USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 384 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 Single : A 508 GLN : amide:sc=-0.000951 K(o=-0.00095,f=-1) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -2.37 K(o=-2.4,f=-4!) USER MOD Single : A 514 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.44) USER MOD Single : A 516 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.51) USER MOD Single : A 517 TYR OH : rot 161:sc= -0.251 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot 180:sc= 0 USER MOD Single : A 521 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) 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 175:sc= 0 (180deg=-0.0382) USER MOD Single : A 549 HIS : no HD1:sc= -7.15! C(o=-7.1!,f=-8.2!) USER MOD Single : A 550 ASN :FLIP amide:sc= -2.4! F(o=-3.5,f=-2.4!) USER MOD Single : A 551 GLN : amide:sc= -3.27 K(o=-3.3,f=-9.2!) USER MOD Single : A 560 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -17.563 5.766 -3.712 1.00 0.00 N ATOM 2 CA ALA A 507 -17.005 5.424 -2.378 1.00 0.00 C ATOM 3 C ALA A 507 -16.424 4.014 -2.373 1.00 0.00 C ATOM 4 O ALA A 507 -16.761 3.190 -3.223 1.00 0.00 O ATOM 5 CB ALA A 507 -18.078 5.556 -1.308 1.00 0.00 C ATOM 0 HA ALA A 507 -16.199 6.124 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -17.655 5.302 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -18.447 6.581 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -18.902 4.879 -1.533 1.00 0.00 H new ATOM 13 N GLN A 508 -15.548 3.744 -1.410 1.00 0.00 N ATOM 14 CA GLN A 508 -14.921 2.432 -1.295 1.00 0.00 C ATOM 15 C GLN A 508 -15.835 1.453 -0.561 1.00 0.00 C ATOM 16 O GLN A 508 -16.633 1.855 0.287 1.00 0.00 O ATOM 17 CB GLN A 508 -13.583 2.547 -0.560 1.00 0.00 C ATOM 18 CG GLN A 508 -13.719 3.016 0.880 1.00 0.00 C ATOM 19 CD GLN A 508 -12.393 3.435 1.483 1.00 0.00 C ATOM 20 OE1 GLN A 508 -11.339 3.268 0.871 1.00 0.00 O ATOM 21 NE2 GLN A 508 -12.441 3.982 2.693 1.00 0.00 N ATOM 0 H GLN A 508 -15.257 4.415 -0.699 1.00 0.00 H new ATOM 0 HA GLN A 508 -14.745 2.051 -2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -13.087 1.577 -0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -12.939 3.241 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -14.414 3.855 0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -14.150 2.215 1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -13.338 4.101 3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -11.581 4.283 3.151 1.00 0.00 H new ATOM 30 N PRO A 509 -15.732 0.150 -0.877 1.00 0.00 N ATOM 31 CA PRO A 509 -16.539 -0.884 -0.257 1.00 0.00 C ATOM 32 C PRO A 509 -15.814 -1.559 0.901 1.00 0.00 C ATOM 33 O PRO A 509 -16.117 -2.698 1.258 1.00 0.00 O ATOM 34 CB PRO A 509 -16.736 -1.863 -1.410 1.00 0.00 C ATOM 35 CG PRO A 509 -15.497 -1.735 -2.248 1.00 0.00 C ATOM 36 CD PRO A 509 -14.820 -0.434 -1.865 1.00 0.00 C ATOM 0 HA PRO A 509 -17.464 -0.503 0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -16.861 -2.882 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -17.629 -1.619 -1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.829 -2.579 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.749 -1.738 -3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -13.829 -0.606 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -14.691 0.220 -2.727 1.00 0.00 H new ATOM 44 N LYS A 510 -14.856 -0.847 1.481 1.00 0.00 N ATOM 45 CA LYS A 510 -14.085 -1.370 2.597 1.00 0.00 C ATOM 46 C LYS A 510 -13.353 -2.650 2.202 1.00 0.00 C ATOM 47 O LYS A 510 -13.719 -3.745 2.631 1.00 0.00 O ATOM 48 CB LYS A 510 -15.006 -1.638 3.783 1.00 0.00 C ATOM 49 CG LYS A 510 -15.420 -0.379 4.526 1.00 0.00 C ATOM 50 CD LYS A 510 -15.699 -0.662 5.995 1.00 0.00 C ATOM 51 CE LYS A 510 -17.161 -0.428 6.342 1.00 0.00 C ATOM 52 NZ LYS A 510 -17.478 1.021 6.476 1.00 0.00 N ATOM 0 H LYS A 510 -14.595 0.097 1.195 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.341 -0.626 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -15.900 -2.152 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -14.504 -2.312 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -14.632 0.369 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -16.311 0.043 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -15.430 -1.693 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -15.070 -0.023 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -17.792 -0.867 5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -17.398 -0.939 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -18.484 1.136 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -16.895 1.436 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -17.276 1.505 5.578 1.00 0.00 H new ATOM 66 N CYS A 511 -12.319 -2.504 1.380 1.00 0.00 N ATOM 67 CA CYS A 511 -11.538 -3.649 0.927 1.00 0.00 C ATOM 68 C CYS A 511 -10.051 -3.311 0.880 1.00 0.00 C ATOM 69 O CYS A 511 -9.310 -3.841 0.051 1.00 0.00 O ATOM 70 CB CYS A 511 -12.012 -4.098 -0.456 1.00 0.00 C ATOM 71 SG CYS A 511 -12.205 -2.737 -1.652 1.00 0.00 S ATOM 0 H CYS A 511 -12.003 -1.606 1.015 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.685 -4.462 1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -11.301 -4.821 -0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.966 -4.614 -0.352 1.00 0.00 H new ATOM 76 N ASN A 512 -9.621 -2.427 1.774 1.00 0.00 N ATOM 77 CA ASN A 512 -8.220 -2.020 1.833 1.00 0.00 C ATOM 78 C ASN A 512 -7.372 -3.093 2.507 1.00 0.00 C ATOM 79 O ASN A 512 -7.864 -3.846 3.347 1.00 0.00 O ATOM 80 CB ASN A 512 -8.079 -0.698 2.591 1.00 0.00 C ATOM 81 CG ASN A 512 -9.163 0.301 2.228 1.00 0.00 C ATOM 82 OD1 ASN A 512 -9.782 0.205 1.169 1.00 0.00 O ATOM 83 ND2 ASN A 512 -9.394 1.268 3.109 1.00 0.00 N ATOM 0 H ASN A 512 -10.221 -1.979 2.467 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.865 -1.885 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -8.113 -0.893 3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -7.103 -0.263 2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -10.109 1.970 2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -8.856 1.308 3.975 1.00 0.00 H new ATOM 90 N PRO A 513 -6.080 -3.183 2.145 1.00 0.00 N ATOM 91 CA PRO A 513 -5.172 -4.177 2.723 1.00 0.00 C ATOM 92 C PRO A 513 -4.771 -3.848 4.166 1.00 0.00 C ATOM 93 O PRO A 513 -5.403 -4.315 5.114 1.00 0.00 O ATOM 94 CB PRO A 513 -3.960 -4.128 1.789 1.00 0.00 C ATOM 95 CG PRO A 513 -3.963 -2.746 1.231 1.00 0.00 C ATOM 96 CD PRO A 513 -5.406 -2.328 1.143 1.00 0.00 C ATOM 0 HA PRO A 513 -5.634 -5.162 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -3.036 -4.334 2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -4.040 -4.874 0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -3.400 -2.067 1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -3.491 -2.722 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -5.531 -1.269 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -5.809 -2.489 0.143 1.00 0.00 H new ATOM 104 N ASN A 514 -3.715 -3.052 4.324 1.00 0.00 N ATOM 105 CA ASN A 514 -3.220 -2.669 5.640 1.00 0.00 C ATOM 106 C ASN A 514 -2.994 -1.169 5.708 1.00 0.00 C ATOM 107 O ASN A 514 -3.687 -0.450 6.426 1.00 0.00 O ATOM 108 CB ASN A 514 -1.897 -3.372 5.916 1.00 0.00 C ATOM 109 CG ASN A 514 -2.057 -4.608 6.778 1.00 0.00 C ATOM 110 OD1 ASN A 514 -1.464 -4.711 7.852 1.00 0.00 O ATOM 111 ND2 ASN A 514 -2.864 -5.555 6.311 1.00 0.00 N ATOM 0 H ASN A 514 -3.183 -2.658 3.548 1.00 0.00 H new ATOM 0 HA ASN A 514 -3.963 -2.958 6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -1.435 -3.652 4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -1.217 -2.677 6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -3.012 -6.409 6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -3.335 -5.427 5.415 1.00 0.00 H new ATOM 118 N LEU A 515 -2.004 -0.723 4.939 1.00 0.00 N ATOM 119 CA LEU A 515 -1.628 0.679 4.857 1.00 0.00 C ATOM 120 C LEU A 515 -1.788 1.389 6.198 1.00 0.00 C ATOM 121 O LEU A 515 -2.365 2.473 6.280 1.00 0.00 O ATOM 122 CB LEU A 515 -2.459 1.352 3.773 1.00 0.00 C ATOM 123 CG LEU A 515 -3.951 1.487 4.079 1.00 0.00 C ATOM 124 CD1 LEU A 515 -4.302 2.927 4.428 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.783 1.006 2.900 1.00 0.00 C ATOM 0 H LEU A 515 -1.437 -1.334 4.351 1.00 0.00 H new ATOM 0 HA LEU A 515 -0.571 0.745 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.051 2.346 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.345 0.787 2.848 1.00 0.00 H new ATOM 0 HG LEU A 515 -4.180 0.861 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.368 3.000 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.734 3.238 5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.056 3.576 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.842 1.109 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.547 1.604 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.557 -0.041 2.698 1.00 0.00 H new ATOM 137 N HIS A 516 -1.270 0.759 7.247 1.00 0.00 N ATOM 138 CA HIS A 516 -1.350 1.313 8.591 1.00 0.00 C ATOM 139 C HIS A 516 -0.023 1.938 9.029 1.00 0.00 C ATOM 140 O HIS A 516 0.047 2.567 10.085 1.00 0.00 O ATOM 141 CB HIS A 516 -1.763 0.227 9.585 1.00 0.00 C ATOM 142 CG HIS A 516 -3.238 0.179 9.841 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.027 1.308 9.909 1.00 0.00 N ATOM 144 CD2 HIS A 516 -4.069 -0.871 10.046 1.00 0.00 C ATOM 145 CE1 HIS A 516 -5.279 0.955 10.147 1.00 0.00 C ATOM 146 NE2 HIS A 516 -5.330 -0.362 10.232 1.00 0.00 N ATOM 0 H HIS A 516 -0.789 -0.139 7.190 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.103 2.101 8.576 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -1.436 -0.742 9.208 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -1.244 0.393 10.529 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.791 -1.915 10.060 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -6.117 1.628 10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -6.171 -0.912 10.408 1.00 0.00 H new ATOM 155 N TYR A 517 1.030 1.770 8.226 1.00 0.00 N ATOM 156 CA TYR A 517 2.330 2.334 8.574 1.00 0.00 C ATOM 157 C TYR A 517 2.449 3.771 8.070 1.00 0.00 C ATOM 158 O TYR A 517 3.185 4.578 8.638 1.00 0.00 O ATOM 159 CB TYR A 517 3.471 1.457 8.023 1.00 0.00 C ATOM 160 CG TYR A 517 3.876 1.761 6.593 1.00 0.00 C ATOM 161 CD1 TYR A 517 4.434 2.987 6.251 1.00 0.00 C ATOM 162 CD2 TYR A 517 3.696 0.821 5.584 1.00 0.00 C ATOM 163 CE1 TYR A 517 4.797 3.270 4.952 1.00 0.00 C ATOM 164 CE2 TYR A 517 4.059 1.096 4.283 1.00 0.00 C ATOM 165 CZ TYR A 517 4.607 2.323 3.970 1.00 0.00 C ATOM 166 OH TYR A 517 4.970 2.600 2.673 1.00 0.00 O ATOM 0 H TYR A 517 1.007 1.256 7.345 1.00 0.00 H new ATOM 0 HA TYR A 517 2.415 2.351 9.661 1.00 0.00 H new ATOM 0 HB2 TYR A 517 4.344 1.575 8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 517 3.169 0.412 8.085 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.586 3.732 7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 517 3.265 -0.140 5.824 1.00 0.00 H new ATOM 0 HE1 TYR A 517 5.228 4.229 4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 517 3.915 0.354 3.512 1.00 0.00 H new ATOM 0 HH TYR A 517 5.061 1.762 2.173 1.00 0.00 H new ATOM 176 N TRP A 518 1.719 4.083 7.003 1.00 0.00 N ATOM 177 CA TRP A 518 1.739 5.413 6.423 1.00 0.00 C ATOM 178 C TRP A 518 0.408 6.107 6.644 1.00 0.00 C ATOM 179 O TRP A 518 -0.651 5.556 6.345 1.00 0.00 O ATOM 180 CB TRP A 518 2.053 5.345 4.932 1.00 0.00 C ATOM 181 CG TRP A 518 2.808 6.542 4.439 1.00 0.00 C ATOM 182 CD1 TRP A 518 2.379 7.451 3.519 1.00 0.00 C ATOM 183 CD2 TRP A 518 4.117 6.961 4.840 1.00 0.00 C ATOM 184 NE1 TRP A 518 3.342 8.410 3.318 1.00 0.00 N ATOM 185 CE2 TRP A 518 4.419 8.131 4.118 1.00 0.00 C ATOM 186 CE3 TRP A 518 5.065 6.461 5.738 1.00 0.00 C ATOM 187 CZ2 TRP A 518 5.627 8.809 4.267 1.00 0.00 C ATOM 188 CZ3 TRP A 518 6.263 7.134 5.885 1.00 0.00 C ATOM 189 CH2 TRP A 518 6.535 8.297 5.154 1.00 0.00 C ATOM 0 H TRP A 518 1.104 3.425 6.524 1.00 0.00 H new ATOM 0 HA TRP A 518 2.522 5.989 6.917 1.00 0.00 H new ATOM 0 HB2 TRP A 518 2.635 4.446 4.729 1.00 0.00 H new ATOM 0 HB3 TRP A 518 1.121 5.254 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.421 7.422 3.020 1.00 0.00 H new ATOM 0 HE1 TRP A 518 3.267 9.201 2.678 1.00 0.00 H new ATOM 0 HE3 TRP A 518 4.865 5.565 6.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 5.839 9.706 3.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 7.002 6.756 6.576 1.00 0.00 H new ATOM 0 HH2 TRP A 518 7.480 8.800 5.293 1.00 0.00 H new ATOM 200 N THR A 519 0.491 7.320 7.173 1.00 0.00 N ATOM 201 CA THR A 519 -0.674 8.160 7.467 1.00 0.00 C ATOM 202 C THR A 519 -1.944 7.680 6.760 1.00 0.00 C ATOM 203 O THR A 519 -2.954 7.408 7.408 1.00 0.00 O ATOM 204 CB THR A 519 -0.374 9.603 7.068 1.00 0.00 C ATOM 205 OG1 THR A 519 -1.558 10.381 7.059 1.00 0.00 O ATOM 206 CG2 THR A 519 0.267 9.723 5.701 1.00 0.00 C ATOM 0 H THR A 519 1.379 7.759 7.415 1.00 0.00 H new ATOM 0 HA THR A 519 -0.861 8.092 8.539 1.00 0.00 H new ATOM 0 HB THR A 519 0.329 9.969 7.816 1.00 0.00 H new ATOM 0 HG1 THR A 519 -1.342 11.302 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.454 10.773 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 519 1.210 9.176 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 519 -0.401 9.306 4.948 1.00 0.00 H new ATOM 214 N THR A 520 -1.885 7.577 5.434 1.00 0.00 N ATOM 215 CA THR A 520 -3.038 7.127 4.654 1.00 0.00 C ATOM 216 C THR A 520 -2.727 7.103 3.158 1.00 0.00 C ATOM 217 O THR A 520 -3.045 6.135 2.466 1.00 0.00 O ATOM 218 CB THR A 520 -4.252 8.029 4.917 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.457 7.340 4.635 1.00 0.00 O ATOM 220 CG2 THR A 520 -4.256 9.306 4.097 1.00 0.00 C ATOM 0 H THR A 520 -1.058 7.797 4.879 1.00 0.00 H new ATOM 0 HA THR A 520 -3.270 6.110 4.971 1.00 0.00 H new ATOM 0 HB THR A 520 -4.180 8.298 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 520 -6.220 7.930 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 520 -5.144 9.890 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 520 -3.364 9.889 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 520 -4.262 9.057 3.036 1.00 0.00 H new ATOM 228 N GLN A 521 -2.124 8.182 2.662 1.00 0.00 N ATOM 229 CA GLN A 521 -1.790 8.295 1.244 1.00 0.00 C ATOM 230 C GLN A 521 -1.182 7.010 0.704 1.00 0.00 C ATOM 231 O GLN A 521 -0.574 6.236 1.443 1.00 0.00 O ATOM 232 CB GLN A 521 -0.826 9.454 1.006 1.00 0.00 C ATOM 233 CG GLN A 521 0.468 9.344 1.794 1.00 0.00 C ATOM 234 CD GLN A 521 1.344 10.574 1.653 1.00 0.00 C ATOM 235 OE1 GLN A 521 1.324 11.465 2.502 1.00 0.00 O ATOM 236 NE2 GLN A 521 2.119 10.626 0.576 1.00 0.00 N ATOM 0 H GLN A 521 -1.857 8.991 3.222 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.722 8.484 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -0.590 9.506 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -1.323 10.388 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 521 0.235 9.187 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 521 1.021 8.468 1.456 1.00 0.00 H new ATOM 0 HE21 GLN A 521 2.102 9.864 -0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 521 2.731 11.428 0.426 1.00 0.00 H new ATOM 245 N ASP A 522 -1.355 6.794 -0.595 1.00 0.00 N ATOM 246 CA ASP A 522 -0.833 5.607 -1.257 1.00 0.00 C ATOM 247 C ASP A 522 0.632 5.366 -0.903 1.00 0.00 C ATOM 248 O ASP A 522 1.534 5.883 -1.563 1.00 0.00 O ATOM 249 CB ASP A 522 -0.987 5.740 -2.773 1.00 0.00 C ATOM 250 CG ASP A 522 -2.407 5.480 -3.236 1.00 0.00 C ATOM 251 OD1 ASP A 522 -3.337 6.096 -2.673 1.00 0.00 O ATOM 252 OD2 ASP A 522 -2.590 4.661 -4.161 1.00 0.00 O ATOM 0 H ASP A 522 -1.857 7.431 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 522 -1.409 4.751 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.686 6.742 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -0.313 5.040 -3.267 1.00 0.00 H new ATOM 257 N GLU A 523 0.858 4.574 0.138 1.00 0.00 N ATOM 258 CA GLU A 523 2.210 4.253 0.577 1.00 0.00 C ATOM 259 C GLU A 523 2.677 2.954 -0.059 1.00 0.00 C ATOM 260 O GLU A 523 3.010 1.987 0.625 1.00 0.00 O ATOM 261 CB GLU A 523 2.264 4.147 2.097 1.00 0.00 C ATOM 262 CG GLU A 523 1.378 3.053 2.673 1.00 0.00 C ATOM 263 CD GLU A 523 -0.015 3.547 3.011 1.00 0.00 C ATOM 264 OE1 GLU A 523 -0.782 3.849 2.073 1.00 0.00 O ATOM 265 OE2 GLU A 523 -0.340 3.630 4.215 1.00 0.00 O ATOM 0 H GLU A 523 0.121 4.142 0.695 1.00 0.00 H new ATOM 0 HA GLU A 523 2.877 5.055 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 523 3.294 3.964 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 523 1.969 5.104 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 523 1.305 2.235 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 523 1.844 2.649 3.572 1.00 0.00 H new ATOM 272 N GLY A 524 2.669 2.943 -1.379 1.00 0.00 N ATOM 273 CA GLY A 524 3.057 1.764 -2.123 1.00 0.00 C ATOM 274 C GLY A 524 1.859 1.116 -2.777 1.00 0.00 C ATOM 275 O GLY A 524 1.936 -0.014 -3.259 1.00 0.00 O ATOM 0 H GLY A 524 2.398 3.739 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 524 3.789 2.035 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 524 3.541 1.051 -1.455 1.00 0.00 H new ATOM 279 N ALA A 525 0.742 1.842 -2.777 1.00 0.00 N ATOM 280 CA ALA A 525 -0.504 1.360 -3.358 1.00 0.00 C ATOM 281 C ALA A 525 -0.405 1.209 -4.876 1.00 0.00 C ATOM 282 O ALA A 525 -1.180 1.808 -5.622 1.00 0.00 O ATOM 283 CB ALA A 525 -1.641 2.305 -2.995 1.00 0.00 C ATOM 0 H ALA A 525 0.678 2.777 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 525 -0.705 0.371 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -2.571 1.940 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.743 2.352 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -1.424 3.301 -3.382 1.00 0.00 H new ATOM 289 N ALA A 526 0.549 0.401 -5.328 1.00 0.00 N ATOM 290 CA ALA A 526 0.747 0.165 -6.751 1.00 0.00 C ATOM 291 C ALA A 526 0.994 1.465 -7.497 1.00 0.00 C ATOM 292 O ALA A 526 0.077 2.063 -8.059 1.00 0.00 O ATOM 293 CB ALA A 526 -0.442 -0.572 -7.342 1.00 0.00 C ATOM 0 H ALA A 526 1.199 -0.103 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 526 1.633 -0.459 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -0.274 -0.739 -8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -0.562 -1.531 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -1.344 0.024 -7.206 1.00 0.00 H new ATOM 299 N ILE A 527 2.243 1.894 -7.481 1.00 0.00 N ATOM 300 CA ILE A 527 2.644 3.118 -8.131 1.00 0.00 C ATOM 301 C ILE A 527 4.160 3.265 -8.094 1.00 0.00 C ATOM 302 O ILE A 527 4.800 3.483 -9.122 1.00 0.00 O ATOM 303 CB ILE A 527 1.976 4.313 -7.446 1.00 0.00 C ATOM 304 CG1 ILE A 527 2.472 5.638 -8.033 1.00 0.00 C ATOM 305 CG2 ILE A 527 2.217 4.250 -5.952 1.00 0.00 C ATOM 306 CD1 ILE A 527 1.506 6.786 -7.834 1.00 0.00 C ATOM 0 H ILE A 527 3.004 1.400 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 527 2.327 3.086 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 527 0.902 4.263 -7.628 1.00 0.00 H new ATOM 0 HG12 ILE A 527 3.427 5.894 -7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 527 2.655 5.508 -9.100 1.00 0.00 H new ATOM 0 HG21 ILE A 527 1.739 5.103 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 527 1.797 3.326 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.289 4.275 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 527 1.922 7.692 -8.274 1.00 0.00 H new ATOM 0 HD12 ILE A 527 0.557 6.551 -8.316 1.00 0.00 H new ATOM 0 HD13 ILE A 527 1.342 6.943 -6.768 1.00 0.00 H new ATOM 318 N GLY A 528 4.730 3.124 -6.899 1.00 0.00 N ATOM 319 CA GLY A 528 6.170 3.222 -6.735 1.00 0.00 C ATOM 320 C GLY A 528 6.749 4.584 -7.100 1.00 0.00 C ATOM 321 O GLY A 528 7.866 4.906 -6.694 1.00 0.00 O ATOM 0 H GLY A 528 4.216 2.943 -6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 528 6.422 2.998 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 528 6.647 2.460 -7.351 1.00 0.00 H new ATOM 325 N ALA A 529 6.003 5.388 -7.863 1.00 0.00 N ATOM 326 CA ALA A 529 6.464 6.714 -8.271 1.00 0.00 C ATOM 327 C ALA A 529 7.930 6.690 -8.701 1.00 0.00 C ATOM 328 O ALA A 529 8.663 7.658 -8.496 1.00 0.00 O ATOM 329 CB ALA A 529 6.259 7.711 -7.141 1.00 0.00 C ATOM 0 H ALA A 529 5.076 5.141 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 529 5.872 7.025 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 529 6.606 8.695 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 529 5.200 7.763 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 529 6.824 7.390 -6.266 1.00 0.00 H new ATOM 335 N ALA A 530 8.350 5.571 -9.291 1.00 0.00 N ATOM 336 CA ALA A 530 9.726 5.396 -9.745 1.00 0.00 C ATOM 337 C ALA A 530 9.982 3.929 -10.045 1.00 0.00 C ATOM 338 O ALA A 530 10.931 3.342 -9.527 1.00 0.00 O ATOM 339 CB ALA A 530 10.713 5.896 -8.693 1.00 0.00 C ATOM 0 H ALA A 530 7.749 4.766 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 530 9.870 5.982 -10.653 1.00 0.00 H new ATOM 0 HB1 ALA A 530 11.732 5.755 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.538 6.955 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 530 10.575 5.335 -7.769 1.00 0.00 H new ATOM 345 N TRP A 531 9.107 3.337 -10.861 1.00 0.00 N ATOM 346 CA TRP A 531 9.196 1.920 -11.223 1.00 0.00 C ATOM 347 C TRP A 531 9.853 1.128 -10.125 1.00 0.00 C ATOM 348 O TRP A 531 10.735 0.301 -10.358 1.00 0.00 O ATOM 349 CB TRP A 531 9.950 1.721 -12.529 1.00 0.00 C ATOM 350 CG TRP A 531 11.078 2.684 -12.738 1.00 0.00 C ATOM 351 CD1 TRP A 531 12.101 2.942 -11.876 1.00 0.00 C ATOM 352 CD2 TRP A 531 11.301 3.511 -13.885 1.00 0.00 C ATOM 353 NE1 TRP A 531 12.946 3.884 -12.412 1.00 0.00 N ATOM 354 CE2 TRP A 531 12.477 4.247 -13.647 1.00 0.00 C ATOM 355 CE3 TRP A 531 10.620 3.702 -15.092 1.00 0.00 C ATOM 356 CZ2 TRP A 531 12.986 5.159 -14.570 1.00 0.00 C ATOM 357 CZ3 TRP A 531 11.127 4.606 -16.006 1.00 0.00 C ATOM 358 CH2 TRP A 531 12.299 5.324 -15.741 1.00 0.00 C ATOM 0 H TRP A 531 8.319 3.824 -11.288 1.00 0.00 H new ATOM 0 HA TRP A 531 8.177 1.558 -11.361 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.344 0.705 -12.557 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.249 1.814 -13.358 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.229 2.474 -10.911 1.00 0.00 H new ATOM 0 HE1 TRP A 531 13.785 4.253 -11.964 1.00 0.00 H new ATOM 0 HE3 TRP A 531 9.715 3.153 -15.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 13.890 5.715 -14.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 10.610 4.761 -16.941 1.00 0.00 H new ATOM 0 HH2 TRP A 531 12.669 6.023 -16.477 1.00 0.00 H new ATOM 369 N ILE A 532 9.423 1.416 -8.921 1.00 0.00 N ATOM 370 CA ILE A 532 9.953 0.779 -7.762 1.00 0.00 C ATOM 371 C ILE A 532 8.837 0.408 -6.789 1.00 0.00 C ATOM 372 O ILE A 532 9.082 0.238 -5.602 1.00 0.00 O ATOM 373 CB ILE A 532 10.935 1.742 -7.098 1.00 0.00 C ATOM 374 CG1 ILE A 532 11.714 1.056 -5.974 1.00 0.00 C ATOM 375 CG2 ILE A 532 10.172 2.957 -6.599 1.00 0.00 C ATOM 376 CD1 ILE A 532 12.837 1.899 -5.413 1.00 0.00 C ATOM 0 H ILE A 532 8.693 2.102 -8.727 1.00 0.00 H new ATOM 0 HA ILE A 532 10.461 -0.142 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 532 11.675 2.067 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.025 0.801 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.126 0.119 -6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 532 10.864 3.651 -6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 532 9.684 3.450 -7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 532 9.419 2.642 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 532 13.344 1.348 -4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 532 13.548 2.132 -6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 532 12.429 2.825 -5.007 1.00 0.00 H new ATOM 388 N PRO A 533 7.584 0.260 -7.271 1.00 0.00 N ATOM 389 CA PRO A 533 6.477 -0.110 -6.398 1.00 0.00 C ATOM 390 C PRO A 533 6.675 -1.516 -5.854 1.00 0.00 C ATOM 391 O PRO A 533 6.058 -1.918 -4.868 1.00 0.00 O ATOM 392 CB PRO A 533 5.249 -0.050 -7.306 1.00 0.00 C ATOM 393 CG PRO A 533 5.783 -0.197 -8.687 1.00 0.00 C ATOM 394 CD PRO A 533 7.154 0.406 -8.674 1.00 0.00 C ATOM 0 HA PRO A 533 6.388 0.545 -5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 533 4.544 -0.846 -7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 533 4.716 0.893 -7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 533 5.823 -1.246 -8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 533 5.142 0.310 -9.408 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.827 -0.114 -9.356 1.00 0.00 H new ATOM 0 HD3 PRO A 533 7.135 1.452 -8.981 1.00 0.00 H new ATOM 402 N TYR A 534 7.560 -2.247 -6.520 1.00 0.00 N ATOM 403 CA TYR A 534 7.893 -3.605 -6.150 1.00 0.00 C ATOM 404 C TYR A 534 8.446 -3.649 -4.729 1.00 0.00 C ATOM 405 O TYR A 534 7.916 -4.351 -3.867 1.00 0.00 O ATOM 406 CB TYR A 534 8.916 -4.158 -7.147 1.00 0.00 C ATOM 407 CG TYR A 534 8.423 -4.167 -8.584 1.00 0.00 C ATOM 408 CD1 TYR A 534 8.515 -3.033 -9.401 1.00 0.00 C ATOM 409 CD2 TYR A 534 7.861 -5.316 -9.125 1.00 0.00 C ATOM 410 CE1 TYR A 534 8.059 -3.060 -10.705 1.00 0.00 C ATOM 411 CE2 TYR A 534 7.405 -5.344 -10.430 1.00 0.00 C ATOM 412 CZ TYR A 534 7.507 -4.215 -11.215 1.00 0.00 C ATOM 413 OH TYR A 534 7.053 -4.243 -12.513 1.00 0.00 O ATOM 0 H TYR A 534 8.067 -1.906 -7.337 1.00 0.00 H new ATOM 0 HA TYR A 534 6.995 -4.222 -6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 534 9.827 -3.562 -7.088 1.00 0.00 H new ATOM 0 HB3 TYR A 534 9.181 -5.175 -6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 534 8.948 -2.126 -9.007 1.00 0.00 H new ATOM 0 HD2 TYR A 534 7.779 -6.204 -8.515 1.00 0.00 H new ATOM 0 HE1 TYR A 534 8.135 -2.178 -11.323 1.00 0.00 H new ATOM 0 HE2 TYR A 534 6.971 -6.247 -10.833 1.00 0.00 H new ATOM 0 HH TYR A 534 6.694 -5.132 -12.715 1.00 0.00 H new ATOM 423 N PHE A 535 9.510 -2.889 -4.490 1.00 0.00 N ATOM 424 CA PHE A 535 10.130 -2.831 -3.170 1.00 0.00 C ATOM 425 C PHE A 535 10.358 -1.386 -2.718 1.00 0.00 C ATOM 426 O PHE A 535 11.036 -1.141 -1.721 1.00 0.00 O ATOM 427 CB PHE A 535 11.456 -3.590 -3.174 1.00 0.00 C ATOM 428 CG PHE A 535 12.320 -3.289 -4.366 1.00 0.00 C ATOM 429 CD1 PHE A 535 13.054 -2.116 -4.427 1.00 0.00 C ATOM 430 CD2 PHE A 535 12.394 -4.179 -5.426 1.00 0.00 C ATOM 431 CE1 PHE A 535 13.848 -1.836 -5.523 1.00 0.00 C ATOM 432 CE2 PHE A 535 13.187 -3.903 -6.524 1.00 0.00 C ATOM 433 CZ PHE A 535 13.915 -2.731 -6.572 1.00 0.00 C ATOM 0 H PHE A 535 9.961 -2.304 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 535 9.446 -3.301 -2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.007 -3.346 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 535 11.252 -4.660 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 535 13.005 -1.412 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.826 -5.097 -5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 535 14.416 -0.918 -5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 535 13.237 -4.604 -7.344 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.536 -2.515 -7.429 1.00 0.00 H new ATOM 443 N GLY A 536 9.789 -0.435 -3.456 1.00 0.00 N ATOM 444 CA GLY A 536 9.944 0.970 -3.113 1.00 0.00 C ATOM 445 C GLY A 536 9.410 1.283 -1.733 1.00 0.00 C ATOM 446 O GLY A 536 10.010 0.895 -0.738 1.00 0.00 O ATOM 0 H GLY A 536 9.223 -0.612 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 536 10.999 1.240 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.423 1.582 -3.850 1.00 0.00 H new ATOM 450 N PRO A 537 8.246 1.939 -1.635 1.00 0.00 N ATOM 451 CA PRO A 537 7.615 2.256 -0.354 1.00 0.00 C ATOM 452 C PRO A 537 6.828 1.062 0.153 1.00 0.00 C ATOM 453 O PRO A 537 5.838 1.197 0.870 1.00 0.00 O ATOM 454 CB PRO A 537 6.670 3.378 -0.743 1.00 0.00 C ATOM 455 CG PRO A 537 6.193 2.931 -2.074 1.00 0.00 C ATOM 456 CD PRO A 537 7.408 2.379 -2.763 1.00 0.00 C ATOM 0 HA PRO A 537 8.318 2.518 0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 537 5.851 3.487 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.179 4.341 -0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 537 5.416 2.173 -1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.763 3.760 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 537 7.156 1.552 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.908 3.134 -3.369 1.00 0.00 H new ATOM 464 N ALA A 538 7.292 -0.108 -0.247 1.00 0.00 N ATOM 465 CA ALA A 538 6.685 -1.357 0.117 1.00 0.00 C ATOM 466 C ALA A 538 7.740 -2.238 0.746 1.00 0.00 C ATOM 467 O ALA A 538 7.437 -3.157 1.505 1.00 0.00 O ATOM 468 CB ALA A 538 6.099 -2.027 -1.116 1.00 0.00 C ATOM 0 H ALA A 538 8.114 -0.209 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 538 5.877 -1.188 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 538 5.640 -2.974 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 538 5.345 -1.377 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.891 -2.211 -1.841 1.00 0.00 H new ATOM 474 N ALA A 539 8.997 -1.941 0.415 1.00 0.00 N ATOM 475 CA ALA A 539 10.110 -2.701 0.943 1.00 0.00 C ATOM 476 C ALA A 539 11.408 -1.894 1.010 1.00 0.00 C ATOM 477 O ALA A 539 12.479 -2.465 1.220 1.00 0.00 O ATOM 478 CB ALA A 539 10.314 -3.964 0.129 1.00 0.00 C ATOM 0 H ALA A 539 9.260 -1.182 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 539 9.854 -2.964 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.154 -4.527 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 539 9.412 -4.575 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.523 -3.699 -0.908 1.00 0.00 H new ATOM 484 N GLU A 540 11.326 -0.571 0.871 1.00 0.00 N ATOM 485 CA GLU A 540 12.521 0.269 0.966 1.00 0.00 C ATOM 486 C GLU A 540 12.921 0.373 2.428 1.00 0.00 C ATOM 487 O GLU A 540 12.917 1.451 3.021 1.00 0.00 O ATOM 488 CB GLU A 540 12.264 1.665 0.411 1.00 0.00 C ATOM 489 CG GLU A 540 11.133 2.401 1.109 1.00 0.00 C ATOM 490 CD GLU A 540 10.599 3.559 0.288 1.00 0.00 C ATOM 491 OE1 GLU A 540 10.769 3.538 -0.949 1.00 0.00 O ATOM 492 OE2 GLU A 540 10.011 4.487 0.883 1.00 0.00 O ATOM 0 H GLU A 540 10.459 -0.063 0.695 1.00 0.00 H new ATOM 0 HA GLU A 540 13.318 -0.184 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 540 13.177 2.254 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 540 12.034 1.587 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.322 1.702 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 540 11.486 2.774 2.071 1.00 0.00 H new ATOM 499 N GLY A 541 13.203 -0.775 3.014 1.00 0.00 N ATOM 500 CA GLY A 541 13.531 -0.832 4.421 1.00 0.00 C ATOM 501 C GLY A 541 12.289 -1.163 5.230 1.00 0.00 C ATOM 502 O GLY A 541 12.364 -1.447 6.426 1.00 0.00 O ATOM 0 H GLY A 541 13.211 -1.677 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 541 14.299 -1.586 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 541 13.943 0.123 4.746 1.00 0.00 H new ATOM 506 N ILE A 542 11.140 -1.123 4.549 1.00 0.00 N ATOM 507 CA ILE A 542 9.855 -1.415 5.155 1.00 0.00 C ATOM 508 C ILE A 542 9.766 -2.880 5.584 1.00 0.00 C ATOM 509 O ILE A 542 9.255 -3.189 6.658 1.00 0.00 O ATOM 510 CB ILE A 542 8.709 -1.072 4.168 1.00 0.00 C ATOM 511 CG1 ILE A 542 8.102 0.275 4.539 1.00 0.00 C ATOM 512 CG2 ILE A 542 7.634 -2.150 4.153 1.00 0.00 C ATOM 513 CD1 ILE A 542 7.207 0.839 3.465 1.00 0.00 C ATOM 0 H ILE A 542 11.084 -0.885 3.559 1.00 0.00 H new ATOM 0 HA ILE A 542 9.753 -0.797 6.047 1.00 0.00 H new ATOM 0 HB ILE A 542 9.131 -1.020 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 542 7.530 0.167 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.904 0.984 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.850 -1.872 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 542 8.075 -3.099 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 542 7.207 -2.252 5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 542 6.807 1.799 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 542 7.781 0.978 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 542 6.385 0.148 3.277 1.00 0.00 H new ATOM 525 N TYR A 543 10.263 -3.776 4.729 1.00 0.00 N ATOM 526 CA TYR A 543 10.238 -5.214 5.007 1.00 0.00 C ATOM 527 C TYR A 543 10.645 -5.518 6.447 1.00 0.00 C ATOM 528 O TYR A 543 10.209 -6.513 7.026 1.00 0.00 O ATOM 529 CB TYR A 543 11.154 -5.962 4.043 1.00 0.00 C ATOM 530 CG TYR A 543 12.587 -5.505 4.103 1.00 0.00 C ATOM 531 CD1 TYR A 543 12.976 -4.324 3.495 1.00 0.00 C ATOM 532 CD2 TYR A 543 13.547 -6.253 4.765 1.00 0.00 C ATOM 533 CE1 TYR A 543 14.288 -3.896 3.543 1.00 0.00 C ATOM 534 CE2 TYR A 543 14.863 -5.835 4.821 1.00 0.00 C ATOM 535 CZ TYR A 543 15.229 -4.655 4.207 1.00 0.00 C ATOM 536 OH TYR A 543 16.538 -4.234 4.258 1.00 0.00 O ATOM 0 H TYR A 543 10.689 -3.530 3.835 1.00 0.00 H new ATOM 0 HA TYR A 543 9.212 -5.553 4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.111 -7.028 4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.782 -5.834 3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 543 12.241 -3.727 2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 543 13.262 -7.178 5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 543 14.576 -2.972 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 543 15.600 -6.428 5.342 1.00 0.00 H new ATOM 0 HH TYR A 543 17.071 -4.882 4.764 1.00 0.00 H new ATOM 546 N ALA A 544 11.470 -4.648 7.026 1.00 0.00 N ATOM 547 CA ALA A 544 11.919 -4.817 8.405 1.00 0.00 C ATOM 548 C ALA A 544 10.735 -5.009 9.350 1.00 0.00 C ATOM 549 O ALA A 544 10.891 -5.499 10.470 1.00 0.00 O ATOM 550 CB ALA A 544 12.735 -3.616 8.836 1.00 0.00 C ATOM 0 H ALA A 544 11.841 -3.819 6.561 1.00 0.00 H new ATOM 0 HA ALA A 544 12.540 -5.711 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 544 13.065 -3.751 9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 544 13.604 -3.515 8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 544 12.123 -2.717 8.766 1.00 0.00 H new ATOM 556 N GLU A 545 9.552 -4.630 8.882 1.00 0.00 N ATOM 557 CA GLU A 545 8.329 -4.761 9.656 1.00 0.00 C ATOM 558 C GLU A 545 8.173 -6.195 10.123 1.00 0.00 C ATOM 559 O GLU A 545 7.881 -6.464 11.288 1.00 0.00 O ATOM 560 CB GLU A 545 7.129 -4.363 8.791 1.00 0.00 C ATOM 561 CG GLU A 545 7.184 -4.916 7.371 1.00 0.00 C ATOM 562 CD GLU A 545 6.514 -6.268 7.240 1.00 0.00 C ATOM 563 OE1 GLU A 545 5.288 -6.344 7.444 1.00 0.00 O ATOM 564 OE2 GLU A 545 7.217 -7.252 6.924 1.00 0.00 O ATOM 0 H GLU A 545 9.416 -4.224 7.956 1.00 0.00 H new ATOM 0 HA GLU A 545 8.378 -4.105 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 545 6.215 -4.712 9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.070 -3.276 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.704 -4.211 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 545 8.225 -5.000 7.059 1.00 0.00 H new ATOM 571 N GLY A 546 8.401 -7.111 9.196 1.00 0.00 N ATOM 572 CA GLY A 546 8.321 -8.521 9.494 1.00 0.00 C ATOM 573 C GLY A 546 7.036 -8.930 10.201 1.00 0.00 C ATOM 574 O GLY A 546 7.087 -9.565 11.255 1.00 0.00 O ATOM 0 H GLY A 546 8.643 -6.896 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 546 8.408 -9.084 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 546 9.171 -8.800 10.117 1.00 0.00 H new ATOM 578 N LEU A 547 5.884 -8.584 9.630 1.00 0.00 N ATOM 579 CA LEU A 547 4.606 -8.947 10.239 1.00 0.00 C ATOM 580 C LEU A 547 3.424 -8.658 9.310 1.00 0.00 C ATOM 581 O LEU A 547 2.521 -9.483 9.178 1.00 0.00 O ATOM 582 CB LEU A 547 4.421 -8.230 11.583 1.00 0.00 C ATOM 583 CG LEU A 547 3.930 -6.783 11.506 1.00 0.00 C ATOM 584 CD1 LEU A 547 3.402 -6.328 12.856 1.00 0.00 C ATOM 585 CD2 LEU A 547 5.049 -5.871 11.034 1.00 0.00 C ATOM 0 H LEU A 547 5.808 -8.060 8.758 1.00 0.00 H new ATOM 0 HA LEU A 547 4.628 -10.023 10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 547 3.714 -8.802 12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 547 5.373 -8.243 12.114 1.00 0.00 H new ATOM 0 HG LEU A 547 3.114 -6.730 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.057 -5.297 12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.572 -6.968 13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 547 4.197 -6.393 13.598 1.00 0.00 H new ATOM 0 HD21 LEU A 547 4.685 -4.845 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 547 5.883 -5.927 11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 547 5.383 -6.186 10.045 1.00 0.00 H new ATOM 597 N MET A 548 3.428 -7.489 8.675 1.00 0.00 N ATOM 598 CA MET A 548 2.343 -7.111 7.766 1.00 0.00 C ATOM 599 C MET A 548 2.542 -5.706 7.194 1.00 0.00 C ATOM 600 O MET A 548 2.031 -5.391 6.119 1.00 0.00 O ATOM 601 CB MET A 548 0.994 -7.190 8.488 1.00 0.00 C ATOM 602 CG MET A 548 0.153 -8.387 8.074 1.00 0.00 C ATOM 603 SD MET A 548 -0.893 -8.040 6.647 1.00 0.00 S ATOM 604 CE MET A 548 -0.025 -8.945 5.367 1.00 0.00 C ATOM 0 H MET A 548 4.164 -6.789 8.770 1.00 0.00 H new ATOM 0 HA MET A 548 2.354 -7.816 6.935 1.00 0.00 H new ATOM 0 HB2 MET A 548 1.168 -7.233 9.563 1.00 0.00 H new ATOM 0 HB3 MET A 548 0.432 -6.277 8.293 1.00 0.00 H new ATOM 0 HG2 MET A 548 0.810 -9.225 7.843 1.00 0.00 H new ATOM 0 HG3 MET A 548 -0.473 -8.694 8.912 1.00 0.00 H new ATOM 0 HE1 MET A 548 -0.597 -8.902 4.440 1.00 0.00 H new ATOM 0 HE2 MET A 548 0.957 -8.499 5.209 1.00 0.00 H new ATOM 0 HE3 MET A 548 0.093 -9.984 5.673 1.00 0.00 H new ATOM 614 N HIS A 549 3.278 -4.863 7.914 1.00 0.00 N ATOM 615 CA HIS A 549 3.533 -3.492 7.475 1.00 0.00 C ATOM 616 C HIS A 549 4.126 -3.444 6.062 1.00 0.00 C ATOM 617 O HIS A 549 4.146 -2.386 5.432 1.00 0.00 O ATOM 618 CB HIS A 549 4.466 -2.790 8.463 1.00 0.00 C ATOM 619 CG HIS A 549 3.794 -1.706 9.245 1.00 0.00 C ATOM 620 ND1 HIS A 549 2.424 -1.600 9.359 1.00 0.00 N ATOM 621 CD2 HIS A 549 4.310 -0.676 9.957 1.00 0.00 C ATOM 622 CE1 HIS A 549 2.127 -0.552 10.103 1.00 0.00 C ATOM 623 NE2 HIS A 549 3.252 0.026 10.480 1.00 0.00 N ATOM 0 H HIS A 549 3.709 -5.105 8.806 1.00 0.00 H new ATOM 0 HA HIS A 549 2.576 -2.971 7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 549 4.873 -3.528 9.154 1.00 0.00 H new ATOM 0 HB3 HIS A 549 5.309 -2.366 7.917 1.00 0.00 H new ATOM 0 HD2 HIS A 549 5.358 -0.449 10.089 1.00 0.00 H new ATOM 0 HE1 HIS A 549 1.131 -0.223 10.360 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.324 0.859 11.065 1.00 0.00 H new ATOM 632 N ASN A 550 4.602 -4.586 5.562 1.00 0.00 N ATOM 633 CA ASN A 550 5.184 -4.654 4.223 1.00 0.00 C ATOM 634 C ASN A 550 4.101 -4.615 3.135 1.00 0.00 C ATOM 635 O ASN A 550 4.382 -4.853 1.961 1.00 0.00 O ATOM 636 CB ASN A 550 6.023 -5.929 4.082 1.00 0.00 C ATOM 637 CG ASN A 550 6.650 -6.072 2.707 1.00 0.00 C ATOM 638 OD1 ASN A 550 7.824 -5.479 2.525 1.00 0.00 O flip ATOM 639 ND2 ASN A 550 6.084 -6.708 1.818 1.00 0.00 N flip ATOM 0 H ASN A 550 4.595 -5.474 6.064 1.00 0.00 H new ATOM 0 HA ASN A 550 5.823 -3.781 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 550 6.810 -5.926 4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 550 5.394 -6.796 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 550 5.182 -7.148 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 550 6.517 -6.795 0.898 1.00 0.00 H new ATOM 646 N GLN A 551 2.865 -4.314 3.531 1.00 0.00 N ATOM 647 CA GLN A 551 1.743 -4.241 2.598 1.00 0.00 C ATOM 648 C GLN A 551 2.054 -3.334 1.408 1.00 0.00 C ATOM 649 O GLN A 551 3.173 -2.843 1.262 1.00 0.00 O ATOM 650 CB GLN A 551 0.507 -3.719 3.327 1.00 0.00 C ATOM 651 CG GLN A 551 0.738 -2.380 4.005 1.00 0.00 C ATOM 652 CD GLN A 551 0.511 -1.207 3.071 1.00 0.00 C ATOM 653 OE1 GLN A 551 -0.628 -0.869 2.745 1.00 0.00 O ATOM 654 NE2 GLN A 551 1.596 -0.579 2.634 1.00 0.00 N ATOM 0 H GLN A 551 2.615 -4.115 4.500 1.00 0.00 H new ATOM 0 HA GLN A 551 1.559 -5.245 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -0.314 -3.623 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 551 0.197 -4.450 4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 551 0.071 -2.291 4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 551 1.758 -2.342 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 551 2.521 -0.893 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 551 1.505 0.217 2.003 1.00 0.00 H new ATOM 663 N ASP A 552 1.049 -3.114 0.562 1.00 0.00 N ATOM 664 CA ASP A 552 1.206 -2.265 -0.614 1.00 0.00 C ATOM 665 C ASP A 552 0.112 -1.201 -0.674 1.00 0.00 C ATOM 666 O ASP A 552 0.400 -0.015 -0.821 1.00 0.00 O ATOM 667 CB ASP A 552 1.182 -3.115 -1.888 1.00 0.00 C ATOM 668 CG ASP A 552 2.471 -3.007 -2.680 1.00 0.00 C ATOM 669 OD1 ASP A 552 3.505 -3.522 -2.206 1.00 0.00 O ATOM 670 OD2 ASP A 552 2.447 -2.406 -3.775 1.00 0.00 O ATOM 0 H ASP A 552 0.117 -3.513 0.671 1.00 0.00 H new ATOM 0 HA ASP A 552 2.169 -1.760 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.008 -4.158 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 552 0.347 -2.802 -2.514 1.00 0.00 H new ATOM 675 N GLY A 553 -1.142 -1.629 -0.561 1.00 0.00 N ATOM 676 CA GLY A 553 -2.246 -0.686 -0.610 1.00 0.00 C ATOM 677 C GLY A 553 -3.155 -0.907 -1.806 1.00 0.00 C ATOM 678 O GLY A 553 -3.541 0.047 -2.480 1.00 0.00 O ATOM 0 H GLY A 553 -1.413 -2.605 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -2.831 -0.770 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -1.850 0.329 -0.643 1.00 0.00 H new ATOM 682 N LEU A 554 -3.480 -2.171 -2.080 1.00 0.00 N ATOM 683 CA LEU A 554 -4.339 -2.527 -3.211 1.00 0.00 C ATOM 684 C LEU A 554 -5.476 -1.524 -3.416 1.00 0.00 C ATOM 685 O LEU A 554 -5.471 -0.764 -4.383 1.00 0.00 O ATOM 686 CB LEU A 554 -4.918 -3.939 -3.038 1.00 0.00 C ATOM 687 CG LEU A 554 -5.163 -4.387 -1.591 1.00 0.00 C ATOM 688 CD1 LEU A 554 -6.653 -4.531 -1.314 1.00 0.00 C ATOM 689 CD2 LEU A 554 -4.440 -5.696 -1.308 1.00 0.00 C ATOM 0 H LEU A 554 -3.160 -2.969 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 554 -3.708 -2.503 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -5.862 -3.993 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -4.239 -4.650 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 554 -4.765 -3.621 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.802 -4.849 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -7.147 -3.572 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -7.078 -5.274 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -4.625 -5.998 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -4.807 -6.468 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -3.369 -5.560 -1.460 1.00 0.00 H new ATOM 701 N ILE A 555 -6.447 -1.530 -2.508 1.00 0.00 N ATOM 702 CA ILE A 555 -7.587 -0.623 -2.601 1.00 0.00 C ATOM 703 C ILE A 555 -8.340 -0.824 -3.915 1.00 0.00 C ATOM 704 O ILE A 555 -7.821 -0.532 -4.992 1.00 0.00 O ATOM 705 CB ILE A 555 -7.147 0.853 -2.491 1.00 0.00 C ATOM 706 CG1 ILE A 555 -6.300 1.075 -1.234 1.00 0.00 C ATOM 707 CG2 ILE A 555 -8.359 1.775 -2.488 1.00 0.00 C ATOM 708 CD1 ILE A 555 -6.767 0.278 -0.042 1.00 0.00 C ATOM 0 H ILE A 555 -6.468 -2.152 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 555 -8.247 -0.857 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 555 -6.535 1.091 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -5.265 0.813 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.313 2.135 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -8.028 2.811 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.920 1.642 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.998 1.533 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.120 0.486 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.792 0.557 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.727 -0.786 -0.277 1.00 0.00 H new ATOM 720 N CYS A 556 -9.565 -1.329 -3.817 1.00 0.00 N ATOM 721 CA CYS A 556 -10.386 -1.574 -4.999 1.00 0.00 C ATOM 722 C CYS A 556 -10.601 -0.291 -5.794 1.00 0.00 C ATOM 723 O CYS A 556 -10.714 -0.322 -7.020 1.00 0.00 O ATOM 724 CB CYS A 556 -11.737 -2.167 -4.593 1.00 0.00 C ATOM 725 SG CYS A 556 -11.618 -3.552 -3.416 1.00 0.00 S ATOM 0 H CYS A 556 -10.011 -1.576 -2.934 1.00 0.00 H new ATOM 0 HA CYS A 556 -9.858 -2.286 -5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.349 -1.380 -4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.255 -2.509 -5.489 1.00 0.00 H new ATOM 730 N GLY A 557 -10.665 0.835 -5.093 1.00 0.00 N ATOM 731 CA GLY A 557 -10.876 2.106 -5.756 1.00 0.00 C ATOM 732 C GLY A 557 -12.311 2.558 -5.656 1.00 0.00 C ATOM 733 O GLY A 557 -12.602 3.753 -5.659 1.00 0.00 O ATOM 0 H GLY A 557 -10.575 0.890 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -10.226 2.860 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -10.594 2.020 -6.805 1.00 0.00 H new ATOM 737 N LEU A 558 -13.211 1.588 -5.578 1.00 0.00 N ATOM 738 CA LEU A 558 -14.628 1.868 -5.486 1.00 0.00 C ATOM 739 C LEU A 558 -15.413 0.581 -5.269 1.00 0.00 C ATOM 740 O LEU A 558 -16.362 0.541 -4.487 1.00 0.00 O ATOM 741 CB LEU A 558 -15.093 2.548 -6.772 1.00 0.00 C ATOM 742 CG LEU A 558 -14.924 1.712 -8.049 1.00 0.00 C ATOM 743 CD1 LEU A 558 -15.796 2.262 -9.165 1.00 0.00 C ATOM 744 CD2 LEU A 558 -13.464 1.677 -8.478 1.00 0.00 C ATOM 0 H LEU A 558 -12.978 0.595 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.805 2.528 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.145 2.811 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.542 3.481 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 558 -15.242 0.691 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -15.663 1.657 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -16.842 2.232 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -15.510 3.292 -9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -13.365 1.080 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -13.118 2.692 -8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.862 1.234 -7.684 1.00 0.00 H new ATOM 756 N ARG A 559 -14.998 -0.458 -5.988 1.00 0.00 N ATOM 757 CA ARG A 559 -15.621 -1.779 -5.940 1.00 0.00 C ATOM 758 C ARG A 559 -15.441 -2.457 -7.285 1.00 0.00 C ATOM 759 O ARG A 559 -15.591 -1.822 -8.329 1.00 0.00 O ATOM 760 CB ARG A 559 -17.117 -1.703 -5.620 1.00 0.00 C ATOM 761 CG ARG A 559 -17.876 -0.737 -6.512 1.00 0.00 C ATOM 762 CD ARG A 559 -18.984 -0.027 -5.751 1.00 0.00 C ATOM 763 NE ARG A 559 -20.030 0.468 -6.643 1.00 0.00 N ATOM 764 CZ ARG A 559 -21.187 0.972 -6.222 1.00 0.00 C ATOM 765 NH1 ARG A 559 -21.451 1.051 -4.923 1.00 0.00 N ATOM 766 NH2 ARG A 559 -22.082 1.401 -7.101 1.00 0.00 N ATOM 0 H ARG A 559 -14.207 -0.406 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.138 -2.346 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.553 -2.697 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.244 -1.402 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.185 -0.000 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.303 -1.279 -7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.421 -0.712 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.562 0.806 -5.190 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.863 0.425 -7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -20.765 0.724 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.340 1.438 -4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.883 1.345 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -22.969 1.787 -6.778 1.00 0.00 H new ATOM 780 N GLN A 560 -15.118 -3.736 -7.266 1.00 0.00 N ATOM 781 CA GLN A 560 -14.923 -4.466 -8.502 1.00 0.00 C ATOM 782 C GLN A 560 -15.209 -5.952 -8.316 1.00 0.00 C ATOM 783 O GLN A 560 -14.563 -6.574 -7.446 1.00 0.00 O ATOM 784 CB GLN A 560 -13.495 -4.261 -9.009 1.00 0.00 C ATOM 785 CG GLN A 560 -13.311 -4.657 -10.460 1.00 0.00 C ATOM 786 CD GLN A 560 -11.946 -5.259 -10.733 1.00 0.00 C ATOM 787 OE1 GLN A 560 -11.781 -6.479 -10.727 1.00 0.00 O ATOM 788 NE2 GLN A 560 -10.959 -4.404 -10.973 1.00 0.00 N ATOM 789 OXT GLN A 560 -16.077 -6.482 -9.040 1.00 0.00 O ATOM 0 H GLN A 560 -14.986 -4.286 -6.417 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.625 -4.080 -9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.221 -3.213 -8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -12.811 -4.843 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.083 -5.375 -10.737 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.450 -3.780 -11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -11.141 -3.400 -10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -10.019 -4.751 -11.162 1.00 0.00 H new TER 798 GLN A 560