USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=7 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 548 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 551 GLN : amide:sc= -2.58 K(o=-2.6,f=-7.7!) USER MOD Single : A 508 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.9!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -8.16! C(o=-8.2!,f=-13!) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 516 HIS : no HE2:sc= -0.48 X(o=-0.48,f=-0.98) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -63:sc= 0.155! USER MOD Single : A 520 THR OG1 : rot 69:sc= 1.15 USER MOD Single : A 521 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.32) USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 549 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-10!) USER MOD Single : A 550 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 560 GLN : amide:sc= -3.97 K(o=-4,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -18.839 5.659 -3.320 1.00 0.00 N ATOM 2 CA ALA A 507 -17.508 5.164 -3.758 1.00 0.00 C ATOM 3 C ALA A 507 -17.473 3.642 -3.794 1.00 0.00 C ATOM 4 O ALA A 507 -18.178 2.977 -3.034 1.00 0.00 O ATOM 5 CB ALA A 507 -16.419 5.685 -2.834 1.00 0.00 C ATOM 0 HA ALA A 507 -17.329 5.536 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -15.450 5.314 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -16.416 6.775 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -16.609 5.340 -1.817 1.00 0.00 H new ATOM 13 N GLN A 508 -16.643 3.097 -4.675 1.00 0.00 N ATOM 14 CA GLN A 508 -16.511 1.652 -4.801 1.00 0.00 C ATOM 15 C GLN A 508 -15.046 1.229 -4.728 1.00 0.00 C ATOM 16 O GLN A 508 -14.424 0.935 -5.748 1.00 0.00 O ATOM 17 CB GLN A 508 -17.131 1.173 -6.116 1.00 0.00 C ATOM 18 CG GLN A 508 -17.620 -0.265 -6.071 1.00 0.00 C ATOM 19 CD GLN A 508 -16.631 -1.236 -6.687 1.00 0.00 C ATOM 20 OE1 GLN A 508 -15.533 -0.850 -7.088 1.00 0.00 O ATOM 21 NE2 GLN A 508 -17.017 -2.504 -6.765 1.00 0.00 N ATOM 0 H GLN A 508 -16.053 3.633 -5.311 1.00 0.00 H new ATOM 0 HA GLN A 508 -17.043 1.191 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -17.967 1.824 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -16.394 1.272 -6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -17.806 -0.550 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -18.572 -0.338 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -17.937 -2.779 -6.420 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -16.394 -3.203 -7.170 1.00 0.00 H new ATOM 30 N PRO A 509 -14.474 1.192 -3.512 1.00 0.00 N ATOM 31 CA PRO A 509 -13.077 0.802 -3.310 1.00 0.00 C ATOM 32 C PRO A 509 -12.880 -0.711 -3.357 1.00 0.00 C ATOM 33 O PRO A 509 -11.766 -1.189 -3.566 1.00 0.00 O ATOM 34 CB PRO A 509 -12.772 1.338 -1.913 1.00 0.00 C ATOM 35 CG PRO A 509 -14.079 1.281 -1.198 1.00 0.00 C ATOM 36 CD PRO A 509 -15.142 1.529 -2.239 1.00 0.00 C ATOM 0 HA PRO A 509 -12.423 1.193 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.018 0.732 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -12.386 2.357 -1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.220 0.311 -0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -14.124 2.032 -0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -16.020 0.905 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.480 2.565 -2.227 1.00 0.00 H new ATOM 44 N LYS A 510 -13.974 -1.453 -3.153 1.00 0.00 N ATOM 45 CA LYS A 510 -13.962 -2.919 -3.160 1.00 0.00 C ATOM 46 C LYS A 510 -13.730 -3.473 -1.756 1.00 0.00 C ATOM 47 O LYS A 510 -14.203 -4.557 -1.415 1.00 0.00 O ATOM 48 CB LYS A 510 -12.933 -3.470 -4.170 1.00 0.00 C ATOM 49 CG LYS A 510 -11.571 -3.819 -3.576 1.00 0.00 C ATOM 50 CD LYS A 510 -11.340 -5.322 -3.552 1.00 0.00 C ATOM 51 CE LYS A 510 -12.447 -6.045 -2.802 1.00 0.00 C ATOM 52 NZ LYS A 510 -12.385 -7.519 -3.003 1.00 0.00 N ATOM 0 H LYS A 510 -14.895 -1.052 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 510 -14.945 -3.259 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -13.348 -4.362 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -12.790 -2.732 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.785 -3.339 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -11.503 -3.423 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -11.285 -5.699 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.380 -5.536 -3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -12.371 -5.820 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -13.415 -5.674 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -13.157 -7.974 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -12.483 -7.736 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -11.472 -7.878 -2.659 1.00 0.00 H new ATOM 66 N CYS A 511 -13.019 -2.707 -0.946 1.00 0.00 N ATOM 67 CA CYS A 511 -12.726 -3.089 0.434 1.00 0.00 C ATOM 68 C CYS A 511 -12.121 -4.490 0.517 1.00 0.00 C ATOM 69 O CYS A 511 -12.826 -5.492 0.403 1.00 0.00 O ATOM 70 CB CYS A 511 -13.999 -3.016 1.278 1.00 0.00 C ATOM 71 SG CYS A 511 -13.876 -1.895 2.709 1.00 0.00 S ATOM 0 H CYS A 511 -12.628 -1.806 -1.220 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.990 -2.387 0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.824 -2.691 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.245 -4.017 1.633 1.00 0.00 H new ATOM 76 N ASN A 512 -10.811 -4.546 0.732 1.00 0.00 N ATOM 77 CA ASN A 512 -10.105 -5.818 0.848 1.00 0.00 C ATOM 78 C ASN A 512 -9.051 -5.743 1.951 1.00 0.00 C ATOM 79 O ASN A 512 -7.854 -5.671 1.674 1.00 0.00 O ATOM 80 CB ASN A 512 -9.445 -6.180 -0.484 1.00 0.00 C ATOM 81 CG ASN A 512 -8.440 -5.136 -0.932 1.00 0.00 C ATOM 82 OD1 ASN A 512 -7.241 -5.267 -0.688 1.00 0.00 O ATOM 83 ND2 ASN A 512 -8.927 -4.091 -1.590 1.00 0.00 N ATOM 0 H ASN A 512 -10.215 -3.724 0.830 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.827 -6.593 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -8.946 -7.144 -0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -10.213 -6.293 -1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -8.300 -3.356 -1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -9.929 -4.023 -1.770 1.00 0.00 H new ATOM 90 N PRO A 513 -9.487 -5.756 3.224 1.00 0.00 N ATOM 91 CA PRO A 513 -8.581 -5.681 4.379 1.00 0.00 C ATOM 92 C PRO A 513 -7.600 -6.850 4.433 1.00 0.00 C ATOM 93 O PRO A 513 -6.612 -6.808 5.166 1.00 0.00 O ATOM 94 CB PRO A 513 -9.524 -5.716 5.590 1.00 0.00 C ATOM 95 CG PRO A 513 -10.864 -5.342 5.053 1.00 0.00 C ATOM 96 CD PRO A 513 -10.896 -5.836 3.636 1.00 0.00 C ATOM 0 HA PRO A 513 -7.956 -4.789 4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -9.544 -6.706 6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.200 -5.018 6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -11.661 -5.796 5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.013 -4.263 5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.277 -6.855 3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.536 -5.217 3.007 1.00 0.00 H new ATOM 104 N ASN A 514 -7.879 -7.892 3.656 1.00 0.00 N ATOM 105 CA ASN A 514 -7.023 -9.072 3.620 1.00 0.00 C ATOM 106 C ASN A 514 -5.680 -8.769 2.956 1.00 0.00 C ATOM 107 O ASN A 514 -4.632 -9.194 3.439 1.00 0.00 O ATOM 108 CB ASN A 514 -7.736 -10.208 2.880 1.00 0.00 C ATOM 109 CG ASN A 514 -6.867 -11.442 2.721 1.00 0.00 C ATOM 110 OD1 ASN A 514 -6.103 -11.558 1.763 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.980 -12.369 3.663 1.00 0.00 N ATOM 0 H ASN A 514 -8.692 -7.943 3.042 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.823 -9.378 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.643 -10.475 3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.044 -9.857 1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -6.420 -13.220 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -7.627 -12.231 4.440 1.00 0.00 H new ATOM 118 N LEU A 515 -5.717 -8.036 1.846 1.00 0.00 N ATOM 119 CA LEU A 515 -4.497 -7.687 1.123 1.00 0.00 C ATOM 120 C LEU A 515 -3.618 -6.751 1.949 1.00 0.00 C ATOM 121 O LEU A 515 -3.562 -5.548 1.694 1.00 0.00 O ATOM 122 CB LEU A 515 -4.840 -7.035 -0.219 1.00 0.00 C ATOM 123 CG LEU A 515 -5.818 -7.822 -1.093 1.00 0.00 C ATOM 124 CD1 LEU A 515 -6.094 -7.075 -2.391 1.00 0.00 C ATOM 125 CD2 LEU A 515 -5.277 -9.216 -1.384 1.00 0.00 C ATOM 0 H LEU A 515 -6.574 -7.674 1.429 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.941 -8.606 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -5.261 -6.048 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.917 -6.885 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 515 -6.756 -7.926 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.792 -7.650 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.527 -6.101 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -5.161 -6.939 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.988 -9.759 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.324 -9.135 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -5.132 -9.753 -0.447 1.00 0.00 H new ATOM 137 N HIS A 516 -2.934 -7.315 2.939 1.00 0.00 N ATOM 138 CA HIS A 516 -2.056 -6.540 3.812 1.00 0.00 C ATOM 139 C HIS A 516 -0.664 -6.361 3.201 1.00 0.00 C ATOM 140 O HIS A 516 0.169 -5.636 3.745 1.00 0.00 O ATOM 141 CB HIS A 516 -1.942 -7.219 5.179 1.00 0.00 C ATOM 142 CG HIS A 516 -2.476 -6.391 6.306 1.00 0.00 C ATOM 143 ND1 HIS A 516 -1.666 -5.727 7.203 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.750 -6.119 6.679 1.00 0.00 C ATOM 145 CE1 HIS A 516 -2.417 -5.084 8.079 1.00 0.00 C ATOM 146 NE2 HIS A 516 -3.685 -5.305 7.782 1.00 0.00 N ATOM 0 H HIS A 516 -2.970 -8.310 3.158 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.498 -5.551 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.478 -8.167 5.150 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.895 -7.451 5.374 1.00 0.00 H new ATOM 0 HD1 HIS A 516 -0.646 -5.732 7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -4.649 -6.476 6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -2.056 -4.480 8.899 1.00 0.00 H new ATOM 155 N TYR A 517 -0.410 -7.034 2.082 1.00 0.00 N ATOM 156 CA TYR A 517 0.890 -6.952 1.422 1.00 0.00 C ATOM 157 C TYR A 517 1.037 -5.672 0.601 1.00 0.00 C ATOM 158 O TYR A 517 1.925 -4.859 0.859 1.00 0.00 O ATOM 159 CB TYR A 517 1.100 -8.170 0.521 1.00 0.00 C ATOM 160 CG TYR A 517 0.955 -9.491 1.243 1.00 0.00 C ATOM 161 CD1 TYR A 517 1.569 -9.705 2.471 1.00 0.00 C ATOM 162 CD2 TYR A 517 0.202 -10.524 0.697 1.00 0.00 C ATOM 163 CE1 TYR A 517 1.438 -10.912 3.133 1.00 0.00 C ATOM 164 CE2 TYR A 517 0.067 -11.732 1.353 1.00 0.00 C ATOM 165 CZ TYR A 517 0.687 -11.922 2.571 1.00 0.00 C ATOM 166 OH TYR A 517 0.555 -13.123 3.227 1.00 0.00 O ATOM 0 H TYR A 517 -1.084 -7.640 1.615 1.00 0.00 H new ATOM 0 HA TYR A 517 1.650 -6.935 2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.382 -8.133 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.094 -8.116 0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 517 2.158 -8.916 2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -0.286 -10.380 -0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 517 1.922 -11.063 4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -0.521 -12.524 0.914 1.00 0.00 H new ATOM 0 HH TYR A 517 -0.007 -13.726 2.696 1.00 0.00 H new ATOM 176 N TRP A 518 0.182 -5.509 -0.405 1.00 0.00 N ATOM 177 CA TRP A 518 0.242 -4.338 -1.279 1.00 0.00 C ATOM 178 C TRP A 518 -0.560 -3.156 -0.733 1.00 0.00 C ATOM 179 O TRP A 518 -0.549 -2.078 -1.323 1.00 0.00 O ATOM 180 CB TRP A 518 -0.262 -4.703 -2.675 1.00 0.00 C ATOM 181 CG TRP A 518 0.780 -5.357 -3.529 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.835 -4.749 -4.146 1.00 0.00 C ATOM 183 CD2 TRP A 518 0.866 -6.747 -3.861 1.00 0.00 C ATOM 184 NE1 TRP A 518 2.573 -5.677 -4.841 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.998 -6.911 -4.682 1.00 0.00 C ATOM 186 CE3 TRP A 518 0.096 -7.870 -3.542 1.00 0.00 C ATOM 187 CZ2 TRP A 518 2.378 -8.151 -5.187 1.00 0.00 C ATOM 188 CZ3 TRP A 518 0.475 -9.101 -4.045 1.00 0.00 C ATOM 189 CH2 TRP A 518 1.607 -9.232 -4.860 1.00 0.00 C ATOM 0 H TRP A 518 -0.559 -6.170 -0.636 1.00 0.00 H new ATOM 0 HA TRP A 518 1.286 -4.027 -1.327 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.117 -5.372 -2.581 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -0.616 -3.801 -3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 518 2.057 -3.693 -4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 518 3.412 -5.480 -5.386 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -0.778 -7.778 -2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 3.251 -8.256 -5.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -0.111 -9.976 -3.806 1.00 0.00 H new ATOM 0 HH2 TRP A 518 1.876 -10.207 -5.238 1.00 0.00 H new ATOM 200 N THR A 519 -1.253 -3.356 0.382 1.00 0.00 N ATOM 201 CA THR A 519 -2.055 -2.292 0.983 1.00 0.00 C ATOM 202 C THR A 519 -3.129 -1.804 0.004 1.00 0.00 C ATOM 203 O THR A 519 -4.300 -2.157 0.138 1.00 0.00 O ATOM 204 CB THR A 519 -1.155 -1.133 1.444 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.855 -0.259 0.369 1.00 0.00 O ATOM 206 CG2 THR A 519 0.160 -1.604 2.028 1.00 0.00 C ATOM 0 H THR A 519 -1.277 -4.241 0.888 1.00 0.00 H new ATOM 0 HA THR A 519 -2.562 -2.694 1.860 1.00 0.00 H new ATOM 0 HB THR A 519 -1.724 -0.618 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.346 -0.743 -0.314 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.751 -0.741 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.033 -2.239 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.709 -2.172 1.277 1.00 0.00 H new ATOM 214 N THR A 520 -2.732 -1.006 -0.986 1.00 0.00 N ATOM 215 CA THR A 520 -3.663 -0.492 -1.984 1.00 0.00 C ATOM 216 C THR A 520 -2.947 0.517 -2.868 1.00 0.00 C ATOM 217 O THR A 520 -2.782 0.303 -4.069 1.00 0.00 O ATOM 218 CB THR A 520 -4.882 0.153 -1.310 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.914 -0.799 -1.119 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.467 1.304 -2.097 1.00 0.00 C ATOM 0 H THR A 520 -1.767 -0.702 -1.117 1.00 0.00 H new ATOM 0 HA THR A 520 -4.020 -1.320 -2.597 1.00 0.00 H new ATOM 0 HB THR A 520 -4.512 0.535 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.641 -1.445 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.325 1.712 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.713 2.081 -2.220 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.786 0.950 -3.077 1.00 0.00 H new ATOM 228 N GLN A 521 -2.493 1.601 -2.253 1.00 0.00 N ATOM 229 CA GLN A 521 -1.757 2.624 -2.975 1.00 0.00 C ATOM 230 C GLN A 521 -0.365 2.113 -3.295 1.00 0.00 C ATOM 231 O GLN A 521 0.352 2.694 -4.110 1.00 0.00 O ATOM 232 CB GLN A 521 -1.681 3.914 -2.159 1.00 0.00 C ATOM 233 CG GLN A 521 -3.022 4.612 -2.001 1.00 0.00 C ATOM 234 CD GLN A 521 -2.954 6.090 -2.330 1.00 0.00 C ATOM 235 OE1 GLN A 521 -3.575 6.554 -3.287 1.00 0.00 O ATOM 236 NE2 GLN A 521 -2.196 6.838 -1.539 1.00 0.00 N ATOM 0 H GLN A 521 -2.622 1.792 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.279 2.848 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.280 3.687 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.979 4.597 -2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -3.755 4.133 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -3.373 4.488 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -1.699 6.412 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -2.110 7.839 -1.713 1.00 0.00 H new ATOM 245 N ASP A 522 0.006 1.005 -2.660 1.00 0.00 N ATOM 246 CA ASP A 522 1.298 0.405 -2.892 1.00 0.00 C ATOM 247 C ASP A 522 1.209 -0.679 -3.966 1.00 0.00 C ATOM 248 O ASP A 522 2.225 -1.173 -4.453 1.00 0.00 O ATOM 249 CB ASP A 522 1.885 -0.169 -1.601 1.00 0.00 C ATOM 250 CG ASP A 522 1.816 0.810 -0.444 1.00 0.00 C ATOM 251 OD1 ASP A 522 1.345 1.948 -0.654 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.233 0.438 0.673 1.00 0.00 O ATOM 0 H ASP A 522 -0.576 0.511 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 522 1.967 1.190 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.347 -1.079 -1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.924 -0.451 -1.772 1.00 0.00 H new ATOM 257 N GLU A 523 -0.021 -1.046 -4.327 1.00 0.00 N ATOM 258 CA GLU A 523 -0.259 -2.070 -5.338 1.00 0.00 C ATOM 259 C GLU A 523 0.631 -1.865 -6.564 1.00 0.00 C ATOM 260 O GLU A 523 0.967 -2.821 -7.263 1.00 0.00 O ATOM 261 CB GLU A 523 -1.734 -2.055 -5.752 1.00 0.00 C ATOM 262 CG GLU A 523 -2.106 -0.895 -6.664 1.00 0.00 C ATOM 263 CD GLU A 523 -3.553 -0.951 -7.117 1.00 0.00 C ATOM 264 OE1 GLU A 523 -3.989 -2.026 -7.580 1.00 0.00 O ATOM 265 OE2 GLU A 523 -4.249 0.080 -7.009 1.00 0.00 O ATOM 0 H GLU A 523 -0.871 -0.645 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.010 -3.038 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -1.969 -2.992 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.353 -2.013 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -1.929 0.045 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.455 -0.901 -7.538 1.00 0.00 H new ATOM 272 N GLY A 524 1.006 -0.616 -6.819 1.00 0.00 N ATOM 273 CA GLY A 524 1.849 -0.320 -7.961 1.00 0.00 C ATOM 274 C GLY A 524 1.552 1.038 -8.559 1.00 0.00 C ATOM 275 O GLY A 524 1.494 1.186 -9.779 1.00 0.00 O ATOM 0 H GLY A 524 0.742 0.193 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.895 -0.360 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.709 -1.088 -8.722 1.00 0.00 H new ATOM 279 N ALA A 525 1.351 2.033 -7.700 1.00 0.00 N ATOM 280 CA ALA A 525 1.045 3.382 -8.161 1.00 0.00 C ATOM 281 C ALA A 525 2.266 4.294 -8.104 1.00 0.00 C ATOM 282 O ALA A 525 2.686 4.846 -9.121 1.00 0.00 O ATOM 283 CB ALA A 525 -0.096 3.971 -7.347 1.00 0.00 C ATOM 0 H ALA A 525 1.394 1.931 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 525 0.740 3.311 -9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -0.314 4.978 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.983 3.347 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.190 4.010 -6.296 1.00 0.00 H new ATOM 289 N ALA A 526 2.835 4.448 -6.915 1.00 0.00 N ATOM 290 CA ALA A 526 4.011 5.292 -6.733 1.00 0.00 C ATOM 291 C ALA A 526 5.062 4.556 -5.932 1.00 0.00 C ATOM 292 O ALA A 526 5.779 5.140 -5.119 1.00 0.00 O ATOM 293 CB ALA A 526 3.633 6.601 -6.056 1.00 0.00 C ATOM 0 H ALA A 526 2.502 4.000 -6.062 1.00 0.00 H new ATOM 0 HA ALA A 526 4.426 5.528 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.524 7.216 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.909 7.134 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.195 6.393 -5.080 1.00 0.00 H new ATOM 299 N ILE A 527 5.124 3.258 -6.161 1.00 0.00 N ATOM 300 CA ILE A 527 6.055 2.394 -5.468 1.00 0.00 C ATOM 301 C ILE A 527 7.339 2.157 -6.262 1.00 0.00 C ATOM 302 O ILE A 527 8.231 1.440 -5.810 1.00 0.00 O ATOM 303 CB ILE A 527 5.377 1.056 -5.138 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.817 0.394 -6.404 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.256 1.307 -4.146 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.877 -0.078 -7.374 1.00 0.00 C ATOM 0 H ILE A 527 4.529 2.774 -6.834 1.00 0.00 H new ATOM 0 HA ILE A 527 6.343 2.899 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 527 6.116 0.381 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.200 -0.457 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.163 1.103 -6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.767 0.364 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.666 1.747 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.529 1.991 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.399 -0.534 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.480 0.771 -7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.517 -0.812 -6.885 1.00 0.00 H new ATOM 318 N GLY A 528 7.422 2.749 -7.448 1.00 0.00 N ATOM 319 CA GLY A 528 8.593 2.576 -8.291 1.00 0.00 C ATOM 320 C GLY A 528 9.897 3.031 -7.651 1.00 0.00 C ATOM 321 O GLY A 528 10.968 2.809 -8.216 1.00 0.00 O ATOM 0 H GLY A 528 6.697 3.348 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.681 1.523 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.444 3.130 -9.218 1.00 0.00 H new ATOM 325 N LEU A 529 9.826 3.670 -6.485 1.00 0.00 N ATOM 326 CA LEU A 529 11.034 4.144 -5.816 1.00 0.00 C ATOM 327 C LEU A 529 11.493 3.165 -4.737 1.00 0.00 C ATOM 328 O LEU A 529 12.691 2.985 -4.518 1.00 0.00 O ATOM 329 CB LEU A 529 10.792 5.523 -5.198 1.00 0.00 C ATOM 330 CG LEU A 529 9.604 5.603 -4.234 1.00 0.00 C ATOM 331 CD1 LEU A 529 10.083 5.831 -2.809 1.00 0.00 C ATOM 332 CD2 LEU A 529 8.645 6.707 -4.658 1.00 0.00 C ATOM 0 H LEU A 529 8.957 3.869 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 529 11.822 4.218 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.693 5.829 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 529 10.637 6.242 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 529 9.072 4.652 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 529 9.224 5.885 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 529 10.728 5.006 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 529 10.641 6.766 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 529 7.808 6.749 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 529 9.167 7.664 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 529 8.273 6.500 -5.661 1.00 0.00 H new ATOM 344 N ALA A 530 10.534 2.546 -4.060 1.00 0.00 N ATOM 345 CA ALA A 530 10.835 1.596 -2.994 1.00 0.00 C ATOM 346 C ALA A 530 10.641 0.149 -3.432 1.00 0.00 C ATOM 347 O ALA A 530 10.798 -0.771 -2.628 1.00 0.00 O ATOM 348 CB ALA A 530 9.960 1.874 -1.794 1.00 0.00 C ATOM 0 H ALA A 530 9.538 2.685 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 530 11.886 1.728 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.191 1.161 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.145 2.886 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.912 1.775 -2.077 1.00 0.00 H new ATOM 354 N TRP A 531 10.278 -0.056 -4.689 1.00 0.00 N ATOM 355 CA TRP A 531 10.040 -1.401 -5.205 1.00 0.00 C ATOM 356 C TRP A 531 11.318 -2.239 -5.274 1.00 0.00 C ATOM 357 O TRP A 531 11.438 -3.125 -6.120 1.00 0.00 O ATOM 358 CB TRP A 531 9.392 -1.315 -6.582 1.00 0.00 C ATOM 359 CG TRP A 531 8.703 -2.579 -6.996 1.00 0.00 C ATOM 360 CD1 TRP A 531 7.497 -3.039 -6.547 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.176 -3.544 -7.941 1.00 0.00 C ATOM 362 NE1 TRP A 531 7.194 -4.233 -7.155 1.00 0.00 N ATOM 363 CE2 TRP A 531 8.208 -4.564 -8.015 1.00 0.00 C ATOM 364 CE3 TRP A 531 10.323 -3.646 -8.731 1.00 0.00 C ATOM 365 CZ2 TRP A 531 8.354 -5.670 -8.849 1.00 0.00 C ATOM 366 CZ3 TRP A 531 10.468 -4.744 -9.558 1.00 0.00 C ATOM 367 CH2 TRP A 531 9.487 -5.743 -9.611 1.00 0.00 C ATOM 0 H TRP A 531 10.141 0.689 -5.372 1.00 0.00 H new ATOM 0 HA TRP A 531 9.369 -1.904 -4.509 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.670 -0.499 -6.585 1.00 0.00 H new ATOM 0 HB3 TRP A 531 10.155 -1.068 -7.320 1.00 0.00 H new ATOM 0 HD1 TRP A 531 6.874 -2.538 -5.821 1.00 0.00 H new ATOM 0 HE1 TRP A 531 6.351 -4.784 -6.993 1.00 0.00 H new ATOM 0 HE3 TRP A 531 11.084 -2.880 -8.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 7.600 -6.442 -8.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 11.351 -4.833 -10.173 1.00 0.00 H new ATOM 0 HH2 TRP A 531 9.629 -6.589 -10.268 1.00 0.00 H new ATOM 378 N ILE A 532 12.259 -1.974 -4.371 1.00 0.00 N ATOM 379 CA ILE A 532 13.508 -2.718 -4.323 1.00 0.00 C ATOM 380 C ILE A 532 14.155 -2.584 -2.946 1.00 0.00 C ATOM 381 O ILE A 532 15.155 -1.885 -2.784 1.00 0.00 O ATOM 382 CB ILE A 532 14.505 -2.237 -5.399 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.788 -0.740 -5.236 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.969 -2.533 -6.792 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.255 -0.424 -5.033 1.00 0.00 C ATOM 0 H ILE A 532 12.176 -1.246 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 532 13.266 -3.762 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 532 15.442 -2.779 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.429 -0.212 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.221 -0.361 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.684 -2.187 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.819 -3.607 -6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 532 13.019 -2.017 -6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.384 0.653 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.614 -0.925 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.825 -0.773 -5.894 1.00 0.00 H new ATOM 397 N PRO A 533 13.581 -3.252 -1.929 1.00 0.00 N ATOM 398 CA PRO A 533 14.090 -3.210 -0.553 1.00 0.00 C ATOM 399 C PRO A 533 15.588 -3.486 -0.471 1.00 0.00 C ATOM 400 O PRO A 533 16.010 -4.624 -0.265 1.00 0.00 O ATOM 401 CB PRO A 533 13.298 -4.312 0.169 1.00 0.00 C ATOM 402 CG PRO A 533 12.573 -5.063 -0.900 1.00 0.00 C ATOM 403 CD PRO A 533 12.388 -4.099 -2.034 1.00 0.00 C ATOM 0 HA PRO A 533 13.962 -2.222 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 533 13.964 -4.971 0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.599 -3.884 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 533 13.144 -5.935 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.612 -5.427 -0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.336 -4.609 -2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.470 -3.521 -1.930 1.00 0.00 H new ATOM 411 N TYR A 534 16.386 -2.434 -0.632 1.00 0.00 N ATOM 412 CA TYR A 534 17.837 -2.557 -0.576 1.00 0.00 C ATOM 413 C TYR A 534 18.367 -2.205 0.813 1.00 0.00 C ATOM 414 O TYR A 534 19.401 -2.720 1.242 1.00 0.00 O ATOM 415 CB TYR A 534 18.483 -1.648 -1.623 1.00 0.00 C ATOM 416 CG TYR A 534 19.912 -2.019 -1.950 1.00 0.00 C ATOM 417 CD1 TYR A 534 20.206 -3.188 -2.641 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.967 -1.200 -1.567 1.00 0.00 C ATOM 419 CE1 TYR A 534 21.511 -3.530 -2.941 1.00 0.00 C ATOM 420 CE2 TYR A 534 22.274 -1.535 -1.864 1.00 0.00 C ATOM 421 CZ TYR A 534 22.541 -2.701 -2.550 1.00 0.00 C ATOM 422 OH TYR A 534 23.842 -3.038 -2.849 1.00 0.00 O ATOM 0 H TYR A 534 16.050 -1.486 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 534 18.095 -3.594 -0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.890 -1.682 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.457 -0.619 -1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 534 19.402 -3.840 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 534 20.762 -0.287 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 534 21.723 -4.442 -3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 534 23.083 -0.887 -1.560 1.00 0.00 H new ATOM 0 HH TYR A 534 24.446 -2.348 -2.504 1.00 0.00 H new ATOM 432 N PHE A 535 17.660 -1.317 1.507 1.00 0.00 N ATOM 433 CA PHE A 535 18.068 -0.887 2.841 1.00 0.00 C ATOM 434 C PHE A 535 17.870 -1.995 3.872 1.00 0.00 C ATOM 435 O PHE A 535 18.653 -2.126 4.813 1.00 0.00 O ATOM 436 CB PHE A 535 17.280 0.355 3.259 1.00 0.00 C ATOM 437 CG PHE A 535 18.033 1.257 4.196 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.968 2.156 3.710 1.00 0.00 C ATOM 439 CD2 PHE A 535 17.806 1.204 5.561 1.00 0.00 C ATOM 440 CE1 PHE A 535 19.663 2.986 4.568 1.00 0.00 C ATOM 441 CE2 PHE A 535 18.498 2.031 6.426 1.00 0.00 C ATOM 442 CZ PHE A 535 19.427 2.924 5.929 1.00 0.00 C ATOM 0 H PHE A 535 16.802 -0.881 1.168 1.00 0.00 H new ATOM 0 HA PHE A 535 19.131 -0.648 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 535 17.006 0.919 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 535 16.351 0.042 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 535 19.156 2.209 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 535 17.080 0.508 5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 535 20.390 3.682 4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 535 18.312 1.979 7.489 1.00 0.00 H new ATOM 0 HZ PHE A 535 19.968 3.573 6.602 1.00 0.00 H new ATOM 452 N GLY A 536 16.819 -2.790 3.694 1.00 0.00 N ATOM 453 CA GLY A 536 16.545 -3.871 4.624 1.00 0.00 C ATOM 454 C GLY A 536 15.071 -4.222 4.691 1.00 0.00 C ATOM 455 O GLY A 536 14.673 -5.314 4.287 1.00 0.00 O ATOM 0 H GLY A 536 16.154 -2.706 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 536 17.112 -4.753 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 536 16.893 -3.588 5.617 1.00 0.00 H new ATOM 459 N PRO A 537 14.225 -3.305 5.194 1.00 0.00 N ATOM 460 CA PRO A 537 12.782 -3.536 5.300 1.00 0.00 C ATOM 461 C PRO A 537 12.164 -3.845 3.947 1.00 0.00 C ATOM 462 O PRO A 537 12.867 -4.188 2.997 1.00 0.00 O ATOM 463 CB PRO A 537 12.235 -2.211 5.853 1.00 0.00 C ATOM 464 CG PRO A 537 13.313 -1.212 5.612 1.00 0.00 C ATOM 465 CD PRO A 537 14.601 -1.975 5.691 1.00 0.00 C ATOM 0 HA PRO A 537 12.549 -4.393 5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.313 -1.924 5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 537 12.004 -2.293 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 537 13.197 -0.740 4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.283 -0.417 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 537 15.379 -1.520 5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 537 14.983 -2.018 6.711 1.00 0.00 H new ATOM 473 N ALA A 538 10.848 -3.720 3.862 1.00 0.00 N ATOM 474 CA ALA A 538 10.145 -3.982 2.616 1.00 0.00 C ATOM 475 C ALA A 538 10.324 -2.825 1.646 1.00 0.00 C ATOM 476 O ALA A 538 10.613 -3.032 0.467 1.00 0.00 O ATOM 477 CB ALA A 538 8.667 -4.229 2.872 1.00 0.00 C ATOM 0 H ALA A 538 10.248 -3.440 4.638 1.00 0.00 H new ATOM 0 HA ALA A 538 10.573 -4.880 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 538 8.161 -4.423 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 538 8.551 -5.091 3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 538 8.228 -3.351 3.345 1.00 0.00 H new ATOM 483 N ALA A 539 10.150 -1.605 2.149 1.00 0.00 N ATOM 484 CA ALA A 539 10.292 -0.399 1.326 1.00 0.00 C ATOM 485 C ALA A 539 9.151 -0.267 0.332 1.00 0.00 C ATOM 486 O ALA A 539 8.510 0.778 0.231 1.00 0.00 O ATOM 487 CB ALA A 539 11.605 -0.429 0.573 1.00 0.00 C ATOM 0 H ALA A 539 9.910 -1.422 3.123 1.00 0.00 H new ATOM 0 HA ALA A 539 10.270 0.459 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.697 0.472 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.431 -0.474 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.634 -1.306 -0.073 1.00 0.00 H new ATOM 493 N GLU A 540 8.924 -1.346 -0.401 1.00 0.00 N ATOM 494 CA GLU A 540 7.886 -1.423 -1.420 1.00 0.00 C ATOM 495 C GLU A 540 6.613 -0.676 -1.012 1.00 0.00 C ATOM 496 O GLU A 540 5.878 -0.179 -1.866 1.00 0.00 O ATOM 497 CB GLU A 540 7.579 -2.895 -1.682 1.00 0.00 C ATOM 498 CG GLU A 540 8.217 -3.438 -2.950 1.00 0.00 C ATOM 499 CD GLU A 540 7.837 -4.881 -3.219 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.646 -5.222 -3.058 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.731 -5.670 -3.591 1.00 0.00 O ATOM 0 H GLU A 540 9.463 -2.206 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 540 8.251 -0.940 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.922 -3.485 -0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.499 -3.026 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.915 -2.822 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.301 -3.360 -2.870 1.00 0.00 H new ATOM 508 N GLY A 541 6.358 -0.590 0.291 1.00 0.00 N ATOM 509 CA GLY A 541 5.179 0.107 0.770 1.00 0.00 C ATOM 510 C GLY A 541 5.501 1.145 1.831 1.00 0.00 C ATOM 511 O GLY A 541 4.897 2.216 1.867 1.00 0.00 O ATOM 0 H GLY A 541 6.946 -0.990 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.684 0.594 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.475 -0.618 1.179 1.00 0.00 H new ATOM 515 N ILE A 542 6.447 0.822 2.705 1.00 0.00 N ATOM 516 CA ILE A 542 6.839 1.725 3.786 1.00 0.00 C ATOM 517 C ILE A 542 7.769 2.839 3.304 1.00 0.00 C ATOM 518 O ILE A 542 7.817 3.912 3.903 1.00 0.00 O ATOM 519 CB ILE A 542 7.521 0.968 4.945 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.627 0.048 4.424 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.491 0.172 5.731 1.00 0.00 C ATOM 522 CD1 ILE A 542 9.986 0.709 4.353 1.00 0.00 C ATOM 0 H ILE A 542 6.959 -0.060 2.688 1.00 0.00 H new ATOM 0 HA ILE A 542 5.913 2.174 4.145 1.00 0.00 H new ATOM 0 HB ILE A 542 7.979 1.701 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.692 -0.828 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.354 -0.307 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.985 -0.357 6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.742 0.850 6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 542 6.007 -0.548 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.718 -0.004 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 542 9.938 1.569 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.282 1.040 5.348 1.00 0.00 H new ATOM 534 N TYR A 543 8.501 2.593 2.220 1.00 0.00 N ATOM 535 CA TYR A 543 9.412 3.599 1.678 1.00 0.00 C ATOM 536 C TYR A 543 8.952 4.056 0.297 1.00 0.00 C ATOM 537 O TYR A 543 9.501 5.000 -0.272 1.00 0.00 O ATOM 538 CB TYR A 543 10.841 3.055 1.608 1.00 0.00 C ATOM 539 CG TYR A 543 11.890 4.043 2.065 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.139 5.205 1.346 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.631 3.813 3.218 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.098 6.110 1.761 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.591 4.713 3.640 1.00 0.00 C ATOM 544 CZ TYR A 543 13.820 5.859 2.908 1.00 0.00 C ATOM 545 OH TYR A 543 14.775 6.758 3.326 1.00 0.00 O ATOM 0 H TYR A 543 8.482 1.714 1.703 1.00 0.00 H new ATOM 0 HA TYR A 543 9.402 4.459 2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.909 2.157 2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 543 11.057 2.757 0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.574 5.405 0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.454 2.916 3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.280 7.008 1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.159 4.520 4.538 1.00 0.00 H new ATOM 0 HH TYR A 543 15.192 6.433 4.151 1.00 0.00 H new ATOM 555 N ALA A 544 7.929 3.389 -0.226 1.00 0.00 N ATOM 556 CA ALA A 544 7.372 3.723 -1.526 1.00 0.00 C ATOM 557 C ALA A 544 6.111 4.556 -1.352 1.00 0.00 C ATOM 558 O ALA A 544 5.774 5.382 -2.201 1.00 0.00 O ATOM 559 CB ALA A 544 7.062 2.452 -2.294 1.00 0.00 C ATOM 0 H ALA A 544 7.467 2.607 0.238 1.00 0.00 H new ATOM 0 HA ALA A 544 8.101 4.306 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.645 2.708 -3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.978 1.877 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.340 1.856 -1.735 1.00 0.00 H new ATOM 565 N GLU A 545 5.415 4.324 -0.243 1.00 0.00 N ATOM 566 CA GLU A 545 4.184 5.047 0.047 1.00 0.00 C ATOM 567 C GLU A 545 4.302 5.858 1.338 1.00 0.00 C ATOM 568 O GLU A 545 3.721 6.937 1.458 1.00 0.00 O ATOM 569 CB GLU A 545 3.031 4.052 0.168 1.00 0.00 C ATOM 570 CG GLU A 545 1.735 4.688 0.628 1.00 0.00 C ATOM 571 CD GLU A 545 1.240 5.744 -0.342 1.00 0.00 C ATOM 572 OE1 GLU A 545 1.889 6.806 -0.445 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.208 5.506 -1.003 1.00 0.00 O ATOM 0 H GLU A 545 5.683 3.643 0.467 1.00 0.00 H new ATOM 0 HA GLU A 545 3.995 5.743 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.870 3.574 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.311 3.266 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 545 0.974 3.916 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 545 1.882 5.139 1.610 1.00 0.00 H new ATOM 580 N GLY A 546 5.069 5.332 2.286 1.00 0.00 N ATOM 581 CA GLY A 546 5.283 5.998 3.562 1.00 0.00 C ATOM 582 C GLY A 546 4.074 6.758 4.081 1.00 0.00 C ATOM 583 O GLY A 546 4.218 7.877 4.575 1.00 0.00 O ATOM 0 H GLY A 546 5.555 4.440 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.575 5.254 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.118 6.692 3.461 1.00 0.00 H new ATOM 587 N LEU A 547 2.881 6.168 3.985 1.00 0.00 N ATOM 588 CA LEU A 547 1.680 6.843 4.472 1.00 0.00 C ATOM 589 C LEU A 547 0.427 5.982 4.296 1.00 0.00 C ATOM 590 O LEU A 547 -0.230 5.628 5.276 1.00 0.00 O ATOM 591 CB LEU A 547 1.551 8.215 3.780 1.00 0.00 C ATOM 592 CG LEU A 547 0.285 8.471 2.946 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.232 9.882 3.187 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.575 8.257 1.464 1.00 0.00 C ATOM 0 H LEU A 547 2.723 5.244 3.583 1.00 0.00 H new ATOM 0 HA LEU A 547 1.776 7.004 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.610 8.986 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.415 8.346 3.129 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.484 7.763 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.128 10.048 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.472 10.006 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.533 10.604 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.330 8.442 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.357 8.945 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.906 7.231 1.302 1.00 0.00 H new ATOM 606 N MET A 548 0.103 5.644 3.057 1.00 0.00 N ATOM 607 CA MET A 548 -1.068 4.819 2.772 1.00 0.00 C ATOM 608 C MET A 548 -0.708 3.338 2.777 1.00 0.00 C ATOM 609 O MET A 548 -1.495 2.496 2.347 1.00 0.00 O ATOM 610 CB MET A 548 -1.684 5.196 1.425 1.00 0.00 C ATOM 611 CG MET A 548 -2.916 6.081 1.547 1.00 0.00 C ATOM 612 SD MET A 548 -2.551 7.829 1.304 1.00 0.00 S ATOM 613 CE MET A 548 -3.943 8.586 2.138 1.00 0.00 C ATOM 0 H MET A 548 0.632 5.926 2.232 1.00 0.00 H new ATOM 0 HA MET A 548 -1.799 5.004 3.559 1.00 0.00 H new ATOM 0 HB2 MET A 548 -0.935 5.711 0.823 1.00 0.00 H new ATOM 0 HB3 MET A 548 -1.952 4.285 0.890 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.658 5.765 0.814 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.361 5.942 2.532 1.00 0.00 H new ATOM 0 HE1 MET A 548 -3.859 9.671 2.074 1.00 0.00 H new ATOM 0 HE2 MET A 548 -4.870 8.265 1.663 1.00 0.00 H new ATOM 0 HE3 MET A 548 -3.948 8.284 3.185 1.00 0.00 H new ATOM 623 N HIS A 549 0.482 3.018 3.266 1.00 0.00 N ATOM 624 CA HIS A 549 0.918 1.635 3.325 1.00 0.00 C ATOM 625 C HIS A 549 0.039 0.831 4.280 1.00 0.00 C ATOM 626 O HIS A 549 0.114 -0.394 4.324 1.00 0.00 O ATOM 627 CB HIS A 549 2.386 1.554 3.750 1.00 0.00 C ATOM 628 CG HIS A 549 2.878 0.156 3.978 1.00 0.00 C ATOM 629 ND1 HIS A 549 2.976 -0.780 2.970 1.00 0.00 N ATOM 630 CD2 HIS A 549 3.302 -0.462 5.106 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.439 -1.914 3.469 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.644 -1.746 4.762 1.00 0.00 N ATOM 0 H HIS A 549 1.157 3.694 3.625 1.00 0.00 H new ATOM 0 HA HIS A 549 0.822 1.204 2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.002 2.025 2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 549 2.521 2.130 4.666 1.00 0.00 H new ATOM 0 HD1 HIS A 549 2.730 -0.622 1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 549 3.360 -0.026 6.092 1.00 0.00 H new ATOM 0 HE1 HIS A 549 3.619 -2.822 2.913 1.00 0.00 H new ATOM 641 N ASN A 550 -0.788 1.526 5.050 1.00 0.00 N ATOM 642 CA ASN A 550 -1.669 0.862 5.998 1.00 0.00 C ATOM 643 C ASN A 550 -3.049 0.610 5.395 1.00 0.00 C ATOM 644 O ASN A 550 -3.814 -0.212 5.899 1.00 0.00 O ATOM 645 CB ASN A 550 -1.797 1.701 7.269 1.00 0.00 C ATOM 646 CG ASN A 550 -0.667 1.447 8.247 1.00 0.00 C ATOM 647 OD1 ASN A 550 -0.863 0.824 9.291 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.524 1.931 7.915 1.00 0.00 N ATOM 0 H ASN A 550 -0.866 2.543 5.036 1.00 0.00 H new ATOM 0 HA ASN A 550 -1.230 -0.105 6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.813 2.758 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.749 1.480 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.322 1.792 8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.641 2.441 7.040 1.00 0.00 H new ATOM 655 N GLN A 551 -3.358 1.316 4.313 1.00 0.00 N ATOM 656 CA GLN A 551 -4.645 1.160 3.640 1.00 0.00 C ATOM 657 C GLN A 551 -4.716 -0.189 2.939 1.00 0.00 C ATOM 658 O GLN A 551 -4.770 -0.267 1.712 1.00 0.00 O ATOM 659 CB GLN A 551 -4.873 2.283 2.625 1.00 0.00 C ATOM 660 CG GLN A 551 -4.190 3.588 2.988 1.00 0.00 C ATOM 661 CD GLN A 551 -4.668 4.151 4.313 1.00 0.00 C ATOM 662 OE1 GLN A 551 -4.632 3.471 5.339 1.00 0.00 O ATOM 663 NE2 GLN A 551 -5.120 5.399 4.297 1.00 0.00 N ATOM 0 H GLN A 551 -2.737 2.001 3.883 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.428 1.212 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.514 1.956 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.944 2.460 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.113 3.429 3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -4.372 4.319 2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -5.132 5.926 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -5.456 5.831 5.158 1.00 0.00 H new ATOM 672 N ASP A 552 -4.709 -1.249 3.732 1.00 0.00 N ATOM 673 CA ASP A 552 -4.766 -2.605 3.204 1.00 0.00 C ATOM 674 C ASP A 552 -6.204 -3.098 3.095 1.00 0.00 C ATOM 675 O ASP A 552 -6.450 -4.302 3.072 1.00 0.00 O ATOM 676 CB ASP A 552 -3.963 -3.551 4.094 1.00 0.00 C ATOM 677 CG ASP A 552 -2.552 -3.055 4.345 1.00 0.00 C ATOM 678 OD1 ASP A 552 -2.380 -2.165 5.204 1.00 0.00 O ATOM 679 OD2 ASP A 552 -1.619 -3.555 3.682 1.00 0.00 O ATOM 0 H ASP A 552 -4.664 -1.196 4.750 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.333 -2.591 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -4.477 -3.672 5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -3.921 -4.535 3.628 1.00 0.00 H new ATOM 684 N GLY A 553 -7.149 -2.165 3.042 1.00 0.00 N ATOM 685 CA GLY A 553 -8.550 -2.527 2.952 1.00 0.00 C ATOM 686 C GLY A 553 -9.320 -2.047 4.159 1.00 0.00 C ATOM 687 O GLY A 553 -10.476 -1.637 4.054 1.00 0.00 O ATOM 0 H GLY A 553 -6.968 -1.161 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.981 -2.097 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.643 -3.610 2.866 1.00 0.00 H new ATOM 691 N LEU A 554 -8.658 -2.079 5.310 1.00 0.00 N ATOM 692 CA LEU A 554 -9.255 -1.627 6.559 1.00 0.00 C ATOM 693 C LEU A 554 -9.732 -0.192 6.413 1.00 0.00 C ATOM 694 O LEU A 554 -10.912 0.113 6.576 1.00 0.00 O ATOM 695 CB LEU A 554 -8.227 -1.697 7.685 1.00 0.00 C ATOM 696 CG LEU A 554 -7.310 -2.925 7.659 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.926 -2.549 7.154 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.221 -3.558 9.040 1.00 0.00 C ATOM 0 H LEU A 554 -7.700 -2.416 5.403 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.100 -2.273 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.608 -0.801 7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.755 -1.678 8.638 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.739 -3.657 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.290 -3.434 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.004 -2.146 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.490 -1.797 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -6.565 -4.428 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -6.819 -2.833 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.215 -3.867 9.363 1.00 0.00 H new ATOM 710 N ILE A 555 -8.785 0.676 6.096 1.00 0.00 N ATOM 711 CA ILE A 555 -9.052 2.086 5.910 1.00 0.00 C ATOM 712 C ILE A 555 -9.787 2.326 4.593 1.00 0.00 C ATOM 713 O ILE A 555 -9.280 2.999 3.695 1.00 0.00 O ATOM 714 CB ILE A 555 -7.730 2.867 5.914 1.00 0.00 C ATOM 715 CG1 ILE A 555 -6.957 2.632 7.219 1.00 0.00 C ATOM 716 CG2 ILE A 555 -7.974 4.351 5.689 1.00 0.00 C ATOM 717 CD1 ILE A 555 -7.843 2.411 8.429 1.00 0.00 C ATOM 0 H ILE A 555 -7.807 0.418 5.961 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.684 2.431 6.728 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.120 2.497 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.308 1.765 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.311 3.490 7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.022 4.881 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.464 4.497 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.612 4.739 6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.222 2.252 9.311 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.474 3.286 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.471 1.535 8.265 1.00 0.00 H new ATOM 729 N CYS A 556 -10.983 1.761 4.491 1.00 0.00 N ATOM 730 CA CYS A 556 -11.799 1.898 3.290 1.00 0.00 C ATOM 731 C CYS A 556 -12.294 3.333 3.105 1.00 0.00 C ATOM 732 O CYS A 556 -12.845 3.673 2.059 1.00 0.00 O ATOM 733 CB CYS A 556 -12.990 0.938 3.350 1.00 0.00 C ATOM 734 SG CYS A 556 -13.112 -0.187 1.920 1.00 0.00 S ATOM 0 H CYS A 556 -11.412 1.201 5.228 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.173 1.647 2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.919 0.344 4.261 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.909 1.520 3.420 1.00 0.00 H new ATOM 739 N GLY A 557 -12.098 4.171 4.122 1.00 0.00 N ATOM 740 CA GLY A 557 -12.535 5.555 4.036 1.00 0.00 C ATOM 741 C GLY A 557 -11.928 6.297 2.858 1.00 0.00 C ATOM 742 O GLY A 557 -12.430 7.345 2.454 1.00 0.00 O ATOM 0 H GLY A 557 -11.646 3.917 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -13.622 5.583 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.271 6.072 4.959 1.00 0.00 H new ATOM 746 N LEU A 558 -10.844 5.755 2.309 1.00 0.00 N ATOM 747 CA LEU A 558 -10.163 6.374 1.174 1.00 0.00 C ATOM 748 C LEU A 558 -11.135 6.714 0.046 1.00 0.00 C ATOM 749 O LEU A 558 -11.224 7.864 -0.385 1.00 0.00 O ATOM 750 CB LEU A 558 -9.064 5.447 0.649 1.00 0.00 C ATOM 751 CG LEU A 558 -9.465 3.975 0.519 1.00 0.00 C ATOM 752 CD1 LEU A 558 -9.760 3.628 -0.932 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.375 3.072 1.074 1.00 0.00 C ATOM 0 H LEU A 558 -10.417 4.887 2.632 1.00 0.00 H new ATOM 0 HA LEU A 558 -9.719 7.305 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -8.742 5.808 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.203 5.516 1.314 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.372 3.814 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.043 2.578 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.578 4.250 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -8.871 3.807 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.679 2.030 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.450 3.236 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.213 3.302 2.127 1.00 0.00 H new ATOM 765 N ARG A 559 -11.855 5.707 -0.432 1.00 0.00 N ATOM 766 CA ARG A 559 -12.815 5.895 -1.518 1.00 0.00 C ATOM 767 C ARG A 559 -12.137 6.488 -2.747 1.00 0.00 C ATOM 768 O ARG A 559 -10.909 6.553 -2.822 1.00 0.00 O ATOM 769 CB ARG A 559 -13.955 6.810 -1.075 1.00 0.00 C ATOM 770 CG ARG A 559 -15.008 6.111 -0.233 1.00 0.00 C ATOM 771 CD ARG A 559 -14.537 5.931 1.199 1.00 0.00 C ATOM 772 NE ARG A 559 -15.413 5.036 1.954 1.00 0.00 N ATOM 773 CZ ARG A 559 -15.965 5.342 3.129 1.00 0.00 C ATOM 774 NH1 ARG A 559 -15.735 6.517 3.702 1.00 0.00 N ATOM 775 NH2 ARG A 559 -16.752 4.463 3.735 1.00 0.00 N ATOM 0 H ARG A 559 -11.794 4.750 -0.086 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.220 4.916 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -13.541 7.642 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -14.432 7.235 -1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -15.931 6.691 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -15.238 5.138 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -13.523 5.532 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.498 6.902 1.693 1.00 0.00 H new ATOM 0 HE ARG A 559 -15.615 4.119 1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -15.130 7.198 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -16.163 6.739 4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -16.933 3.557 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.176 4.693 4.634 1.00 0.00 H new ATOM 789 N GLN A 560 -12.944 6.924 -3.712 1.00 0.00 N ATOM 790 CA GLN A 560 -12.422 7.513 -4.938 1.00 0.00 C ATOM 791 C GLN A 560 -11.420 8.623 -4.633 1.00 0.00 C ATOM 792 O GLN A 560 -11.363 9.064 -3.465 1.00 0.00 O ATOM 793 CB GLN A 560 -13.561 8.065 -5.804 1.00 0.00 C ATOM 794 CG GLN A 560 -14.706 8.683 -5.013 1.00 0.00 C ATOM 795 CD GLN A 560 -14.232 9.601 -3.903 1.00 0.00 C ATOM 796 OE1 GLN A 560 -13.367 10.451 -4.111 1.00 0.00 O ATOM 797 NE2 GLN A 560 -14.801 9.434 -2.714 1.00 0.00 N ATOM 798 OXT GLN A 560 -10.702 9.043 -5.564 1.00 0.00 O ATOM 0 H GLN A 560 -13.962 6.879 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 560 -11.909 6.724 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.155 8.817 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.955 7.259 -6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -15.348 9.244 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -15.315 7.887 -4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.515 8.716 -2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -14.524 10.023 -1.929 1.00 0.00 H new TER 807 GLN A 560