USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 521 GLN :FLIP amide:sc= -5.5! C(o=-8.3!,f=-6.4!) USER MOD Set 1.2: A 550 ASN :FLIP amide:sc= -0.907 F(o=-8.3,f=-6.4) USER MOD Set 2.1: A 512 ASN :FLIP amide:sc= -1.31 F(o=-3.6!,f=-2.8) USER MOD Set 2.2: A 516 HIS :FLIP no HD1:sc= -1.47 X(o=-3.2,f=-2.8) USER MOD Single : A 508 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.82) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.7!) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot 149:sc= -1.11 USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl -159:sc= -3.47! (180deg=-4.62!) USER MOD Single : A 549 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 551 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.1!) USER MOD Single : A 560 GLN :FLIP amide:sc= -2.96! C(o=-6.2!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -10.098 -11.650 -1.005 1.00 0.00 N ATOM 2 CA ALA A 507 -10.816 -10.730 -0.085 1.00 0.00 C ATOM 3 C ALA A 507 -9.911 -10.282 1.058 1.00 0.00 C ATOM 4 O ALA A 507 -8.729 -10.627 1.098 1.00 0.00 O ATOM 5 CB ALA A 507 -12.065 -11.402 0.465 1.00 0.00 C ATOM 0 HA ALA A 507 -11.110 -9.846 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -12.581 -10.717 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -12.727 -11.669 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -11.783 -12.302 1.011 1.00 0.00 H new ATOM 13 N GLN A 508 -10.470 -9.511 1.985 1.00 0.00 N ATOM 14 CA GLN A 508 -9.711 -9.015 3.128 1.00 0.00 C ATOM 15 C GLN A 508 -10.600 -8.177 4.052 1.00 0.00 C ATOM 16 O GLN A 508 -11.238 -7.221 3.612 1.00 0.00 O ATOM 17 CB GLN A 508 -8.509 -8.189 2.657 1.00 0.00 C ATOM 18 CG GLN A 508 -8.747 -7.430 1.355 1.00 0.00 C ATOM 19 CD GLN A 508 -7.876 -7.933 0.220 1.00 0.00 C ATOM 20 OE1 GLN A 508 -8.378 -8.387 -0.808 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.562 -7.858 0.403 1.00 0.00 N ATOM 0 H GLN A 508 -11.446 -9.216 1.967 1.00 0.00 H new ATOM 0 HA GLN A 508 -9.346 -9.875 3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.243 -7.476 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -7.654 -8.853 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.796 -7.522 1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.552 -6.370 1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -6.189 -7.474 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.926 -8.184 -0.325 1.00 0.00 H new ATOM 30 N PRO A 509 -10.675 -8.543 5.346 1.00 0.00 N ATOM 31 CA PRO A 509 -11.502 -7.851 6.333 1.00 0.00 C ATOM 32 C PRO A 509 -10.728 -6.823 7.157 1.00 0.00 C ATOM 33 O PRO A 509 -10.051 -7.168 8.125 1.00 0.00 O ATOM 34 CB PRO A 509 -11.912 -9.010 7.217 1.00 0.00 C ATOM 35 CG PRO A 509 -10.649 -9.786 7.323 1.00 0.00 C ATOM 36 CD PRO A 509 -9.989 -9.692 5.965 1.00 0.00 C ATOM 0 HA PRO A 509 -12.312 -7.279 5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.266 -8.673 8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -12.715 -9.598 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -10.003 -9.377 8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -10.849 -10.824 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -8.915 -9.525 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -10.126 -10.605 5.385 1.00 0.00 H new ATOM 44 N LYS A 510 -10.848 -5.568 6.775 1.00 0.00 N ATOM 45 CA LYS A 510 -10.178 -4.477 7.477 1.00 0.00 C ATOM 46 C LYS A 510 -10.941 -3.174 7.294 1.00 0.00 C ATOM 47 O LYS A 510 -11.362 -2.538 8.260 1.00 0.00 O ATOM 48 CB LYS A 510 -8.742 -4.326 6.975 1.00 0.00 C ATOM 49 CG LYS A 510 -7.735 -5.133 7.776 1.00 0.00 C ATOM 50 CD LYS A 510 -7.557 -4.573 9.179 1.00 0.00 C ATOM 51 CE LYS A 510 -7.825 -5.628 10.242 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.578 -6.332 10.656 1.00 0.00 N ATOM 0 H LYS A 510 -11.407 -5.270 5.976 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.154 -4.715 8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.696 -4.635 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.462 -3.273 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.065 -6.170 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -6.775 -5.134 7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.543 -4.191 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -8.233 -3.730 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.282 -5.158 11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.542 -6.355 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.805 -7.042 11.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.155 -6.803 9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -5.903 -5.643 11.045 1.00 0.00 H new ATOM 66 N CYS A 511 -11.115 -2.797 6.042 1.00 0.00 N ATOM 67 CA CYS A 511 -11.831 -1.580 5.676 1.00 0.00 C ATOM 68 C CYS A 511 -10.983 -0.344 5.911 1.00 0.00 C ATOM 69 O CYS A 511 -11.466 0.677 6.400 1.00 0.00 O ATOM 70 CB CYS A 511 -13.157 -1.472 6.429 1.00 0.00 C ATOM 71 SG CYS A 511 -14.621 -1.432 5.342 1.00 0.00 S ATOM 0 H CYS A 511 -10.764 -3.325 5.243 1.00 0.00 H new ATOM 0 HA CYS A 511 -12.048 -1.640 4.609 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -13.246 -2.317 7.112 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -13.145 -0.569 7.039 1.00 0.00 H new ATOM 76 N ASN A 512 -9.718 -0.437 5.536 1.00 0.00 N ATOM 77 CA ASN A 512 -8.802 0.682 5.683 1.00 0.00 C ATOM 78 C ASN A 512 -7.763 0.710 4.560 1.00 0.00 C ATOM 79 O ASN A 512 -6.609 1.067 4.793 1.00 0.00 O ATOM 80 CB ASN A 512 -8.101 0.629 7.041 1.00 0.00 C ATOM 81 CG ASN A 512 -7.728 2.009 7.548 1.00 0.00 C ATOM 82 OD1 ASN A 512 -6.938 2.732 6.763 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -8.147 2.419 8.630 1.00 0.00 N flip ATOM 0 H ASN A 512 -9.302 -1.274 5.128 1.00 0.00 H new ATOM 0 HA ASN A 512 -9.392 1.596 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -8.753 0.142 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -7.202 0.018 6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -8.752 1.828 9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -7.889 3.350 8.957 1.00 0.00 H new ATOM 90 N PRO A 513 -8.148 0.338 3.324 1.00 0.00 N ATOM 91 CA PRO A 513 -7.219 0.337 2.192 1.00 0.00 C ATOM 92 C PRO A 513 -6.799 1.745 1.771 1.00 0.00 C ATOM 93 O PRO A 513 -5.659 2.155 1.989 1.00 0.00 O ATOM 94 CB PRO A 513 -8.009 -0.336 1.069 1.00 0.00 C ATOM 95 CG PRO A 513 -9.441 -0.140 1.429 1.00 0.00 C ATOM 96 CD PRO A 513 -9.500 -0.109 2.930 1.00 0.00 C ATOM 0 HA PRO A 513 -6.290 -0.174 2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -7.781 0.113 0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -7.763 -1.395 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.824 0.789 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.055 -0.948 1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -10.268 0.577 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.733 -1.091 3.342 1.00 0.00 H new ATOM 104 N ASN A 514 -7.722 2.472 1.150 1.00 0.00 N ATOM 105 CA ASN A 514 -7.451 3.819 0.676 1.00 0.00 C ATOM 106 C ASN A 514 -7.736 4.866 1.753 1.00 0.00 C ATOM 107 O ASN A 514 -7.871 6.052 1.456 1.00 0.00 O ATOM 108 CB ASN A 514 -8.284 4.092 -0.581 1.00 0.00 C ATOM 109 CG ASN A 514 -9.669 4.636 -0.277 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.840 5.831 -0.033 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.665 3.759 -0.289 1.00 0.00 N ATOM 0 H ASN A 514 -8.670 2.145 0.964 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.391 3.893 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.753 4.803 -1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.381 3.169 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.617 4.066 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.478 2.778 -0.496 1.00 0.00 H new ATOM 118 N LEU A 515 -7.824 4.424 3.002 1.00 0.00 N ATOM 119 CA LEU A 515 -8.089 5.328 4.111 1.00 0.00 C ATOM 120 C LEU A 515 -6.879 5.400 5.036 1.00 0.00 C ATOM 121 O LEU A 515 -7.010 5.367 6.261 1.00 0.00 O ATOM 122 CB LEU A 515 -9.334 4.874 4.876 1.00 0.00 C ATOM 123 CG LEU A 515 -10.656 5.049 4.118 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.750 6.448 3.527 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.792 3.996 3.023 1.00 0.00 C ATOM 0 H LEU A 515 -7.716 3.446 3.270 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.275 6.327 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.218 3.822 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.391 5.431 5.811 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.476 4.916 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.694 6.555 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -10.701 7.185 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -9.922 6.607 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.736 4.138 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.966 4.095 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.771 3.002 3.470 1.00 0.00 H new ATOM 137 N HIS A 516 -5.700 5.498 4.428 1.00 0.00 N ATOM 138 CA HIS A 516 -4.441 5.577 5.164 1.00 0.00 C ATOM 139 C HIS A 516 -3.256 5.477 4.208 1.00 0.00 C ATOM 140 O HIS A 516 -2.207 6.069 4.447 1.00 0.00 O ATOM 141 CB HIS A 516 -4.351 4.465 6.212 1.00 0.00 C ATOM 142 CG HIS A 516 -4.666 4.923 7.603 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.879 6.165 8.100 1.00 0.00 N flip ATOM 144 CD2 HIS A 516 -4.794 4.058 8.669 1.00 0.00 C flip ATOM 145 CE1 HIS A 516 -5.130 6.027 9.443 1.00 0.00 C flip ATOM 146 NE2 HIS A 516 -5.074 4.747 9.761 1.00 0.00 N flip ATOM 0 H HIS A 516 -5.590 5.525 3.414 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.411 6.541 5.672 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.037 3.663 5.939 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.346 4.043 6.196 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -4.683 2.985 8.619 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -5.339 6.835 10.128 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -5.222 4.356 10.692 1.00 0.00 H new ATOM 155 N TYR A 517 -3.439 4.715 3.130 1.00 0.00 N ATOM 156 CA TYR A 517 -2.393 4.510 2.121 1.00 0.00 C ATOM 157 C TYR A 517 -1.578 5.785 1.862 1.00 0.00 C ATOM 158 O TYR A 517 -0.348 5.756 1.854 1.00 0.00 O ATOM 159 CB TYR A 517 -3.022 3.991 0.816 1.00 0.00 C ATOM 160 CG TYR A 517 -3.773 5.041 0.020 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.870 5.702 0.559 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.384 5.364 -1.274 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.556 6.657 -0.169 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.066 6.316 -2.007 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.150 6.959 -1.450 1.00 0.00 C ATOM 166 OH TYR A 517 -5.832 7.908 -2.177 1.00 0.00 O ATOM 0 H TYR A 517 -4.310 4.224 2.930 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.698 3.765 2.509 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.235 3.572 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.706 3.177 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.192 5.466 1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.535 4.863 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.406 7.163 0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.751 6.555 -3.012 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.418 8.003 -3.060 1.00 0.00 H new ATOM 176 N TRP A 518 -2.276 6.897 1.655 1.00 0.00 N ATOM 177 CA TRP A 518 -1.640 8.194 1.400 1.00 0.00 C ATOM 178 C TRP A 518 -0.561 8.527 2.439 1.00 0.00 C ATOM 179 O TRP A 518 0.301 9.368 2.200 1.00 0.00 O ATOM 180 CB TRP A 518 -2.699 9.302 1.397 1.00 0.00 C ATOM 181 CG TRP A 518 -3.786 9.085 2.407 1.00 0.00 C ATOM 182 CD1 TRP A 518 -3.628 8.701 3.707 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.196 9.229 2.200 1.00 0.00 C ATOM 184 NE1 TRP A 518 -4.849 8.589 4.320 1.00 0.00 N ATOM 185 CE2 TRP A 518 -5.829 8.912 3.417 1.00 0.00 C ATOM 186 CE3 TRP A 518 -5.984 9.594 1.105 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.214 8.949 3.568 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.357 9.632 1.256 1.00 0.00 C ATOM 189 CH2 TRP A 518 -7.959 9.311 2.480 1.00 0.00 C ATOM 0 H TRP A 518 -3.295 6.929 1.658 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.156 8.130 0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.215 10.259 1.594 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.143 9.368 0.404 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -2.678 8.512 4.184 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.003 8.311 5.289 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.528 9.842 0.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -7.682 8.701 4.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -7.976 9.914 0.417 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.035 9.350 2.566 1.00 0.00 H new ATOM 200 N THR A 519 -0.626 7.879 3.595 1.00 0.00 N ATOM 201 CA THR A 519 0.333 8.120 4.671 1.00 0.00 C ATOM 202 C THR A 519 1.772 7.948 4.190 1.00 0.00 C ATOM 203 O THR A 519 2.603 8.843 4.340 1.00 0.00 O ATOM 204 CB THR A 519 0.042 7.165 5.824 1.00 0.00 C ATOM 205 OG1 THR A 519 0.832 7.476 6.957 1.00 0.00 O ATOM 206 CG2 THR A 519 0.278 5.715 5.479 1.00 0.00 C ATOM 0 H THR A 519 -1.335 7.179 3.814 1.00 0.00 H new ATOM 0 HA THR A 519 0.224 9.151 5.008 1.00 0.00 H new ATOM 0 HB THR A 519 -1.018 7.300 6.040 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.625 6.850 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.051 5.093 6.345 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.367 5.429 4.648 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.321 5.574 5.194 1.00 0.00 H new ATOM 214 N THR A 520 2.045 6.795 3.603 1.00 0.00 N ATOM 215 CA THR A 520 3.360 6.479 3.076 1.00 0.00 C ATOM 216 C THR A 520 3.224 6.122 1.610 1.00 0.00 C ATOM 217 O THR A 520 4.057 6.481 0.783 1.00 0.00 O ATOM 218 CB THR A 520 3.987 5.312 3.848 1.00 0.00 C ATOM 219 OG1 THR A 520 5.388 5.484 3.963 1.00 0.00 O ATOM 220 CG2 THR A 520 3.742 3.956 3.206 1.00 0.00 C ATOM 0 H THR A 520 1.359 6.051 3.479 1.00 0.00 H new ATOM 0 HA THR A 520 4.012 7.345 3.188 1.00 0.00 H new ATOM 0 HB THR A 520 3.502 5.323 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.699 5.081 4.800 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.214 3.178 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.670 3.769 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 520 4.166 3.947 2.202 1.00 0.00 H new ATOM 228 N GLN A 521 2.141 5.420 1.302 1.00 0.00 N ATOM 229 CA GLN A 521 1.861 5.021 -0.062 1.00 0.00 C ATOM 230 C GLN A 521 1.245 6.205 -0.796 1.00 0.00 C ATOM 231 O GLN A 521 0.476 6.967 -0.216 1.00 0.00 O ATOM 232 CB GLN A 521 0.950 3.779 -0.070 1.00 0.00 C ATOM 233 CG GLN A 521 -0.192 3.821 -1.070 1.00 0.00 C ATOM 234 CD GLN A 521 0.278 4.006 -2.496 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.326 4.960 -3.187 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 1.171 3.302 -2.968 1.00 0.00 N flip ATOM 0 H GLN A 521 1.444 5.117 1.983 1.00 0.00 H new ATOM 0 HA GLN A 521 2.777 4.740 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.562 2.901 -0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.533 3.648 0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.764 2.896 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.868 4.635 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 521 1.607 2.579 -2.396 1.00 0.00 H new ATOM 0 HE22 GLN A 521 1.475 3.442 -3.931 1.00 0.00 H new ATOM 245 N ASP A 522 1.630 6.380 -2.057 1.00 0.00 N ATOM 246 CA ASP A 522 1.159 7.507 -2.873 1.00 0.00 C ATOM 247 C ASP A 522 2.013 8.740 -2.593 1.00 0.00 C ATOM 248 O ASP A 522 1.685 9.854 -3.003 1.00 0.00 O ATOM 249 CB ASP A 522 -0.315 7.828 -2.594 1.00 0.00 C ATOM 250 CG ASP A 522 -1.140 7.913 -3.864 1.00 0.00 C ATOM 251 OD1 ASP A 522 -0.768 7.256 -4.858 1.00 0.00 O ATOM 252 OD2 ASP A 522 -2.158 8.636 -3.863 1.00 0.00 O ATOM 0 H ASP A 522 2.271 5.754 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 522 1.251 7.222 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.734 7.061 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -0.382 8.774 -2.056 1.00 0.00 H new ATOM 257 N GLU A 523 3.109 8.515 -1.880 1.00 0.00 N ATOM 258 CA GLU A 523 4.041 9.570 -1.508 1.00 0.00 C ATOM 259 C GLU A 523 5.429 8.971 -1.345 1.00 0.00 C ATOM 260 O GLU A 523 6.439 9.581 -1.694 1.00 0.00 O ATOM 261 CB GLU A 523 3.603 10.247 -0.199 1.00 0.00 C ATOM 262 CG GLU A 523 2.270 9.747 0.347 1.00 0.00 C ATOM 263 CD GLU A 523 1.135 10.713 0.070 1.00 0.00 C ATOM 264 OE1 GLU A 523 0.939 11.646 0.877 1.00 0.00 O ATOM 265 OE2 GLU A 523 0.441 10.538 -0.954 1.00 0.00 O ATOM 0 H GLU A 523 3.377 7.591 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 523 4.055 10.327 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 523 4.374 10.088 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 523 3.535 11.322 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.038 8.780 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.356 9.590 1.422 1.00 0.00 H new ATOM 272 N GLY A 524 5.447 7.757 -0.819 1.00 0.00 N ATOM 273 CA GLY A 524 6.684 7.040 -0.611 1.00 0.00 C ATOM 274 C GLY A 524 6.669 5.674 -1.274 1.00 0.00 C ATOM 275 O GLY A 524 7.723 5.103 -1.556 1.00 0.00 O ATOM 0 H GLY A 524 4.611 7.249 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.513 7.626 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.859 6.922 0.458 1.00 0.00 H new ATOM 279 N ALA A 525 5.469 5.149 -1.533 1.00 0.00 N ATOM 280 CA ALA A 525 5.327 3.848 -2.175 1.00 0.00 C ATOM 281 C ALA A 525 4.696 3.991 -3.554 1.00 0.00 C ATOM 282 O ALA A 525 4.093 3.055 -4.078 1.00 0.00 O ATOM 283 CB ALA A 525 4.502 2.914 -1.301 1.00 0.00 C ATOM 0 H ALA A 525 4.586 5.607 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 525 6.320 3.417 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 525 4.404 1.946 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.998 2.783 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.512 3.342 -1.144 1.00 0.00 H new ATOM 289 N ALA A 526 4.838 5.177 -4.128 1.00 0.00 N ATOM 290 CA ALA A 526 4.282 5.468 -5.447 1.00 0.00 C ATOM 291 C ALA A 526 5.173 6.408 -6.259 1.00 0.00 C ATOM 292 O ALA A 526 4.846 6.755 -7.394 1.00 0.00 O ATOM 293 CB ALA A 526 2.903 6.077 -5.298 1.00 0.00 C ATOM 0 H ALA A 526 5.335 5.958 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 526 4.221 4.525 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 526 2.492 6.293 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.250 5.376 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 526 2.973 7.001 -4.724 1.00 0.00 H new ATOM 299 N ILE A 527 6.285 6.827 -5.673 1.00 0.00 N ATOM 300 CA ILE A 527 7.207 7.736 -6.339 1.00 0.00 C ATOM 301 C ILE A 527 8.640 7.220 -6.241 1.00 0.00 C ATOM 302 O ILE A 527 9.414 7.320 -7.193 1.00 0.00 O ATOM 303 CB ILE A 527 7.134 9.158 -5.737 1.00 0.00 C ATOM 304 CG1 ILE A 527 6.281 9.162 -4.458 1.00 0.00 C ATOM 305 CG2 ILE A 527 6.584 10.144 -6.762 1.00 0.00 C ATOM 306 CD1 ILE A 527 4.788 9.276 -4.701 1.00 0.00 C ATOM 0 H ILE A 527 6.572 6.551 -4.734 1.00 0.00 H new ATOM 0 HA ILE A 527 6.910 7.785 -7.387 1.00 0.00 H new ATOM 0 HB ILE A 527 8.143 9.472 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 527 6.477 8.245 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 527 6.598 9.992 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 527 6.539 11.140 -6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 527 7.236 10.162 -7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 527 5.583 9.835 -7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 527 4.263 9.271 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 527 4.575 10.206 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 527 4.452 8.433 -5.304 1.00 0.00 H new ATOM 318 N GLY A 528 8.985 6.665 -5.083 1.00 0.00 N ATOM 319 CA GLY A 528 10.321 6.139 -4.881 1.00 0.00 C ATOM 320 C GLY A 528 10.506 4.773 -5.504 1.00 0.00 C ATOM 321 O GLY A 528 10.712 4.661 -6.714 1.00 0.00 O ATOM 0 H GLY A 528 8.362 6.571 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.048 6.830 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.526 6.078 -3.812 1.00 0.00 H new ATOM 325 N LEU A 529 10.438 3.727 -4.685 1.00 0.00 N ATOM 326 CA LEU A 529 10.609 2.369 -5.183 1.00 0.00 C ATOM 327 C LEU A 529 9.606 1.405 -4.554 1.00 0.00 C ATOM 328 O LEU A 529 9.915 0.716 -3.582 1.00 0.00 O ATOM 329 CB LEU A 529 12.036 1.885 -4.928 1.00 0.00 C ATOM 330 CG LEU A 529 12.793 1.432 -6.176 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.182 2.631 -7.025 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.024 0.625 -5.788 1.00 0.00 C ATOM 0 H LEU A 529 10.267 3.794 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 529 10.423 2.387 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.597 2.689 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.002 1.057 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 529 12.137 0.792 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 529 13.720 2.291 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.284 3.167 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 529 13.822 3.296 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 529 14.551 0.310 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 529 14.685 1.240 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 529 13.719 -0.254 -5.220 1.00 0.00 H new ATOM 344 N ALA A 530 8.412 1.353 -5.133 1.00 0.00 N ATOM 345 CA ALA A 530 7.357 0.461 -4.659 1.00 0.00 C ATOM 346 C ALA A 530 6.954 -0.524 -5.754 1.00 0.00 C ATOM 347 O ALA A 530 6.350 -1.564 -5.489 1.00 0.00 O ATOM 348 CB ALA A 530 6.153 1.263 -4.204 1.00 0.00 C ATOM 0 H ALA A 530 8.148 1.922 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 530 7.741 -0.105 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.375 0.585 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.445 1.930 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 530 5.772 1.852 -5.038 1.00 0.00 H new ATOM 354 N TRP A 531 7.310 -0.179 -6.985 1.00 0.00 N ATOM 355 CA TRP A 531 7.019 -1.002 -8.157 1.00 0.00 C ATOM 356 C TRP A 531 7.901 -2.248 -8.169 1.00 0.00 C ATOM 357 O TRP A 531 7.673 -3.177 -8.944 1.00 0.00 O ATOM 358 CB TRP A 531 7.263 -0.182 -9.434 1.00 0.00 C ATOM 359 CG TRP A 531 8.027 1.076 -9.167 1.00 0.00 C ATOM 360 CD1 TRP A 531 9.379 1.206 -9.054 1.00 0.00 C ATOM 361 CD2 TRP A 531 7.475 2.374 -8.930 1.00 0.00 C ATOM 362 NE1 TRP A 531 9.703 2.506 -8.760 1.00 0.00 N ATOM 363 CE2 TRP A 531 8.551 3.247 -8.686 1.00 0.00 C ATOM 364 CE3 TRP A 531 6.173 2.882 -8.907 1.00 0.00 C ATOM 365 CZ2 TRP A 531 8.362 4.601 -8.418 1.00 0.00 C ATOM 366 CZ3 TRP A 531 5.988 4.225 -8.641 1.00 0.00 C ATOM 367 CH2 TRP A 531 7.076 5.071 -8.401 1.00 0.00 C ATOM 0 H TRP A 531 7.811 0.683 -7.202 1.00 0.00 H new ATOM 0 HA TRP A 531 5.976 -1.315 -8.116 1.00 0.00 H new ATOM 0 HB2 TRP A 531 7.810 -0.790 -10.154 1.00 0.00 H new ATOM 0 HB3 TRP A 531 6.305 0.068 -9.891 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.091 0.403 -9.178 1.00 0.00 H new ATOM 0 HE1 TRP A 531 10.648 2.864 -8.619 1.00 0.00 H new ATOM 0 HE3 TRP A 531 5.327 2.237 -9.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 9.200 5.256 -8.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 4.987 4.629 -8.618 1.00 0.00 H new ATOM 0 HH2 TRP A 531 6.898 6.117 -8.198 1.00 0.00 H new ATOM 378 N ILE A 532 8.913 -2.253 -7.306 1.00 0.00 N ATOM 379 CA ILE A 532 9.837 -3.377 -7.214 1.00 0.00 C ATOM 380 C ILE A 532 9.303 -4.453 -6.263 1.00 0.00 C ATOM 381 O ILE A 532 8.922 -4.155 -5.131 1.00 0.00 O ATOM 382 CB ILE A 532 11.244 -2.918 -6.750 1.00 0.00 C ATOM 383 CG1 ILE A 532 11.289 -2.715 -5.233 1.00 0.00 C ATOM 384 CG2 ILE A 532 11.654 -1.632 -7.461 1.00 0.00 C ATOM 385 CD1 ILE A 532 10.320 -1.669 -4.734 1.00 0.00 C ATOM 0 H ILE A 532 9.113 -1.490 -6.660 1.00 0.00 H new ATOM 0 HA ILE A 532 9.925 -3.802 -8.214 1.00 0.00 H new ATOM 0 HB ILE A 532 11.950 -3.706 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.072 -3.663 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.300 -2.430 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 532 12.644 -1.328 -7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.677 -1.803 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 532 10.935 -0.845 -7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 532 10.407 -1.579 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 532 10.550 -0.710 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 532 9.303 -1.963 -4.993 1.00 0.00 H new ATOM 397 N PRO A 533 9.259 -5.723 -6.710 1.00 0.00 N ATOM 398 CA PRO A 533 8.760 -6.829 -5.894 1.00 0.00 C ATOM 399 C PRO A 533 9.834 -7.438 -4.993 1.00 0.00 C ATOM 400 O PRO A 533 9.977 -8.659 -4.927 1.00 0.00 O ATOM 401 CB PRO A 533 8.317 -7.836 -6.949 1.00 0.00 C ATOM 402 CG PRO A 533 9.270 -7.636 -8.079 1.00 0.00 C ATOM 403 CD PRO A 533 9.677 -6.181 -8.049 1.00 0.00 C ATOM 0 HA PRO A 533 7.976 -6.514 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 533 8.362 -8.856 -6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 533 7.288 -7.657 -7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 533 10.140 -8.284 -7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 533 8.801 -7.888 -9.030 1.00 0.00 H new ATOM 0 HD2 PRO A 533 10.751 -6.063 -8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.185 -5.612 -8.838 1.00 0.00 H new ATOM 411 N TYR A 534 10.588 -6.587 -4.303 1.00 0.00 N ATOM 412 CA TYR A 534 11.647 -7.062 -3.414 1.00 0.00 C ATOM 413 C TYR A 534 11.845 -6.139 -2.205 1.00 0.00 C ATOM 414 O TYR A 534 12.764 -6.342 -1.411 1.00 0.00 O ATOM 415 CB TYR A 534 12.961 -7.221 -4.191 1.00 0.00 C ATOM 416 CG TYR A 534 13.832 -5.981 -4.219 1.00 0.00 C ATOM 417 CD1 TYR A 534 13.525 -4.909 -5.048 1.00 0.00 C ATOM 418 CD2 TYR A 534 14.962 -5.888 -3.418 1.00 0.00 C ATOM 419 CE1 TYR A 534 14.321 -3.780 -5.077 1.00 0.00 C ATOM 420 CE2 TYR A 534 15.763 -4.761 -3.440 1.00 0.00 C ATOM 421 CZ TYR A 534 15.438 -3.711 -4.271 1.00 0.00 C ATOM 422 OH TYR A 534 16.233 -2.588 -4.296 1.00 0.00 O ATOM 0 H TYR A 534 10.488 -5.573 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 534 11.339 -8.034 -3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 534 13.531 -8.039 -3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 534 12.729 -7.509 -5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 534 12.650 -4.959 -5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 534 15.220 -6.710 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 534 14.070 -2.955 -5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 534 16.638 -4.704 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 534 16.978 -2.700 -3.669 1.00 0.00 H new ATOM 432 N PHE A 535 10.995 -5.122 -2.072 1.00 0.00 N ATOM 433 CA PHE A 535 11.103 -4.179 -0.962 1.00 0.00 C ATOM 434 C PHE A 535 10.365 -4.670 0.284 1.00 0.00 C ATOM 435 O PHE A 535 10.042 -3.877 1.169 1.00 0.00 O ATOM 436 CB PHE A 535 10.556 -2.812 -1.379 1.00 0.00 C ATOM 437 CG PHE A 535 11.561 -1.703 -1.259 1.00 0.00 C ATOM 438 CD1 PHE A 535 12.489 -1.482 -2.261 1.00 0.00 C ATOM 439 CD2 PHE A 535 11.573 -0.878 -0.146 1.00 0.00 C ATOM 440 CE1 PHE A 535 13.413 -0.462 -2.160 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.494 0.145 -0.037 1.00 0.00 C ATOM 442 CZ PHE A 535 13.416 0.354 -1.044 1.00 0.00 C ATOM 0 H PHE A 535 10.228 -4.931 -2.716 1.00 0.00 H new ATOM 0 HA PHE A 535 12.160 -4.094 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 535 10.209 -2.868 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 535 9.688 -2.574 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 535 12.490 -2.117 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 535 10.855 -1.037 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 535 14.131 -0.302 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.493 0.782 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.138 1.153 -0.960 1.00 0.00 H new ATOM 452 N GLY A 536 10.103 -5.973 0.359 1.00 0.00 N ATOM 453 CA GLY A 536 9.410 -6.519 1.515 1.00 0.00 C ATOM 454 C GLY A 536 10.098 -6.158 2.821 1.00 0.00 C ATOM 455 O GLY A 536 9.719 -5.186 3.474 1.00 0.00 O ATOM 0 H GLY A 536 10.356 -6.657 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.386 -6.147 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.354 -7.604 1.424 1.00 0.00 H new ATOM 459 N PRO A 537 11.125 -6.925 3.228 1.00 0.00 N ATOM 460 CA PRO A 537 11.869 -6.672 4.464 1.00 0.00 C ATOM 461 C PRO A 537 12.835 -5.493 4.332 1.00 0.00 C ATOM 462 O PRO A 537 13.513 -5.125 5.291 1.00 0.00 O ATOM 463 CB PRO A 537 12.653 -7.976 4.700 1.00 0.00 C ATOM 464 CG PRO A 537 12.193 -8.932 3.644 1.00 0.00 C ATOM 465 CD PRO A 537 11.652 -8.096 2.521 1.00 0.00 C ATOM 0 HA PRO A 537 11.201 -6.409 5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 537 13.727 -7.804 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 537 12.459 -8.373 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 537 13.017 -9.557 3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 537 11.426 -9.602 4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 537 12.429 -7.824 1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 537 10.874 -8.618 1.963 1.00 0.00 H new ATOM 473 N ALA A 538 12.897 -4.912 3.137 1.00 0.00 N ATOM 474 CA ALA A 538 13.783 -3.783 2.875 1.00 0.00 C ATOM 475 C ALA A 538 13.384 -2.569 3.702 1.00 0.00 C ATOM 476 O ALA A 538 14.207 -1.995 4.415 1.00 0.00 O ATOM 477 CB ALA A 538 13.778 -3.440 1.392 1.00 0.00 C ATOM 0 H ALA A 538 12.342 -5.206 2.333 1.00 0.00 H new ATOM 0 HA ALA A 538 14.793 -4.071 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 538 14.443 -2.596 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 538 14.120 -4.301 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.766 -3.177 1.083 1.00 0.00 H new ATOM 483 N ALA A 539 12.116 -2.191 3.610 1.00 0.00 N ATOM 484 CA ALA A 539 11.607 -1.056 4.359 1.00 0.00 C ATOM 485 C ALA A 539 11.049 -1.524 5.689 1.00 0.00 C ATOM 486 O ALA A 539 11.249 -0.895 6.727 1.00 0.00 O ATOM 487 CB ALA A 539 10.535 -0.337 3.567 1.00 0.00 C ATOM 0 H ALA A 539 11.423 -2.656 3.023 1.00 0.00 H new ATOM 0 HA ALA A 539 12.426 -0.361 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.164 0.511 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 539 10.955 0.019 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.713 -1.023 3.361 1.00 0.00 H new ATOM 493 N GLU A 540 10.361 -2.653 5.640 1.00 0.00 N ATOM 494 CA GLU A 540 9.776 -3.255 6.827 1.00 0.00 C ATOM 495 C GLU A 540 9.072 -2.235 7.725 1.00 0.00 C ATOM 496 O GLU A 540 8.938 -2.453 8.929 1.00 0.00 O ATOM 497 CB GLU A 540 10.865 -3.983 7.604 1.00 0.00 C ATOM 498 CG GLU A 540 11.865 -3.054 8.274 1.00 0.00 C ATOM 499 CD GLU A 540 12.749 -3.772 9.275 1.00 0.00 C ATOM 500 OE1 GLU A 540 13.702 -4.453 8.843 1.00 0.00 O ATOM 501 OE2 GLU A 540 12.490 -3.651 10.490 1.00 0.00 O ATOM 0 H GLU A 540 10.193 -3.176 4.781 1.00 0.00 H new ATOM 0 HA GLU A 540 9.009 -3.958 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 540 10.399 -4.610 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 540 11.399 -4.649 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 540 12.490 -2.588 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 540 11.328 -2.252 8.780 1.00 0.00 H new ATOM 508 N GLY A 541 8.606 -1.136 7.139 1.00 0.00 N ATOM 509 CA GLY A 541 7.904 -0.131 7.921 1.00 0.00 C ATOM 510 C GLY A 541 8.404 1.287 7.716 1.00 0.00 C ATOM 511 O GLY A 541 8.101 2.172 8.516 1.00 0.00 O ATOM 0 H GLY A 541 8.700 -0.923 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.844 -0.169 7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 541 7.991 -0.385 8.978 1.00 0.00 H new ATOM 515 N ILE A 542 9.153 1.520 6.647 1.00 0.00 N ATOM 516 CA ILE A 542 9.661 2.857 6.365 1.00 0.00 C ATOM 517 C ILE A 542 8.832 3.531 5.283 1.00 0.00 C ATOM 518 O ILE A 542 8.518 4.717 5.374 1.00 0.00 O ATOM 519 CB ILE A 542 11.131 2.832 5.916 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.970 1.984 6.869 1.00 0.00 C ATOM 521 CG2 ILE A 542 11.683 4.246 5.832 1.00 0.00 C ATOM 522 CD1 ILE A 542 13.082 1.245 6.167 1.00 0.00 C ATOM 0 H ILE A 542 9.421 0.809 5.966 1.00 0.00 H new ATOM 0 HA ILE A 542 9.589 3.420 7.296 1.00 0.00 H new ATOM 0 HB ILE A 542 11.181 2.382 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 542 12.396 2.626 7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.324 1.266 7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 542 12.725 4.212 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 542 11.102 4.821 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 542 11.619 4.720 6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 542 13.645 0.659 6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 542 12.658 0.580 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.747 1.961 5.685 1.00 0.00 H new ATOM 534 N TYR A 543 8.484 2.765 4.256 1.00 0.00 N ATOM 535 CA TYR A 543 7.687 3.297 3.150 1.00 0.00 C ATOM 536 C TYR A 543 6.950 2.186 2.395 1.00 0.00 C ATOM 537 O TYR A 543 5.814 1.850 2.729 1.00 0.00 O ATOM 538 CB TYR A 543 8.563 4.114 2.181 1.00 0.00 C ATOM 539 CG TYR A 543 10.055 3.925 2.370 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.616 2.656 2.427 1.00 0.00 C ATOM 541 CD2 TYR A 543 10.900 5.022 2.487 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.976 2.485 2.597 1.00 0.00 C ATOM 543 CE2 TYR A 543 12.261 4.858 2.657 1.00 0.00 C ATOM 544 CZ TYR A 543 12.794 3.587 2.711 1.00 0.00 C ATOM 545 OH TYR A 543 14.149 3.420 2.879 1.00 0.00 O ATOM 0 H TYR A 543 8.737 1.781 4.163 1.00 0.00 H new ATOM 0 HA TYR A 543 6.938 3.959 3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 543 8.302 3.842 1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 543 8.326 5.171 2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.979 1.789 2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 543 10.486 6.019 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.396 1.491 2.640 1.00 0.00 H new ATOM 0 HE2 TYR A 543 12.905 5.721 2.747 1.00 0.00 H new ATOM 0 HH TYR A 543 14.581 4.297 2.941 1.00 0.00 H new ATOM 555 N ILE A 544 7.592 1.629 1.371 1.00 0.00 N ATOM 556 CA ILE A 544 6.985 0.573 0.568 1.00 0.00 C ATOM 557 C ILE A 544 6.787 -0.703 1.376 1.00 0.00 C ATOM 558 O ILE A 544 5.699 -1.275 1.398 1.00 0.00 O ATOM 559 CB ILE A 544 7.844 0.249 -0.666 1.00 0.00 C ATOM 560 CG1 ILE A 544 8.206 1.536 -1.408 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.110 -0.720 -1.582 1.00 0.00 C ATOM 562 CD1 ILE A 544 9.594 2.048 -1.085 1.00 0.00 C ATOM 0 H ILE A 544 8.533 1.892 1.078 1.00 0.00 H new ATOM 0 HA ILE A 544 6.013 0.947 0.247 1.00 0.00 H new ATOM 0 HB ILE A 544 8.768 -0.229 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 544 8.133 1.360 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 544 7.476 2.307 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 544 7.730 -0.940 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 544 6.901 -1.644 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.172 -0.271 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 544 9.784 2.963 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 544 9.666 2.255 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 544 10.333 1.295 -1.359 1.00 0.00 H new ATOM 574 N GLU A 545 7.850 -1.149 2.031 1.00 0.00 N ATOM 575 CA GLU A 545 7.798 -2.363 2.837 1.00 0.00 C ATOM 576 C GLU A 545 7.264 -3.535 2.017 1.00 0.00 C ATOM 577 O GLU A 545 6.668 -4.464 2.560 1.00 0.00 O ATOM 578 CB GLU A 545 6.917 -2.163 4.077 1.00 0.00 C ATOM 579 CG GLU A 545 6.688 -0.708 4.462 1.00 0.00 C ATOM 580 CD GLU A 545 5.688 -0.560 5.592 1.00 0.00 C ATOM 581 OE1 GLU A 545 5.550 -1.510 6.391 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.042 0.506 5.677 1.00 0.00 O ATOM 0 H GLU A 545 8.760 -0.689 2.021 1.00 0.00 H new ATOM 0 HA GLU A 545 8.815 -2.587 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.951 -2.635 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.375 -2.681 4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.636 -0.260 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.333 -0.156 3.592 1.00 0.00 H new ATOM 589 N GLY A 546 7.467 -3.474 0.705 1.00 0.00 N ATOM 590 CA GLY A 546 6.980 -4.526 -0.169 1.00 0.00 C ATOM 591 C GLY A 546 5.603 -4.223 -0.702 1.00 0.00 C ATOM 592 O GLY A 546 5.149 -4.844 -1.660 1.00 0.00 O ATOM 0 H GLY A 546 7.959 -2.716 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 546 7.671 -4.655 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.959 -5.470 0.376 1.00 0.00 H new ATOM 596 N LEU A 547 4.937 -3.259 -0.082 1.00 0.00 N ATOM 597 CA LEU A 547 3.606 -2.865 -0.497 1.00 0.00 C ATOM 598 C LEU A 547 3.616 -2.378 -1.943 1.00 0.00 C ATOM 599 O LEU A 547 4.384 -1.490 -2.313 1.00 0.00 O ATOM 600 CB LEU A 547 3.083 -1.765 0.425 1.00 0.00 C ATOM 601 CG LEU A 547 3.379 -0.346 -0.048 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.330 0.099 -1.055 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.456 0.608 1.132 1.00 0.00 C ATOM 0 H LEU A 547 5.302 -2.736 0.714 1.00 0.00 H new ATOM 0 HA LEU A 547 2.948 -3.731 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 547 2.004 -1.881 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 547 3.518 -1.902 1.415 1.00 0.00 H new ATOM 0 HG LEU A 547 4.350 -0.334 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.551 1.114 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.341 -0.573 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.345 0.076 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.668 1.615 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.505 0.606 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 547 4.250 0.289 1.807 1.00 0.00 H new ATOM 615 N MET A 548 2.758 -2.968 -2.752 1.00 0.00 N ATOM 616 CA MET A 548 2.653 -2.599 -4.162 1.00 0.00 C ATOM 617 C MET A 548 1.198 -2.471 -4.608 1.00 0.00 C ATOM 618 O MET A 548 0.925 -2.048 -5.731 1.00 0.00 O ATOM 619 CB MET A 548 3.351 -3.627 -5.042 1.00 0.00 C ATOM 620 CG MET A 548 4.678 -4.116 -4.486 1.00 0.00 C ATOM 621 SD MET A 548 4.720 -5.908 -4.289 1.00 0.00 S ATOM 622 CE MET A 548 3.321 -6.143 -3.194 1.00 0.00 C ATOM 0 H MET A 548 2.119 -3.708 -2.462 1.00 0.00 H new ATOM 0 HA MET A 548 3.138 -1.629 -4.271 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.689 -4.482 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.519 -3.192 -6.027 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.484 -3.807 -5.152 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.862 -3.642 -3.522 1.00 0.00 H new ATOM 0 HE1 MET A 548 3.418 -7.099 -2.680 1.00 0.00 H new ATOM 0 HE2 MET A 548 3.294 -5.338 -2.460 1.00 0.00 H new ATOM 0 HE3 MET A 548 2.399 -6.135 -3.775 1.00 0.00 H new ATOM 632 N HIS A 549 0.264 -2.830 -3.733 1.00 0.00 N ATOM 633 CA HIS A 549 -1.151 -2.739 -4.060 1.00 0.00 C ATOM 634 C HIS A 549 -1.616 -1.298 -3.952 1.00 0.00 C ATOM 635 O HIS A 549 -2.556 -0.879 -4.628 1.00 0.00 O ATOM 636 CB HIS A 549 -1.977 -3.629 -3.127 1.00 0.00 C ATOM 637 CG HIS A 549 -1.379 -4.983 -2.904 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.845 -5.380 -1.695 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.235 -6.039 -3.740 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.397 -6.618 -1.799 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.623 -7.041 -3.029 1.00 0.00 N ATOM 0 H HIS A 549 0.462 -3.185 -2.797 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.294 -3.085 -5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.089 -3.128 -2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.977 -3.747 -3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.544 -6.084 -4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.074 -7.188 -1.012 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -0.382 -7.963 -3.392 1.00 0.00 H new ATOM 650 N ASN A 550 -0.938 -0.541 -3.094 1.00 0.00 N ATOM 651 CA ASN A 550 -1.252 0.870 -2.880 1.00 0.00 C ATOM 652 C ASN A 550 -2.522 1.061 -2.044 1.00 0.00 C ATOM 653 O ASN A 550 -2.660 2.064 -1.346 1.00 0.00 O ATOM 654 CB ASN A 550 -1.399 1.600 -4.218 1.00 0.00 C ATOM 655 CG ASN A 550 -0.291 1.250 -5.194 1.00 0.00 C ATOM 656 OD1 ASN A 550 0.941 1.214 -4.701 1.00 0.00 O flip ATOM 657 ND2 ASN A 550 -0.542 1.015 -6.376 1.00 0.00 N flip ATOM 0 H ASN A 550 -0.160 -0.885 -2.530 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.419 1.298 -2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.363 1.349 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.399 2.676 -4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -1.505 1.054 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.213 0.781 -7.021 1.00 0.00 H new ATOM 664 N GLN A 551 -3.454 0.111 -2.119 1.00 0.00 N ATOM 665 CA GLN A 551 -4.698 0.204 -1.371 1.00 0.00 C ATOM 666 C GLN A 551 -5.623 1.234 -1.996 1.00 0.00 C ATOM 667 O GLN A 551 -5.259 2.396 -2.176 1.00 0.00 O ATOM 668 CB GLN A 551 -4.426 0.533 0.094 1.00 0.00 C ATOM 669 CG GLN A 551 -3.349 -0.340 0.705 1.00 0.00 C ATOM 670 CD GLN A 551 -3.313 -0.256 2.219 1.00 0.00 C ATOM 671 OE1 GLN A 551 -4.215 -0.741 2.901 1.00 0.00 O ATOM 672 NE2 GLN A 551 -2.267 0.364 2.752 1.00 0.00 N ATOM 0 H GLN A 551 -3.367 -0.729 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.194 -0.766 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.129 1.579 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.348 0.417 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.514 -1.375 0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.379 -0.045 0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -1.542 0.752 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -2.189 0.453 3.765 1.00 0.00 H new ATOM 681 N ASP A 552 -6.816 0.781 -2.340 1.00 0.00 N ATOM 682 CA ASP A 552 -7.814 1.637 -2.971 1.00 0.00 C ATOM 683 C ASP A 552 -9.227 1.081 -2.788 1.00 0.00 C ATOM 684 O ASP A 552 -9.936 0.836 -3.765 1.00 0.00 O ATOM 685 CB ASP A 552 -7.507 1.787 -4.463 1.00 0.00 C ATOM 686 CG ASP A 552 -7.842 3.171 -4.985 1.00 0.00 C ATOM 687 OD1 ASP A 552 -8.867 3.738 -4.551 1.00 0.00 O ATOM 688 OD2 ASP A 552 -7.079 3.687 -5.829 1.00 0.00 O ATOM 0 H ASP A 552 -7.122 -0.181 -2.193 1.00 0.00 H new ATOM 0 HA ASP A 552 -7.769 2.613 -2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -6.451 1.582 -4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.072 1.043 -5.024 1.00 0.00 H new ATOM 693 N GLY A 553 -9.640 0.887 -1.536 1.00 0.00 N ATOM 694 CA GLY A 553 -10.968 0.368 -1.271 1.00 0.00 C ATOM 695 C GLY A 553 -11.128 -1.081 -1.685 1.00 0.00 C ATOM 696 O GLY A 553 -12.241 -1.540 -1.939 1.00 0.00 O ATOM 0 H GLY A 553 -9.080 1.080 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.184 0.463 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.702 0.975 -1.800 1.00 0.00 H new ATOM 700 N LEU A 554 -10.016 -1.807 -1.749 1.00 0.00 N ATOM 701 CA LEU A 554 -10.045 -3.216 -2.129 1.00 0.00 C ATOM 702 C LEU A 554 -10.364 -4.095 -0.927 1.00 0.00 C ATOM 703 O LEU A 554 -10.886 -5.199 -1.070 1.00 0.00 O ATOM 704 CB LEU A 554 -8.702 -3.640 -2.721 1.00 0.00 C ATOM 705 CG LEU A 554 -8.024 -2.602 -3.612 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.650 -3.091 -4.041 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.890 -2.296 -4.824 1.00 0.00 C ATOM 0 H LEU A 554 -9.085 -1.444 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.826 -3.341 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -8.026 -3.890 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.851 -4.551 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.898 -1.682 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.179 -2.341 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.032 -3.260 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.753 -4.023 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.392 -1.554 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -9.047 -3.209 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.853 -1.905 -4.494 1.00 0.00 H new ATOM 719 N ILE A 555 -10.033 -3.597 0.259 1.00 0.00 N ATOM 720 CA ILE A 555 -10.269 -4.333 1.492 1.00 0.00 C ATOM 721 C ILE A 555 -11.619 -3.965 2.098 1.00 0.00 C ATOM 722 O ILE A 555 -12.354 -4.826 2.583 1.00 0.00 O ATOM 723 CB ILE A 555 -9.162 -4.055 2.531 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.778 -4.036 1.870 1.00 0.00 C ATOM 725 CG2 ILE A 555 -9.207 -5.099 3.631 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.825 -3.034 2.485 1.00 0.00 C ATOM 0 H ILE A 555 -9.599 -2.683 0.391 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.262 -5.393 1.237 1.00 0.00 H new ATOM 0 HB ILE A 555 -9.341 -3.072 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.339 -5.031 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.894 -3.811 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -8.422 -4.894 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -10.178 -5.065 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.053 -6.088 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.867 -3.077 1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.242 -2.031 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.678 -3.271 3.539 1.00 0.00 H new ATOM 738 N CYS A 556 -11.929 -2.675 2.074 1.00 0.00 N ATOM 739 CA CYS A 556 -13.177 -2.165 2.627 1.00 0.00 C ATOM 740 C CYS A 556 -14.372 -2.518 1.748 1.00 0.00 C ATOM 741 O CYS A 556 -15.315 -3.167 2.201 1.00 0.00 O ATOM 742 CB CYS A 556 -13.084 -0.644 2.793 1.00 0.00 C ATOM 743 SG CYS A 556 -14.229 0.072 4.029 1.00 0.00 S ATOM 0 H CYS A 556 -11.326 -1.956 1.673 1.00 0.00 H new ATOM 0 HA CYS A 556 -13.330 -2.636 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.063 -0.386 3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.277 -0.176 1.828 1.00 0.00 H new ATOM 748 N GLY A 557 -14.335 -2.076 0.496 1.00 0.00 N ATOM 749 CA GLY A 557 -15.434 -2.348 -0.412 1.00 0.00 C ATOM 750 C GLY A 557 -15.099 -3.394 -1.455 1.00 0.00 C ATOM 751 O GLY A 557 -15.992 -4.052 -1.989 1.00 0.00 O ATOM 0 H GLY A 557 -13.568 -1.537 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -16.298 -2.681 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.721 -1.423 -0.913 1.00 0.00 H new ATOM 755 N LEU A 558 -13.811 -3.560 -1.743 1.00 0.00 N ATOM 756 CA LEU A 558 -13.366 -4.544 -2.724 1.00 0.00 C ATOM 757 C LEU A 558 -13.830 -4.176 -4.128 1.00 0.00 C ATOM 758 O LEU A 558 -13.824 -5.014 -5.030 1.00 0.00 O ATOM 759 CB LEU A 558 -13.910 -5.922 -2.361 1.00 0.00 C ATOM 760 CG LEU A 558 -13.759 -6.311 -0.888 1.00 0.00 C ATOM 761 CD1 LEU A 558 -15.031 -5.987 -0.122 1.00 0.00 C ATOM 762 CD2 LEU A 558 -13.417 -7.788 -0.759 1.00 0.00 C ATOM 0 H LEU A 558 -13.057 -3.026 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 558 -12.276 -4.558 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -14.967 -5.959 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -13.403 -6.669 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.941 -5.732 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -14.908 -6.269 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -15.233 -4.918 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -15.866 -6.541 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -13.313 -8.047 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.213 -8.386 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.479 -7.991 -1.276 1.00 0.00 H new ATOM 774 N ARG A 559 -14.249 -2.930 -4.306 1.00 0.00 N ATOM 775 CA ARG A 559 -14.736 -2.474 -5.602 1.00 0.00 C ATOM 776 C ARG A 559 -14.790 -0.948 -5.684 1.00 0.00 C ATOM 777 O ARG A 559 -15.474 -0.394 -6.546 1.00 0.00 O ATOM 778 CB ARG A 559 -16.128 -3.055 -5.860 1.00 0.00 C ATOM 779 CG ARG A 559 -16.878 -3.422 -4.586 1.00 0.00 C ATOM 780 CD ARG A 559 -18.341 -3.722 -4.864 1.00 0.00 C ATOM 781 NE ARG A 559 -19.233 -2.773 -4.202 1.00 0.00 N ATOM 782 CZ ARG A 559 -19.452 -2.755 -2.889 1.00 0.00 C ATOM 783 NH1 ARG A 559 -18.849 -3.631 -2.096 1.00 0.00 N ATOM 784 NH2 ARG A 559 -20.278 -1.857 -2.368 1.00 0.00 N ATOM 0 H ARG A 559 -14.262 -2.220 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.038 -2.823 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.717 -2.331 -6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.032 -3.943 -6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.409 -4.291 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.804 -2.603 -3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -18.518 -3.695 -5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.574 -4.732 -4.528 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.716 -2.084 -4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -18.213 -4.324 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -19.021 -3.612 -1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -20.744 -1.181 -2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -20.447 -1.842 -1.362 1.00 0.00 H new ATOM 798 N GLN A 560 -14.072 -0.271 -4.792 1.00 0.00 N ATOM 799 CA GLN A 560 -14.054 1.189 -4.786 1.00 0.00 C ATOM 800 C GLN A 560 -13.358 1.728 -6.030 1.00 0.00 C ATOM 801 O GLN A 560 -12.653 0.944 -6.699 1.00 0.00 O ATOM 802 CB GLN A 560 -13.352 1.716 -3.529 1.00 0.00 C ATOM 803 CG GLN A 560 -14.093 1.437 -2.220 1.00 0.00 C ATOM 804 CD GLN A 560 -15.535 1.002 -2.425 1.00 0.00 C ATOM 805 OE1 GLN A 560 -15.725 -0.287 -2.682 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.459 1.811 -2.353 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -13.525 2.930 -6.327 1.00 0.00 O ATOM 0 H GLN A 560 -13.499 -0.706 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.087 1.535 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.359 1.271 -3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.214 2.792 -3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.562 0.661 -1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.076 2.335 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.264 2.792 -2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.421 1.501 -2.493 1.00 0.00 H new