507 -11.574 -11.324 -1.560 1.00 0.00 C ATOM 0 HA ALA A 507 -13.126 -10.403 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -11.598 -12.258 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -12.203 -11.417 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -10.549 -11.109 -1.864 1.00 0.00 H new ATOM 13 N GLN A 508 -11.608 -9.113 1.431 1.00 0.00 N ATOM 14 CA GLN A 508 -10.905 -8.908 2.693 1.00 0.00 C ATOM 15 C GLN A 508 -11.511 -7.740 3.469 1.00 0.00 C ATOM 16 O GLN A 508 -11.560 -6.617 2.971 1.00 0.00 O ATOM 17 CB GLN A 508 -9.418 -8.653 2.443 1.00 0.00 C ATOM 18 CG GLN A 508 -9.140 -7.721 1.273 1.00 0.00 C ATOM 19 CD GLN A 508 -7.991 -8.199 0.407 1.00 0.00 C ATOM 20 OE1 GLN A 508 -8.157 -8.438 -0.789 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.815 -8.339 1.008 1.00 0.00 N ATOM 0 H GLN A 508 -12.362 -8.449 1.256 1.00 0.00 H new ATOM 0 HA GLN A 508 -11.013 -9.814 3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.975 -8.230 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.922 -9.606 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -10.038 -7.633 0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.914 -6.725 1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -6.722 -8.130 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -6.005 -8.656 0.476 1.00 0.00 H new ATOM 30 N PRO A 509 -11.997 -7.993 4.697 1.00 0.00 N ATOM 31 CA PRO A 509 -12.618 -6.980 5.543 1.00 0.00 C ATOM 32 C PRO A 509 -11.652 -6.393 6.568 1.00 0.00 C ATOM 33 O PRO A 509 -11.229 -7.072 7.501 1.00 0.00 O ATOM 34 CB PRO A 509 -13.672 -7.810 6.246 1.00 0.00 C ATOM 35 CG PRO A 509 -12.939 -9.068 6.546 1.00 0.00 C ATOM 36 CD PRO A 509 -12.011 -9.304 5.373 1.00 0.00 C ATOM 0 HA PRO A 509 -12.983 -6.118 4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -14.034 -7.324 7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.540 -7.987 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.377 -8.979 7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.630 -9.902 6.670 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -11.014 -9.601 5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -12.380 -10.093 4.718 1.00 0.00 H new ATOM 44 N LYS A 510 -11.324 -5.128 6.388 1.00 0.00 N ATOM 45 CA LYS A 510 -10.414 -4.421 7.295 1.00 0.00 C ATOM 46 C LYS A 510 -10.642 -2.918 7.244 1.00 0.00 C ATOM 47 O LYS A 510 -10.725 -2.252 8.276 1.00 0.00 O ATOM 48 CB LYS A 510 -8.958 -4.733 6.948 1.00 0.00 C ATOM 49 CG LYS A 510 -8.408 -5.957 7.658 1.00 0.00 C ATOM 50 CD LYS A 510 -7.324 -6.637 6.836 1.00 0.00 C ATOM 51 CE LYS A 510 -7.838 -7.903 6.168 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.893 -9.042 6.331 1.00 0.00 N ATOM 0 H LYS A 510 -11.673 -4.557 5.618 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.623 -4.769 8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.874 -4.881 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.341 -3.870 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.003 -5.666 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.217 -6.662 7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.957 -5.947 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.479 -6.882 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.805 -8.171 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.998 -7.714 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.281 -9.885 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -5.977 -8.798 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.760 -9.240 7.343 1.00 0.00 H new ATOM 66 N CYS A 511 -10.738 -2.403 6.032 1.00 0.00 N ATOM 67 CA CYS A 511 -10.959 -0.979 5.791 1.00 0.00 C ATOM 68 C CYS A 511 -9.703 -0.166 6.022 1.00 0.00 C ATOM 69 O CYS A 511 -9.733 0.895 6.646 1.00 0.00 O ATOM 70 CB CYS A 511 -12.124 -0.441 6.620 1.00 0.00 C ATOM 71 SG CYS A 511 -13.724 -0.480 5.745 1.00 0.00 S ATOM 0 H CYS A 511 -10.665 -2.959 5.180 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.226 -0.875 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.207 -1.025 7.537 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.906 0.585 6.915 1.00 0.00 H new ATOM 76 N ASN A 512 -8.607 -0.655 5.466 1.00 0.00 N ATOM 77 CA ASN A 512 -7.337 0.040 5.557 1.00 0.00 C ATOM 78 C ASN A 512 -6.707 0.223 4.169 1.00 0.00 C ATOM 79 O ASN A 512 -5.484 0.252 4.040 1.00 0.00 O ATOM 80 CB ASN A 512 -6.376 -0.715 6.482 1.00 0.00 C ATOM 81 CG ASN A 512 -5.036 -0.010 6.659 1.00 0.00 C ATOM 82 OD1 ASN A 512 -4.046 -0.637 7.034 1.00 0.00 O ATOM 83 ND2 ASN A 512 -4.993 1.295 6.394 1.00 0.00 N ATOM 0 H ASN A 512 -8.573 -1.532 4.946 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.525 1.028 5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.845 -0.841 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.204 -1.713 6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.118 1.808 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -5.835 1.781 6.085 1.00 0.00 H new ATOM 90 N PRO A 513 -7.528 0.344 3.098 1.00 0.00 N ATOM 91 CA PRO A 513 -7.023 0.514 1.737 1.00 0.00 C ATOM 92 C PRO A 513 -6.852 1.991 1.344 1.00 0.00 C ATOM 93 O PRO A 513 -5.909 2.648 1.784 1.00 0.00 O ATOM 94 CB PRO A 513 -8.129 -0.153 0.929 1.00 0.00 C ATOM 95 CG PRO A 513 -9.371 0.267 1.639 1.00 0.00 C ATOM 96 CD PRO A 513 -9.011 0.316 3.104 1.00 0.00 C ATOM 0 HA PRO A 513 -6.029 0.093 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.126 0.180 -0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.020 -1.237 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.712 1.241 1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.182 -0.439 1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.427 1.199 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.393 -0.553 3.640 1.00 0.00 H new ATOM 104 N ASN A 514 -7.761 2.505 0.505 1.00 0.00 N ATOM 105 CA ASN A 514 -7.711 3.882 0.042 1.00 0.00 C ATOM 106 C ASN A 514 -8.118 4.876 1.130 1.00 0.00 C ATOM 107 O ASN A 514 -8.604 5.966 0.829 1.00 0.00 O ATOM 108 CB ASN A 514 -8.633 4.037 -1.166 1.00 0.00 C ATOM 109 CG ASN A 514 -8.033 4.924 -2.229 1.00 0.00 C ATOM 110 OD1 ASN A 514 -8.594 5.958 -2.589 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.883 4.516 -2.736 1.00 0.00 N ATOM 0 H ASN A 514 -8.547 1.972 0.133 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.680 4.105 -0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.842 3.055 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -9.587 4.454 -0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -6.421 5.067 -3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.458 3.651 -2.404 1.00 0.00 H new ATOM 118 N LEU A 515 -7.921 4.505 2.390 1.00 0.00 N ATOM 119 CA LEU A 515 -8.270 5.376 3.502 1.00 0.00 C ATOM 120 C LEU A 515 -7.020 5.815 4.261 1.00 0.00 C ATOM 121 O LEU A 515 -7.022 6.843 4.938 1.00 0.00 O ATOM 122 CB LEU A 515 -9.248 4.665 4.442 1.00 0.00 C ATOM 123 CG LEU A 515 -10.649 4.427 3.864 1.00 0.00 C ATOM 124 CD1 LEU A 515 -11.149 5.667 3.137 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.645 3.223 2.929 1.00 0.00 C ATOM 0 H LEU A 515 -7.522 3.608 2.665 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.753 6.268 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -8.821 3.703 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.343 5.253 5.355 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.329 4.219 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -12.144 5.477 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.193 6.504 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.468 5.910 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.647 3.070 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.950 3.402 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.335 2.335 3.480 1.00 0.00 H new ATOM 137 N HIS A 516 -5.952 5.031 4.138 1.00 0.00 N ATOM 138 CA HIS A 516 -4.690 5.342 4.804 1.00 0.00 C ATOM 139 C HIS A 516 -3.527 5.347 3.810 1.00 0.00 C ATOM 140 O HIS A 516 -2.483 5.939 4.074 1.00 0.00 O ATOM 141 CB HIS A 516 -4.415 4.332 5.919 1.00 0.00 C ATOM 142 CG HIS A 516 -3.613 4.896 7.050 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.571 4.324 8.304 1.00 0.00 N ATOM 144 CD2 HIS A 516 -2.817 5.991 7.111 1.00 0.00 C ATOM 145 CE1 HIS A 516 -2.786 5.043 9.088 1.00 0.00 C ATOM 146 NE2 HIS A 516 -2.316 6.059 8.388 1.00 0.00 N ATOM 0 H HIS A 516 -5.935 4.175 3.583 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.777 6.339 5.236 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.365 3.962 6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.886 3.476 5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.614 6.681 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -2.567 4.835 10.125 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -1.683 6.778 8.739 1.00 0.00 H new ATOM 155 N TYR A 517 -3.718 4.683 2.668 1.00 0.00 N ATOM 156 CA TYR A 517 -2.692 4.596 1.624 1.00 0.00 C ATOM 157 C TYR A 517 -1.901 5.904 1.486 1.00 0.00 C ATOM 158 O TYR A 517 -0.671 5.898 1.466 1.00 0.00 O ATOM 159 CB TYR A 517 -3.353 4.222 0.288 1.00 0.00 C ATOM 160 CG TYR A 517 -4.164 5.340 -0.334 1.00 0.00 C ATOM 161 CD1 TYR A 517 -5.284 5.855 0.307 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.809 5.879 -1.565 1.00 0.00 C ATOM 163 CE1 TYR A 517 -6.028 6.873 -0.260 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.547 6.899 -2.138 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.654 7.391 -1.481 1.00 0.00 C ATOM 166 OH TYR A 517 -6.391 8.406 -2.049 1.00 0.00 O ATOM 0 H TYR A 517 -4.583 4.193 2.441 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.980 3.822 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.579 3.915 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -4.002 3.360 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.579 5.453 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.942 5.495 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.897 7.260 0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -4.257 7.308 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 517 -6.506 9.130 -1.399 1.00 0.00 H new ATOM 176 N TRP A 518 -2.619 7.016 1.398 1.00 0.00 N ATOM 177 CA TRP A 518 -2.007 8.337 1.267 1.00 0.00 C ATOM 178 C TRP A 518 -1.164 8.682 2.490 1.00 0.00 C ATOM 179 O TRP A 518 -1.627 9.370 3.401 1.00 0.00 O ATOM 180 CB TRP A 518 -3.106 9.386 1.098 1.00 0.00 C ATOM 181 CG TRP A 518 -4.243 9.180 2.055 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.189 8.527 3.253 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.597 9.607 1.891 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.422 8.528 3.847 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.307 9.185 3.033 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.280 10.308 0.895 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.665 9.443 3.202 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.628 10.562 1.063 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.307 10.132 2.210 1.00 0.00 C ATOM 0 H TRP A 518 -3.639 7.031 1.415 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.354 8.327 0.394 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.683 10.379 1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.484 9.352 0.076 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.302 8.075 3.671 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.646 8.108 4.749 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.764 10.646 0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.192 9.111 4.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.167 11.101 0.297 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.360 10.349 2.313 1.00 0.00 H new ATOM 200 N THR A 519 0.072 8.207 2.515 1.00 0.00 N ATOM 201 CA THR A 519 0.956 8.473 3.640 1.00 0.00 C ATOM 202 C THR A 519 2.387 8.083 3.311 1.00 0.00 C ATOM 203 O THR A 519 3.303 8.902 3.383 1.00 0.00 O ATOM 204 CB THR A 519 0.468 7.704 4.863 1.00 0.00 C ATOM 205 OG1 THR A 519 1.416 7.764 5.914 1.00 0.00 O ATOM 206 CG2 THR A 519 0.180 6.244 4.580 1.00 0.00 C ATOM 0 H THR A 519 0.484 7.639 1.775 1.00 0.00 H new ATOM 0 HA THR A 519 0.940 9.542 3.852 1.00 0.00 H new ATOM 0 HB THR A 519 -0.464 8.191 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.079 7.265 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.163 5.757 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.593 6.167 3.815 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.089 5.756 4.228 1.00 0.00 H new ATOM 214 N THR A 520 2.562 6.827 2.936 1.00 0.00 N ATOM 215 CA THR A 520 3.869 6.309 2.573 1.00 0.00 C ATOM 216 C THR A 520 3.801 5.630 1.208 1.00 0.00 C ATOM 217 O THR A 520 4.814 5.182 0.676 1.00 0.00 O ATOM 218 CB THR A 520 4.375 5.328 3.634 1.00 0.00 C ATOM 219 OG1 THR A 520 5.737 5.013 3.414 1.00 0.00 O ATOM 220 CG2 THR A 520 3.604 4.026 3.675 1.00 0.00 C ATOM 0 H THR A 520 1.808 6.143 2.875 1.00 0.00 H new ATOM 0 HA THR A 520 4.570 7.141 2.518 1.00 0.00 H new ATOM 0 HB THR A 520 4.233 5.840 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.907 4.087 3.686 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.019 3.382 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.556 4.230 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.681 3.527 2.709 1.00 0.00 H new ATOM 228 N GLN A 521 2.594 5.568 0.643 1.00 0.00 N ATOM 229 CA GLN A 521 2.399 4.956 -0.657 1.00 0.00 C ATOM 230 C GLN A 521 2.374 6.026 -1.746 1.00 0.00 C ATOM 231 O GLN A 521 2.827 5.812 -2.869 1.00 0.00 O ATOM 232 CB GLN A 521 1.110 4.126 -0.669 1.00 0.00 C ATOM 233 CG GLN A 521 -0.146 4.931 -0.953 1.00 0.00 C ATOM 234 CD GLN A 521 -0.555 4.881 -2.410 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.878 3.820 -2.943 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.543 6.035 -3.060 1.00 0.00 N ATOM 0 H GLN A 521 1.744 5.935 1.070 1.00 0.00 H new ATOM 0 HA GLN A 521 3.233 4.285 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.203 3.342 -1.420 1.00 0.00 H new ATOM 0 HB3 GLN A 521 1.001 3.631 0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.962 4.552 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 521 0.019 5.968 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.268 6.890 -2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.809 6.069 -4.044 1.00 0.00 H new ATOM 245 N ASP A 522 1.858 7.187 -1.386 1.00 0.00 N ATOM 246 CA ASP A 522 1.783 8.322 -2.301 1.00 0.00 C ATOM 247 C ASP A 522 2.965 9.259 -2.079 1.00 0.00 C ATOM 248 O ASP A 522 3.082 10.305 -2.719 1.00 0.00 O ATOM 249 CB ASP A 522 0.471 9.079 -2.107 1.00 0.00 C ATOM 250 CG ASP A 522 -0.243 9.346 -3.417 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.447 9.519 -4.444 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.492 9.380 -3.417 1.00 0.00 O ATOM 0 H ASP A 522 1.480 7.374 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 522 1.820 7.944 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.183 8.504 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.672 10.026 -1.607 1.00 0.00 H new ATOM 257 N GLU A 523 3.836 8.859 -1.169 1.00 0.00 N ATOM 258 CA GLU A 523 5.029 9.621 -0.829 1.00 0.00 C ATOM 259 C GLU A 523 6.227 8.686 -0.767 1.00 0.00 C ATOM 260 O GLU A 523 7.369 9.095 -0.973 1.00 0.00 O ATOM 261 CB GLU A 523 4.839 10.333 0.513 1.00 0.00 C ATOM 262 CG GLU A 523 3.385 10.638 0.835 1.00 0.00 C ATOM 263 CD GLU A 523 3.222 11.891 1.674 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.685 11.893 2.834 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.631 12.869 1.170 1.00 0.00 O ATOM 0 H GLU A 523 3.737 7.992 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 523 5.204 10.376 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.257 9.714 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.405 11.265 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.828 10.753 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.949 9.791 1.365 1.00 0.00 H new ATOM 272 N GLY A 524 5.942 7.419 -0.495 1.00 0.00 N ATOM 273 CA GLY A 524 6.975 6.413 -0.426 1.00 0.00 C ATOM 274 C GLY A 524 6.808 5.370 -1.514 1.00 0.00 C ATOM 275 O GLY A 524 7.783 4.773 -1.967 1.00 0.00 O ATOM 0 H GLY A 524 5.000 7.071 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.952 6.886 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.949 5.929 0.550 1.00 0.00 H new ATOM 279 N ALA A 525 5.562 5.163 -1.943 1.00 0.00 N ATOM 280 CA ALA A 525 5.268 4.198 -2.995 1.00 0.00 C ATOM 281 C ALA A 525 4.943 4.907 -4.304 1.00 0.00 C ATOM 282 O ALA A 525 4.270 4.358 -5.176 1.00 0.00 O ATOM 283 CB ALA A 525 4.120 3.291 -2.576 1.00 0.00 C ATOM 0 H ALA A 525 4.744 5.651 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 525 6.154 3.583 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.912 2.576 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.394 2.754 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.231 3.893 -2.388 1.00 0.00 H new ATOM 289 N ALA A 526 5.424 6.136 -4.421 1.00 0.00 N ATOM 290 CA ALA A 526 5.190 6.948 -5.614 1.00 0.00 C ATOM 291 C ALA A 526 6.424 7.758 -6.014 1.00 0.00 C ATOM 292 O ALA A 526 6.424 8.437 -7.041 1.00 0.00 O ATOM 293 CB ALA A 526 4.015 7.882 -5.382 1.00 0.00 C ATOM 0 H ALA A 526 5.982 6.598 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 526 4.966 6.265 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.847 8.484 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.122 7.296 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.232 8.537 -4.539 1.00 0.00 H new ATOM 299 N ILE A 527 7.466 7.692 -5.198 1.00 0.00 N ATOM 300 CA ILE A 527 8.699 8.423 -5.457 1.00 0.00 C ATOM 301 C ILE A 527 9.910 7.572 -5.093 1.00 0.00 C ATOM 302 O ILE A 527 10.928 7.591 -5.785 1.00 0.00 O ATOM 303 CB ILE A 527 8.750 9.747 -4.660 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.665 9.761 -3.570 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.603 10.939 -5.597 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.321 10.288 -4.031 1.00 0.00 C ATOM 0 H ILE A 527 7.482 7.135 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 527 8.721 8.656 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 527 9.721 9.822 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.534 8.747 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 527 8.013 10.370 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.641 11.863 -5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.415 10.932 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.648 10.876 -6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.616 10.263 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.433 11.314 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.946 9.667 -4.844 1.00 0.00 H new ATOM 318 N GLY A 528 9.787 6.822 -4.001 1.00 0.00 N ATOM 319 CA GLY A 528 10.872 5.969 -3.561 1.00 0.00 C ATOM 320 C GLY A 528 11.062 4.766 -4.458 1.00 0.00 C ATOM 321 O GLY A 528 11.276 4.911 -5.660 1.00 0.00 O ATOM 0 H GLY A 528 8.953 6.791 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.796 6.547 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.675 5.632 -2.543 1.00 0.00 H new ATOM 325 N LEU A 529 10.996 3.573 -3.874 1.00 0.00 N ATOM 326 CA LEU A 529 11.179 2.346 -4.641 1.00 0.00 C ATOM 327 C LEU A 529 10.035 1.353 -4.425 1.00 0.00 C ATOM 328 O LEU A 529 10.212 0.313 -3.790 1.00 0.00 O ATOM 329 CB LEU A 529 12.514 1.693 -4.279 1.00 0.00 C ATOM 330 CG LEU A 529 13.711 2.162 -5.109 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.821 3.678 -5.080 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.994 1.522 -4.599 1.00 0.00 C ATOM 0 H LEU A 529 10.819 3.430 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 529 11.179 2.620 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.722 1.887 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.415 0.613 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 529 13.557 1.851 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.678 3.992 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.912 4.117 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 529 13.952 4.014 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.836 1.866 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 529 15.152 1.804 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.914 0.437 -4.673 1.00 0.00 H new ATOM 344 N ALA A 530 8.875 1.671 -4.986 1.00 0.00 N ATOM 345 CA ALA A 530 7.702 0.801 -4.894 1.00 0.00 C ATOM 346 C ALA A 530 7.551 0.007 -6.185 1.00 0.00 C ATOM 347 O ALA A 530 7.087 -1.133 -6.193 1.00 0.00 O ATOM 348 CB ALA A 530 6.451 1.623 -4.634 1.00 0.00 C ATOM 0 H ALA A 530 8.718 2.530 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 530 7.838 0.110 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.588 0.961 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.562 2.168 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.304 2.330 -5.450 1.00 0.00 H new ATOM 354 N TRP A 531 7.970 0.639 -7.269 1.00 0.00 N ATOM 355 CA TRP A 531 7.927 0.052 -8.606 1.00 0.00 C ATOM 356 C TRP A 531 8.980 -1.043 -8.742 1.00 0.00 C ATOM 357 O TRP A 531 8.944 -1.843 -9.677 1.00 0.00 O ATOM 358 CB TRP A 531 8.204 1.149 -9.643 1.00 0.00 C ATOM 359 CG TRP A 531 9.037 2.257 -9.079 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.344 2.182 -8.697 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.605 3.588 -8.785 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.753 3.385 -8.181 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.703 4.269 -8.231 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.395 4.269 -8.941 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.626 5.603 -7.830 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.318 5.590 -8.543 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.426 6.245 -7.993 1.00 0.00 C ATOM 0 H TRP A 531 8.354 1.584 -7.249 1.00 0.00 H new ATOM 0 HA TRP A 531 6.942 -0.384 -8.771 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.713 0.714 -10.503 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.258 1.554 -10.004 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.966 1.304 -8.788 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.684 3.590 -7.819 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.535 3.772 -9.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.480 6.111 -7.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.387 6.126 -8.658 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.333 7.278 -7.691 1.00 0.00 H new ATOM 378 N ILE A 532 9.933 -1.049 -7.814 1.00 0.00 N ATOM 379 CA ILE A 532 11.018 -2.011 -7.825 1.00 0.00 C ATOM 380 C ILE A 532 10.959 -2.935 -6.607 1.00 0.00 C ATOM 381 O ILE A 532 11.644 -2.704 -5.611 1.00 0.00 O ATOM 382 CB ILE A 532 12.358 -1.257 -7.840 1.00 0.00 C ATOM 383 CG1 ILE A 532 13.545 -2.211 -7.745 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.396 -0.242 -6.704 1.00 0.00 C ATOM 385 CD1 ILE A 532 14.866 -1.483 -7.743 1.00 0.00 C ATOM 0 H ILE A 532 9.970 -0.388 -7.038 1.00 0.00 H new ATOM 0 HA ILE A 532 10.923 -2.629 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 532 12.438 -0.733 -8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 532 13.459 -2.805 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.517 -2.907 -8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.348 0.288 -6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.581 0.472 -6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.286 -0.759 -5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 532 15.679 -2.205 -7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 532 14.967 -0.910 -8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 532 14.908 -0.807 -6.889 1.00 0.00 H new ATOM 397 N PRO A 533 10.140 -4.000 -6.670 1.00 0.00 N ATOM 398 CA PRO A 533 10.003 -4.959 -5.566 1.00 0.00 C ATOM 399 C PRO A 533 11.306 -5.702 -5.295 1.00 0.00 C ATOM 400 O PRO A 533 11.585 -6.730 -5.911 1.00 0.00 O ATOM 401 CB PRO A 533 8.925 -5.937 -6.057 1.00 0.00 C ATOM 402 CG PRO A 533 8.247 -5.244 -7.190 1.00 0.00 C ATOM 403 CD PRO A 533 9.286 -4.357 -7.813 1.00 0.00 C ATOM 0 HA PRO A 533 9.745 -4.465 -4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.368 -6.879 -6.381 1.00 0.00 H new ATOM 0 HB3 PRO A 533 8.218 -6.174 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 533 7.863 -5.963 -7.914 1.00 0.00 H new ATOM 0 HG3 PRO A 533 7.396 -4.661 -6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 533 9.847 -4.876 -8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 533 8.841 -3.476 -8.276 1.00 0.00 H new ATOM 411 N TYR A 534 12.108 -5.168 -4.379 1.00 0.00 N ATOM 412 CA TYR A 534 13.388 -5.775 -4.039 1.00 0.00 C ATOM 413 C TYR A 534 13.414 -6.233 -2.582 1.00 0.00 C ATOM 414 O TYR A 534 13.997 -7.268 -2.260 1.00 0.00 O ATOM 415 CB TYR A 534 14.516 -4.772 -4.301 1.00 0.00 C ATOM 416 CG TYR A 534 15.865 -5.208 -3.777 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.221 -6.550 -3.745 1.00 0.00 C ATOM 418 CD2 TYR A 534 16.782 -4.274 -3.317 1.00 0.00 C ATOM 419 CE1 TYR A 534 17.454 -6.950 -3.267 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.018 -4.663 -2.838 1.00 0.00 C ATOM 421 CZ TYR A 534 18.349 -6.001 -2.814 1.00 0.00 C ATOM 422 OH TYR A 534 19.579 -6.393 -2.339 1.00 0.00 O ATOM 0 H TYR A 534 11.893 -4.317 -3.860 1.00 0.00 H new ATOM 0 HA TYR A 534 13.531 -6.655 -4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 534 14.593 -4.601 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.252 -3.818 -3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 534 15.522 -7.293 -4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.525 -3.225 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.716 -7.998 -3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 534 18.721 -3.923 -2.484 1.00 0.00 H new ATOM 0 HH TYR A 534 20.089 -5.604 -2.061 1.00 0.00 H new ATOM 432 N PHE A 535 12.788 -5.456 -1.703 1.00 0.00 N ATOM 433 CA PHE A 535 12.754 -5.788 -0.280 1.00 0.00 C ATOM 434 C PHE A 535 11.321 -5.963 0.215 1.00 0.00 C ATOM 435 O PHE A 535 11.037 -6.861 1.007 1.00 0.00 O ATOM 436 CB PHE A 535 13.464 -4.704 0.544 1.00 0.00 C ATOM 437 CG PHE A 535 13.572 -3.376 -0.155 1.00 0.00 C ATOM 438 CD1 PHE A 535 14.437 -3.211 -1.226 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.809 -2.296 0.259 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.539 -1.994 -1.870 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.907 -1.075 -0.382 1.00 0.00 C ATOM 442 CZ PHE A 535 13.772 -0.924 -1.448 1.00 0.00 C ATOM 0 H PHE A 535 12.299 -4.595 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 535 13.278 -6.735 -0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.928 -4.566 1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.465 -5.052 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 535 15.038 -4.044 -1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 535 12.130 -2.409 1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 535 15.217 -1.878 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.308 -0.240 -0.050 1.00 0.00 H new ATOM 0 HZ PHE A 535 13.849 0.029 -1.951 1.00 0.00 H new ATOM 452 N GLY A 536 10.423 -5.102 -0.254 1.00 0.00 N ATOM 453 CA GLY A 536 9.031 -5.183 0.156 1.00 0.00 C ATOM 454 C GLY A 536 8.865 -5.188 1.669 1.00 0.00 C ATOM 455 O GLY A 536 9.054 -4.158 2.314 1.00 0.00 O ATOM 0 H GLY A 536 10.633 -4.350 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.483 -4.339 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.587 -6.088 -0.257 1.00 0.00 H new ATOM 459 N PRO A 537 8.510 -6.341 2.269 1.00 0.00 N ATOM 460 CA PRO A 537 8.323 -6.451 3.723 1.00 0.00 C ATOM 461 C PRO A 537 9.541 -5.971 4.510 1.00 0.00 C ATOM 462 O PRO A 537 9.443 -5.663 5.696 1.00 0.00 O ATOM 463 CB PRO A 537 8.103 -7.951 3.943 1.00 0.00 C ATOM 464 CG PRO A 537 7.591 -8.456 2.640 1.00 0.00 C ATOM 465 CD PRO A 537 8.260 -7.623 1.582 1.00 0.00 C ATOM 0 HA PRO A 537 7.499 -5.828 4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 537 9.031 -8.450 4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.388 -8.132 4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 537 7.826 -9.513 2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 537 6.507 -8.361 2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.186 -8.081 1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.622 -7.494 0.708 1.00 0.00 H new ATOM 473 N ALA A 538 10.687 -5.907 3.840 1.00 0.00 N ATOM 474 CA ALA A 538 11.922 -5.462 4.473 1.00 0.00 C ATOM 475 C ALA A 538 11.880 -3.963 4.747 1.00 0.00 C ATOM 476 O ALA A 538 12.519 -3.471 5.677 1.00 0.00 O ATOM 477 CB ALA A 538 13.119 -5.813 3.599 1.00 0.00 C ATOM 0 H ALA A 538 10.785 -6.158 2.856 1.00 0.00 H new ATOM 0 HA ALA A 538 12.025 -5.978 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 538 14.035 -5.475 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 538 13.161 -6.893 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 538 13.019 -5.323 2.631 1.00 0.00 H new ATOM 483 N ALA A 539 11.108 -3.246 3.938 1.00 0.00 N ATOM 484 CA ALA A 539 10.959 -1.805 4.095 1.00 0.00 C ATOM 485 C ALA A 539 9.843 -1.488 5.080 1.00 0.00 C ATOM 486 O ALA A 539 9.688 -0.350 5.523 1.00 0.00 O ATOM 487 CB ALA A 539 10.660 -1.163 2.755 1.00 0.00 C ATOM 0 H ALA A 539 10.574 -3.642 3.164 1.00 0.00 H new ATOM 0 HA ALA A 539 11.894 -1.402 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.551 -0.086 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.479 -1.364 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.735 -1.576 2.352 1.00 0.00 H new ATOM 493 N GLU A 540 9.062 -2.514 5.400 1.00 0.00 N ATOM 494 CA GLU A 540 7.935 -2.396 6.314 1.00 0.00 C ATOM 495 C GLU A 540 8.229 -1.477 7.506 1.00 0.00 C ATOM 496 O GLU A 540 8.956 -1.840 8.430 1.00 0.00 O ATOM 497 CB GLU A 540 7.531 -3.798 6.778 1.00 0.00 C ATOM 498 CG GLU A 540 8.419 -4.380 7.868 1.00 0.00 C ATOM 499 CD GLU A 540 8.173 -5.860 8.090 1.00 0.00 C ATOM 500 OE1 GLU A 540 7.618 -6.512 7.181 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.535 -6.367 9.173 1.00 0.00 O ATOM 0 H GLU A 540 9.195 -3.455 5.030 1.00 0.00 H new ATOM 0 HA GLU A 540 7.108 -1.928 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.504 -3.765 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 540 7.543 -4.469 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 540 9.464 -4.225 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.244 -3.842 8.800 1.00 0.00 H new ATOM 508 N GLY A 541 7.632 -0.286 7.477 1.00 0.00 N ATOM 509 CA GLY A 541 7.806 0.669 8.558 1.00 0.00 C ATOM 510 C GLY A 541 8.776 1.793 8.247 1.00 0.00 C ATOM 511 O GLY A 541 8.883 2.747 9.018 1.00 0.00 O ATOM 0 H GLY A 541 7.028 0.034 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.836 1.100 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 541 8.155 0.138 9.444 1.00 0.00 H new ATOM 515 N ILE A 542 9.487 1.693 7.135 1.00 0.00 N ATOM 516 CA ILE A 542 10.446 2.726 6.765 1.00 0.00 C ATOM 517 C ILE A 542 9.886 3.648 5.692 1.00 0.00 C ATOM 518 O ILE A 542 10.187 4.841 5.670 1.00 0.00 O ATOM 519 CB ILE A 542 11.767 2.122 6.262 1.00 0.00 C ATOM 520 CG1 ILE A 542 12.212 0.981 7.177 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.842 3.195 6.177 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.628 -0.256 6.423 1.00 0.00 C ATOM 0 H ILE A 542 9.421 0.916 6.478 1.00 0.00 H new ATOM 0 HA ILE A 542 10.640 3.302 7.670 1.00 0.00 H new ATOM 0 HB ILE A 542 11.608 1.718 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 542 13.045 1.321 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.397 0.729 7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.771 2.752 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.523 3.976 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 542 13.003 3.628 7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.932 -1.028 7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.790 -0.619 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.463 -0.017 5.765 1.00 0.00 H new ATOM 534 N TYR A 543 9.073 3.091 4.799 1.00 0.00 N ATOM 535 CA TYR A 543 8.480 3.887 3.721 1.00 0.00 C ATOM 536 C TYR A 543 7.650 3.026 2.760 1.00 0.00 C ATOM 537 O TYR A 543 6.503 2.691 3.055 1.00 0.00 O ATOM 538 CB TYR A 543 9.568 4.658 2.948 1.00 0.00 C ATOM 539 CG TYR A 543 10.928 3.989 2.950 1.00 0.00 C ATOM 540 CD1 TYR A 543 11.051 2.606 2.873 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.092 4.745 3.030 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.292 1.998 2.875 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.336 4.144 3.031 1.00 0.00 C ATOM 544 CZ TYR A 543 13.431 2.771 2.955 1.00 0.00 C ATOM 545 OH TYR A 543 14.668 2.169 2.957 1.00 0.00 O ATOM 0 H TYR A 543 8.810 2.105 4.796 1.00 0.00 H new ATOM 0 HA TYR A 543 7.804 4.604 4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.241 4.787 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.666 5.655 3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.161 1.997 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.023 5.821 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.369 0.922 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.230 4.747 3.091 1.00 0.00 H new ATOM 0 HH TYR A 543 15.365 2.855 3.017 1.00 0.00 H new ATOM 555 N ILE A 544 8.225 2.685 1.603 1.00 0.00 N ATOM 556 CA ILE A 544 7.526 1.884 0.601 1.00 0.00 C ATOM 557 C ILE A 544 6.941 0.617 1.208 1.00 0.00 C ATOM 558 O ILE A 544 5.728 0.490 1.346 1.00 0.00 O ATOM 559 CB ILE A 544 8.462 1.502 -0.561 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.297 2.711 -0.992 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.661 0.958 -1.734 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.770 2.569 -0.672 1.00 0.00 C ATOM 0 H ILE A 544 9.173 2.953 1.340 1.00 0.00 H new ATOM 0 HA ILE A 544 6.713 2.501 0.218 1.00 0.00 H new ATOM 0 HB ILE A 544 9.139 0.720 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.179 2.861 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.910 3.604 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.339 0.693 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.109 0.072 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.960 1.718 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.302 3.460 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.899 2.449 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.171 1.695 -1.185 1.00 0.00 H new ATOM 574 N GLU A 545 7.812 -0.314 1.578 1.00 0.00 N ATOM 575 CA GLU A 545 7.388 -1.571 2.183 1.00 0.00 C ATOM 576 C GLU A 545 6.684 -2.463 1.165 1.00 0.00 C ATOM 577 O GLU A 545 6.342 -2.022 0.068 1.00 0.00 O ATOM 578 CB GLU A 545 6.460 -1.312 3.372 1.00 0.00 C ATOM 579 CG GLU A 545 6.829 -0.082 4.193 1.00 0.00 C ATOM 580 CD GLU A 545 5.629 0.535 4.884 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.844 1.228 4.203 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.474 0.326 6.106 1.00 0.00 O ATOM 0 H GLU A 545 8.822 -0.221 1.469 1.00 0.00 H new ATOM 0 HA GLU A 545 8.283 -2.085 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.440 -1.198 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.469 -2.186 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.573 -0.358 4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.291 0.660 3.542 1.00 0.00 H new ATOM 589 N GLY A 546 6.471 -3.721 1.541 1.00 0.00 N ATOM 590 CA GLY A 546 5.805 -4.659 0.657 1.00 0.00 C ATOM 591 C GLY A 546 4.330 -4.351 0.509 1.00 0.00 C ATOM 592 O GLY A 546 3.480 -5.085 1.012 1.00 0.00 O ATOM 0 H GLY A 546 6.748 -4.107 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.281 -4.633 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.927 -5.671 1.044 1.00 0.00 H new ATOM 596 N LEU A 547 4.029 -3.253 -0.172 1.00 0.00 N ATOM 597 CA LEU A 547 2.651 -2.830 -0.376 1.00 0.00 C ATOM 598 C LEU A 547 2.443 -2.330 -1.799 1.00 0.00 C ATOM 599 O LEU A 547 1.759 -1.331 -2.020 1.00 0.00 O ATOM 600 CB LEU A 547 2.301 -1.722 0.614 1.00 0.00 C ATOM 601 CG LEU A 547 3.281 -0.550 0.626 1.00 0.00 C ATOM 602 CD1 LEU A 547 3.075 0.333 -0.597 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.136 0.256 1.908 1.00 0.00 C ATOM 0 H LEU A 547 4.724 -2.637 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 547 1.999 -3.688 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.306 -1.344 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.253 -2.149 1.616 1.00 0.00 H new ATOM 0 HG LEU A 547 4.295 -0.948 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.782 1.162 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.238 -0.254 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 547 2.057 0.724 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.842 1.086 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.120 0.645 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.341 -0.385 2.766 1.00 0.00 H new ATOM 615 N MET A 548 3.027 -3.023 -2.766 1.00 0.00 N ATOM 616 CA MET A 548 2.896 -2.632 -4.166 1.00 0.00 C ATOM 617 C MET A 548 1.468 -2.805 -4.672 1.00 0.00 C ATOM 618 O MET A 548 1.248 -3.151 -5.834 1.00 0.00 O ATOM 619 CB MET A 548 3.839 -3.445 -5.039 1.00 0.00 C ATOM 620 CG MET A 548 5.236 -3.602 -4.458 1.00 0.00 C ATOM 621 SD MET A 548 5.712 -5.329 -4.239 1.00 0.00 S ATOM 622 CE MET A 548 5.203 -5.607 -2.545 1.00 0.00 C ATOM 0 H MET A 548 3.595 -3.856 -2.610 1.00 0.00 H new ATOM 0 HA MET A 548 3.157 -1.576 -4.227 1.00 0.00 H new ATOM 0 HB2 MET A 548 3.409 -4.434 -5.198 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.914 -2.969 -6.017 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.955 -3.112 -5.115 1.00 0.00 H new ATOM 0 HG3 MET A 548 5.284 -3.092 -3.496 1.00 0.00 H new ATOM 0 HE1 MET A 548 5.862 -6.342 -2.083 1.00 0.00 H new ATOM 0 HE2 MET A 548 5.259 -4.671 -1.990 1.00 0.00 H new ATOM 0 HE3 MET A 548 4.178 -5.978 -2.529 1.00 0.00 H new ATOM 632 N HIS A 549 0.503 -2.542 -3.806 1.00 0.00 N ATOM 633 CA HIS A 549 -0.901 -2.644 -4.168 1.00 0.00 C ATOM 634 C HIS A 549 -1.528 -1.256 -4.168 1.00 0.00 C ATOM 635 O HIS A 549 -2.608 -1.048 -4.719 1.00 0.00 O ATOM 636 CB HIS A 549 -1.642 -3.561 -3.191 1.00 0.00 C ATOM 637 CG HIS A 549 -0.823 -4.726 -2.724 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.587 -4.995 -1.393 1.00 0.00 N ATOM 639 CD2 HIS A 549 -0.176 -5.690 -3.420 1.00 0.00 C ATOM 640 CE1 HIS A 549 0.170 -6.073 -1.290 1.00 0.00 C ATOM 641 NE2 HIS A 549 0.433 -6.514 -2.507 1.00 0.00 N ATOM 0 H HIS A 549 0.668 -2.255 -2.841 1.00 0.00 H new ATOM 0 HA HIS A 549 -0.980 -3.075 -5.166 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -1.956 -2.978 -2.325 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.548 -3.933 -3.670 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -0.145 -5.792 -4.495 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.515 -6.518 -0.368 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.997 -7.334 -2.732 1.00 0.00 H new ATOM 650 N ASN A 550 -0.823 -0.307 -3.550 1.00 0.00 N ATOM 651 CA ASN A 550 -1.277 1.082 -3.470 1.00 0.00 C ATOM 652 C ASN A 550 -2.535 1.238 -2.617 1.00 0.00 C ATOM 653 O ASN A 550 -2.586 2.111 -1.751 1.00 0.00 O ATOM 654 CB ASN A 550 -1.506 1.645 -4.872 1.00 0.00 C ATOM 655 CG ASN A 550 -0.270 1.522 -5.745 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.365 1.221 -6.935 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.901 1.753 -5.155 1.00 0.00 N ATOM 0 H ASN A 550 0.073 -0.478 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.488 1.651 -2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.336 1.118 -5.343 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.795 2.693 -4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.765 1.683 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.934 2.000 -4.166 1.00 0.00 H new ATOM 664 N GLN A 551 -3.544 0.401 -2.867 1.00 0.00 N ATOM 665 CA GLN A 551 -4.804 0.438 -2.131 1.00 0.00 C ATOM 666 C GLN A 551 -5.801 1.360 -2.813 1.00 0.00 C ATOM 667 O GLN A 551 -5.485 2.497 -3.156 1.00 0.00 O ATOM 668 CB GLN A 551 -4.601 0.862 -0.675 1.00 0.00 C ATOM 669 CG GLN A 551 -3.509 0.082 0.037 1.00 0.00 C ATOM 670 CD GLN A 551 -3.598 0.198 1.547 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.861 1.274 2.084 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.378 -0.914 2.239 1.00 0.00 N ATOM 0 H GLN A 551 -3.508 -0.321 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.205 -0.576 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.357 1.924 -0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.539 0.735 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.574 -0.968 -0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.535 0.443 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.163 -1.784 1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.424 -0.898 3.258 1.00 0.00 H new ATOM 681 N ASP A 552 -7.004 0.843 -3.013 1.00 0.00 N ATOM 682 CA ASP A 552 -8.074 1.594 -3.662 1.00 0.00 C ATOM 683 C ASP A 552 -9.447 1.011 -3.320 1.00 0.00 C ATOM 684 O ASP A 552 -10.231 0.678 -4.209 1.00 0.00 O ATOM 685 CB ASP A 552 -7.870 1.598 -5.179 1.00 0.00 C ATOM 686 CG ASP A 552 -8.356 2.882 -5.823 1.00 0.00 C ATOM 687 OD1 ASP A 552 -9.301 3.496 -5.283 1.00 0.00 O ATOM 688 OD2 ASP A 552 -7.792 3.275 -6.866 1.00 0.00 O ATOM 0 H ASP A 552 -7.267 -0.102 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.039 2.618 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -6.812 1.461 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.400 0.752 -5.617 1.00 0.00 H new ATOM 693 N GLY A 553 -9.734 0.895 -2.025 1.00 0.00 N ATOM 694 CA GLY A 553 -11.013 0.362 -1.586 1.00 0.00 C ATOM 695 C GLY A 553 -11.175 -1.114 -1.899 1.00 0.00 C ATOM 696 O GLY A 553 -12.204 -1.532 -2.431 1.00 0.00 O ATOM 0 H GLY A 553 -9.102 1.161 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.115 0.514 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.817 0.920 -2.065 1.00 0.00 H new ATOM 700 N LEU A 554 -10.161 -1.907 -1.569 1.00 0.00 N ATOM 701 CA LEU A 554 -10.204 -3.344 -1.822 1.00 0.00 C ATOM 702 C LEU A 554 -10.320 -4.137 -0.523 1.00 0.00 C ATOM 703 O LEU A 554 -10.830 -5.257 -0.515 1.00 0.00 O ATOM 704 CB LEU A 554 -8.953 -3.783 -2.585 1.00 0.00 C ATOM 705 CG LEU A 554 -8.609 -2.934 -3.809 1.00 0.00 C ATOM 706 CD1 LEU A 554 -7.437 -3.542 -4.564 1.00 0.00 C ATOM 707 CD2 LEU A 554 -9.820 -2.796 -4.720 1.00 0.00 C ATOM 0 H LEU A 554 -9.302 -1.581 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 554 -11.089 -3.548 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -8.105 -3.767 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -9.085 -4.817 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 554 -8.321 -1.939 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -7.205 -2.926 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.567 -3.589 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -7.698 -4.548 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -9.557 -2.189 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -10.139 -3.784 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -10.633 -2.317 -4.174 1.00 0.00 H new ATOM 719 N ILE A 555 -9.831 -3.559 0.569 1.00 0.00 N ATOM 720 CA ILE A 555 -9.870 -4.227 1.867 1.00 0.00 C ATOM 721 C ILE A 555 -10.984 -3.666 2.753 1.00 0.00 C ATOM 722 O ILE A 555 -11.423 -4.317 3.701 1.00 0.00 O ATOM 723 CB ILE A 555 -8.516 -4.111 2.604 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.343 -4.157 1.616 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.376 -5.223 3.632 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.425 -2.958 1.714 1.00 0.00 C ATOM 0 H ILE A 555 -9.404 -2.633 0.583 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.074 -5.280 1.671 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.494 -3.149 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.764 -5.063 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.735 -4.223 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.418 -5.128 4.143 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.184 -5.149 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.426 -6.190 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.619 -3.057 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.990 -2.049 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.004 -2.903 2.718 1.00 0.00 H new ATOM 738 N CYS A 556 -11.433 -2.456 2.440 1.00 0.00 N ATOM 739 CA CYS A 556 -12.494 -1.803 3.202 1.00 0.00 C ATOM 740 C CYS A 556 -13.869 -2.377 2.884 1.00 0.00 C ATOM 741 O CYS A 556 -14.876 -1.922 3.426 1.00 0.00 O ATOM 742 CB CYS A 556 -12.482 -0.293 2.932 1.00 0.00 C ATOM 743 SG CYS A 556 -13.439 0.716 4.123 1.00 0.00 S ATOM 0 H CYS A 556 -11.077 -1.904 1.660 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.298 -1.990 4.258 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.448 0.053 2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.875 -0.115 1.931 1.00 0.00 H new ATOM 748 N GLY A 557 -13.912 -3.377 2.017 1.00 0.00 N ATOM 749 CA GLY A 557 -15.167 -3.984 1.665 1.00 0.00 C ATOM 750 C GLY A 557 -14.980 -5.106 0.679 1.00 0.00 C ATOM 751 O GLY A 557 -14.191 -6.022 0.908 1.00 0.00 O ATOM 0 H GLY A 557 -13.096 -3.776 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.653 -4.365 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.830 -3.231 1.239 1.00 0.00 H new ATOM 755 N LEU A 558 -15.705 -5.033 -0.419 1.00 0.00 N ATOM 756 CA LEU A 558 -15.622 -6.051 -1.450 1.00 0.00 C ATOM 757 C LEU A 558 -15.931 -5.459 -2.824 1.00 0.00 C ATOM 758 O LEU A 558 -15.339 -5.854 -3.829 1.00 0.00 O ATOM 759 CB LEU A 558 -16.579 -7.205 -1.131 1.00 0.00 C ATOM 760 CG LEU A 558 -17.186 -7.192 0.279 1.00 0.00 C ATOM 761 CD1 LEU A 558 -18.478 -7.993 0.309 1.00 0.00 C ATOM 762 CD2 LEU A 558 -16.192 -7.736 1.303 1.00 0.00 C ATOM 0 H LEU A 558 -16.360 -4.278 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.603 -6.438 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -17.392 -7.191 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -16.045 -8.145 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 558 -17.414 -6.159 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.895 -7.973 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -19.193 -7.556 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -18.274 -9.024 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -16.644 -7.717 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.928 -8.761 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -15.294 -7.118 1.302 1.00 0.00 H new ATOM 774 N ARG A 559 -16.857 -4.504 -2.860 1.00 0.00 N ATOM 775 CA ARG A 559 -17.238 -3.852 -4.106 1.00 0.00 C ATOM 776 C ARG A 559 -17.271 -2.335 -3.936 1.00 0.00 C ATOM 777 O ARG A 559 -18.191 -1.667 -4.407 1.00 0.00 O ATOM 778 CB ARG A 559 -18.606 -4.355 -4.574 1.00 0.00 C ATOM 779 CG ARG A 559 -19.579 -4.630 -3.436 1.00 0.00 C ATOM 780 CD ARG A 559 -20.996 -4.212 -3.796 1.00 0.00 C ATOM 781 NE ARG A 559 -21.845 -5.361 -4.097 1.00 0.00 N ATOM 782 CZ ARG A 559 -22.408 -6.131 -3.167 1.00 0.00 C ATOM 783 NH1 ARG A 559 -22.214 -5.876 -1.879 1.00 0.00 N ATOM 784 NH2 ARG A 559 -23.166 -7.157 -3.527 1.00 0.00 N ATOM 0 H ARG A 559 -17.357 -4.165 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 559 -16.492 -4.100 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -19.045 -3.616 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -18.469 -5.269 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -19.563 -5.692 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -19.257 -4.094 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -21.429 -3.648 -2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -20.969 -3.545 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 559 -22.017 -5.587 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -21.632 -5.087 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.647 -6.469 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -23.318 -7.357 -4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -23.597 -7.747 -2.815 1.00 0.00 H new ATOM 798 N GLN A 560 -16.261 -1.795 -3.256 1.00 0.00 N ATOM 799 CA GLN A 560 -16.176 -0.354 -3.021 1.00 0.00 C ATOM 800 C GLN A 560 -16.329 0.422 -4.326 1.00 0.00 C ATOM 801 O GLN A 560 -17.473 0.795 -4.662 1.00 0.00 O ATOM 802 CB GLN A 560 -14.839 0.010 -2.358 1.00 0.00 C ATOM 803 CG GLN A 560 -14.676 -0.506 -0.930 1.00 0.00 C ATOM 804 CD GLN A 560 -15.992 -0.651 -0.188 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.390 0.230 0.574 1.00 0.00 O ATOM 806 NE2 GLN A 560 -16.673 -1.769 -0.409 1.00 0.00 N ATOM 807 OXT GLN A 560 -15.304 0.651 -5.002 1.00 0.00 O ATOM 0 H GLN A 560 -15.491 -2.333 -2.858 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.991 -0.079 -2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -14.027 -0.385 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.735 1.095 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.174 -1.473 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.029 0.175 -0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.305 -2.472 -1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.565 -1.925 0.061 1.00 0.00 H new TER 816 GLN A 560