USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=9 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 : amide:sc= -8.68! C(o=-10!,f=-15!) USER MOD Set 1.2: A 550 ASN : amide:sc= -1.29 X(o=-10,f=-10) USER MOD Single : A 508 GLN :FLIP amide:sc= 0.177 F(o=-0.38,f=0.18) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN :FLIP amide:sc= -0.955! C(o=-2.9!,f=-0.95!) USER MOD Single : A 514 ASN : amide:sc= -4.09 K(o=-4.1,f=-5.5!) USER MOD Single : A 516 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) 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 -31:sc= -3.46 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 -162:sc= -4.94! (180deg=-5.51!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 551 GLN : amide:sc= -2.56 K(o=-2.6,f=-11!) USER MOD Single : A 560 GLN :FLIP amide:sc= -0.414 F(o=-1.9,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -13.462 -10.499 0.614 1.00 0.00 N ATOM 2 CA ALA A 507 -11.992 -10.475 0.392 1.00 0.00 C ATOM 3 C ALA A 507 -11.240 -10.396 1.717 1.00 0.00 C ATOM 4 O ALA A 507 -10.397 -11.242 2.013 1.00 0.00 O ATOM 5 CB ALA A 507 -11.612 -9.304 -0.501 1.00 0.00 C ATOM 0 HA ALA A 507 -11.709 -11.403 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -10.533 -9.299 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -12.115 -9.402 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -11.915 -8.371 -0.026 1.00 0.00 H new ATOM 13 N GLN A 508 -11.551 -9.374 2.508 1.00 0.00 N ATOM 14 CA GLN A 508 -10.903 -9.183 3.802 1.00 0.00 C ATOM 15 C GLN A 508 -11.458 -7.948 4.511 1.00 0.00 C ATOM 16 O GLN A 508 -11.474 -6.854 3.946 1.00 0.00 O ATOM 17 CB GLN A 508 -9.391 -9.046 3.626 1.00 0.00 C ATOM 18 CG GLN A 508 -8.990 -8.142 2.471 1.00 0.00 C ATOM 19 CD GLN A 508 -7.787 -8.668 1.712 1.00 0.00 C ATOM 20 OE1 GLN A 508 -6.778 -7.821 1.538 1.00 0.00 O flip ATOM 21 NE2 GLN A 508 -7.764 -9.823 1.287 1.00 0.00 N flip ATOM 0 H GLN A 508 -12.247 -8.665 2.276 1.00 0.00 H new ATOM 0 HA GLN A 508 -11.111 -10.059 4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.961 -8.655 4.548 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.961 -10.035 3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.831 -8.039 1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.767 -7.146 2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -8.561 -10.440 1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -6.948 -10.163 0.779 1.00 0.00 H new ATOM 30 N PRO A 509 -11.935 -8.107 5.759 1.00 0.00 N ATOM 31 CA PRO A 509 -12.505 -7.016 6.543 1.00 0.00 C ATOM 32 C PRO A 509 -11.482 -6.343 7.452 1.00 0.00 C ATOM 33 O PRO A 509 -11.000 -6.937 8.416 1.00 0.00 O ATOM 34 CB PRO A 509 -13.526 -7.761 7.379 1.00 0.00 C ATOM 35 CG PRO A 509 -12.795 -9.001 7.740 1.00 0.00 C ATOM 36 CD PRO A 509 -11.982 -9.372 6.519 1.00 0.00 C ATOM 0 HA PRO A 509 -12.897 -6.208 5.925 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.823 -7.193 8.260 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.435 -7.974 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.151 -8.837 8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.488 -9.800 8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -10.984 -9.719 6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -12.454 -10.170 5.946 1.00 0.00 H new ATOM 44 N LYS A 510 -11.166 -5.102 7.139 1.00 0.00 N ATOM 45 CA LYS A 510 -10.206 -4.324 7.924 1.00 0.00 C ATOM 46 C LYS A 510 -10.517 -2.835 7.847 1.00 0.00 C ATOM 47 O LYS A 510 -10.591 -2.145 8.864 1.00 0.00 O ATOM 48 CB LYS A 510 -8.781 -4.589 7.437 1.00 0.00 C ATOM 49 CG LYS A 510 -8.103 -5.744 8.152 1.00 0.00 C ATOM 50 CD LYS A 510 -7.065 -6.413 7.267 1.00 0.00 C ATOM 51 CE LYS A 510 -7.624 -7.649 6.580 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.751 -8.840 6.781 1.00 0.00 N ATOM 0 H LYS A 510 -11.559 -4.601 6.342 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.289 -4.638 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.804 -4.797 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.185 -3.687 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.627 -5.381 9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.852 -6.476 8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.717 -5.705 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.199 -6.691 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.621 -7.860 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.732 -7.454 5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.167 -9.661 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -5.807 -8.649 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.669 -9.042 7.798 1.00 0.00 H new ATOM 66 N CYS A 511 -10.701 -2.363 6.627 1.00 0.00 N ATOM 67 CA CYS A 511 -11.019 -0.963 6.353 1.00 0.00 C ATOM 68 C CYS A 511 -9.801 -0.064 6.469 1.00 0.00 C ATOM 69 O CYS A 511 -9.873 1.038 7.013 1.00 0.00 O ATOM 70 CB CYS A 511 -12.156 -0.462 7.248 1.00 0.00 C ATOM 71 SG CYS A 511 -13.754 -0.300 6.383 1.00 0.00 S ATOM 0 H CYS A 511 -10.635 -2.940 5.789 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.357 -0.916 5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.275 -1.148 8.087 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.879 0.506 7.665 1.00 0.00 H new ATOM 76 N ASN A 512 -8.693 -0.525 5.912 1.00 0.00 N ATOM 77 CA ASN A 512 -7.467 0.253 5.908 1.00 0.00 C ATOM 78 C ASN A 512 -6.839 0.275 4.508 1.00 0.00 C ATOM 79 O ASN A 512 -5.616 0.224 4.371 1.00 0.00 O ATOM 80 CB ASN A 512 -6.469 -0.304 6.928 1.00 0.00 C ATOM 81 CG ASN A 512 -5.172 0.493 6.994 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.190 1.733 6.507 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -4.158 -0.004 7.485 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.618 -1.435 5.457 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.717 1.276 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.933 -0.313 7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.240 -1.339 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.182 -0.957 7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -3.294 0.537 7.529 1.00 0.00 H new ATOM 90 N PRO A 513 -7.665 0.342 3.439 1.00 0.00 N ATOM 91 CA PRO A 513 -7.168 0.361 2.063 1.00 0.00 C ATOM 92 C PRO A 513 -6.793 1.768 1.578 1.00 0.00 C ATOM 93 O PRO A 513 -5.734 2.286 1.934 1.00 0.00 O ATOM 94 CB PRO A 513 -8.358 -0.193 1.287 1.00 0.00 C ATOM 95 CG PRO A 513 -9.539 0.350 2.017 1.00 0.00 C ATOM 96 CD PRO A 513 -9.144 0.394 3.473 1.00 0.00 C ATOM 0 HA PRO A 513 -6.246 -0.208 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.345 0.133 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.359 -1.283 1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.799 1.344 1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.414 -0.283 1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.501 1.303 3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.561 -0.447 4.026 1.00 0.00 H new ATOM 104 N ASN A 514 -7.649 2.379 0.751 1.00 0.00 N ATOM 105 CA ASN A 514 -7.380 3.705 0.215 1.00 0.00 C ATOM 106 C ASN A 514 -7.695 4.808 1.225 1.00 0.00 C ATOM 107 O ASN A 514 -7.620 5.992 0.903 1.00 0.00 O ATOM 108 CB ASN A 514 -8.180 3.920 -1.073 1.00 0.00 C ATOM 109 CG ASN A 514 -9.656 4.170 -0.821 1.00 0.00 C ATOM 110 OD1 ASN A 514 -10.029 5.102 -0.108 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.508 3.338 -1.408 1.00 0.00 N ATOM 0 H ASN A 514 -8.532 1.971 0.442 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.314 3.762 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.762 4.767 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.070 3.045 -1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.512 3.459 -1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.158 2.578 -1.991 1.00 0.00 H new ATOM 118 N LEU A 515 -8.040 4.420 2.447 1.00 0.00 N ATOM 119 CA LEU A 515 -8.350 5.390 3.486 1.00 0.00 C ATOM 120 C LEU A 515 -7.149 5.569 4.407 1.00 0.00 C ATOM 121 O LEU A 515 -7.285 5.672 5.626 1.00 0.00 O ATOM 122 CB LEU A 515 -9.583 4.942 4.270 1.00 0.00 C ATOM 123 CG LEU A 515 -10.851 4.781 3.422 1.00 0.00 C ATOM 124 CD1 LEU A 515 -11.037 5.988 2.513 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.789 3.498 2.601 1.00 0.00 C ATOM 0 H LEU A 515 -8.111 3.446 2.740 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.572 6.353 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.363 3.992 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.779 5.667 5.060 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.708 4.716 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.941 5.859 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.127 6.889 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.176 6.081 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.698 3.402 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.924 3.531 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.701 2.642 3.270 1.00 0.00 H new ATOM 137 N HIS A 516 -5.968 5.603 3.792 1.00 0.00 N ATOM 138 CA HIS A 516 -4.711 5.767 4.510 1.00 0.00 C ATOM 139 C HIS A 516 -3.535 5.678 3.541 1.00 0.00 C ATOM 140 O HIS A 516 -2.510 6.332 3.729 1.00 0.00 O ATOM 141 CB HIS A 516 -4.565 4.701 5.600 1.00 0.00 C ATOM 142 CG HIS A 516 -3.870 5.196 6.830 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.278 4.873 8.108 1.00 0.00 N ATOM 144 CD2 HIS A 516 -2.786 5.995 6.975 1.00 0.00 C ATOM 145 CE1 HIS A 516 -3.475 5.452 8.984 1.00 0.00 C ATOM 146 NE2 HIS A 516 -2.562 6.137 8.322 1.00 0.00 N ATOM 0 H HIS A 516 -5.859 5.517 2.782 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.714 6.750 4.982 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.554 4.335 5.874 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -4.012 3.853 5.196 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.206 6.438 6.179 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -3.553 5.377 10.059 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -1.811 6.684 8.743 1.00 0.00 H new ATOM 155 N TYR A 517 -3.700 4.857 2.503 1.00 0.00 N ATOM 156 CA TYR A 517 -2.669 4.655 1.481 1.00 0.00 C ATOM 157 C TYR A 517 -1.943 5.960 1.136 1.00 0.00 C ATOM 158 O TYR A 517 -0.719 5.985 1.004 1.00 0.00 O ATOM 159 CB TYR A 517 -3.304 4.042 0.224 1.00 0.00 C ATOM 160 CG TYR A 517 -4.025 5.038 -0.665 1.00 0.00 C ATOM 161 CD1 TYR A 517 -5.112 5.763 -0.189 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.624 5.248 -1.978 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.776 6.668 -0.995 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.283 6.151 -2.791 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.359 6.858 -2.295 1.00 0.00 C ATOM 166 OH TYR A 517 -6.018 7.758 -3.101 1.00 0.00 O ATOM 0 H TYR A 517 -4.549 4.314 2.346 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.922 3.970 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.525 3.551 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -4.009 3.269 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.443 5.616 0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.783 4.696 -2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.617 7.224 -0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.957 6.302 -3.810 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.598 7.773 -3.986 1.00 0.00 H new ATOM 176 N TRP A 518 -2.708 7.037 1.003 1.00 0.00 N ATOM 177 CA TRP A 518 -2.155 8.350 0.685 1.00 0.00 C ATOM 178 C TRP A 518 -1.263 8.845 1.815 1.00 0.00 C ATOM 179 O TRP A 518 -1.679 9.659 2.639 1.00 0.00 O ATOM 180 CB TRP A 518 -3.293 9.345 0.456 1.00 0.00 C ATOM 181 CG TRP A 518 -4.382 9.224 1.479 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.259 8.731 2.746 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.756 9.588 1.321 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.471 8.767 3.387 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.408 9.292 2.534 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.498 10.138 0.275 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.766 9.528 2.726 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.846 10.372 0.466 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.469 10.069 1.684 1.00 0.00 C ATOM 0 H TRP A 518 -3.722 7.027 1.111 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.555 8.265 -0.221 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.893 10.359 0.475 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.714 9.187 -0.537 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.340 8.366 3.181 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.647 8.454 4.342 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -6.027 10.376 -0.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.248 9.293 3.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.430 10.796 -0.338 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.524 10.266 1.803 1.00 0.00 H new ATOM 200 N THR A 519 -0.039 8.341 1.857 1.00 0.00 N ATOM 201 CA THR A 519 0.903 8.725 2.898 1.00 0.00 C ATOM 202 C THR A 519 2.309 8.266 2.547 1.00 0.00 C ATOM 203 O THR A 519 3.240 9.066 2.470 1.00 0.00 O ATOM 204 CB THR A 519 0.465 8.114 4.225 1.00 0.00 C ATOM 205 OG1 THR A 519 1.457 8.295 5.219 1.00 0.00 O ATOM 206 CG2 THR A 519 0.163 6.633 4.134 1.00 0.00 C ATOM 0 H THR A 519 0.325 7.667 1.184 1.00 0.00 H new ATOM 0 HA THR A 519 0.914 9.812 2.984 1.00 0.00 H new ATOM 0 HB THR A 519 -0.453 8.638 4.491 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.153 7.896 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.142 6.263 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.641 6.469 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.055 6.099 3.807 1.00 0.00 H new ATOM 214 N THR A 520 2.442 6.971 2.317 1.00 0.00 N ATOM 215 CA THR A 520 3.717 6.379 1.951 1.00 0.00 C ATOM 216 C THR A 520 3.599 5.686 0.600 1.00 0.00 C ATOM 217 O THR A 520 4.596 5.250 0.023 1.00 0.00 O ATOM 218 CB THR A 520 4.177 5.386 3.021 1.00 0.00 C ATOM 219 OG1 THR A 520 5.486 4.926 2.743 1.00 0.00 O ATOM 220 CG2 THR A 520 3.282 4.171 3.144 1.00 0.00 C ATOM 0 H THR A 520 1.673 6.303 2.378 1.00 0.00 H new ATOM 0 HA THR A 520 4.462 7.171 1.878 1.00 0.00 H new ATOM 0 HB THR A 520 4.139 5.938 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.629 4.912 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.669 3.511 3.921 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.273 4.488 3.406 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.259 3.638 2.193 1.00 0.00 H new ATOM 228 N GLN A 521 2.368 5.594 0.096 1.00 0.00 N ATOM 229 CA GLN A 521 2.114 4.965 -1.185 1.00 0.00 C ATOM 230 C GLN A 521 1.943 6.027 -2.278 1.00 0.00 C ATOM 231 O GLN A 521 2.159 5.767 -3.461 1.00 0.00 O ATOM 232 CB GLN A 521 0.888 4.040 -1.087 1.00 0.00 C ATOM 233 CG GLN A 521 -0.396 4.609 -1.673 1.00 0.00 C ATOM 234 CD GLN A 521 -0.359 4.742 -3.181 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.153 3.766 -3.902 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.556 5.962 -3.662 1.00 0.00 N ATOM 0 H GLN A 521 1.534 5.950 0.563 1.00 0.00 H new ATOM 0 HA GLN A 521 2.971 4.350 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.117 3.103 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.716 3.800 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.231 3.967 -1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.585 5.588 -1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.723 6.741 -3.025 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.540 6.122 -4.669 1.00 0.00 H new ATOM 245 N ASP A 522 1.570 7.228 -1.864 1.00 0.00 N ATOM 246 CA ASP A 522 1.388 8.343 -2.790 1.00 0.00 C ATOM 247 C ASP A 522 2.490 9.379 -2.595 1.00 0.00 C ATOM 248 O ASP A 522 2.504 10.429 -3.237 1.00 0.00 O ATOM 249 CB ASP A 522 0.017 8.988 -2.591 1.00 0.00 C ATOM 250 CG ASP A 522 -0.730 9.171 -3.899 1.00 0.00 C ATOM 251 OD1 ASP A 522 -0.199 9.863 -4.793 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.845 8.622 -4.028 1.00 0.00 O ATOM 0 H ASP A 522 1.386 7.460 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 522 1.445 7.957 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.578 8.370 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.141 9.957 -2.107 1.00 0.00 H new ATOM 257 N GLU A 523 3.410 9.056 -1.700 1.00 0.00 N ATOM 258 CA GLU A 523 4.542 9.917 -1.382 1.00 0.00 C ATOM 259 C GLU A 523 5.799 9.074 -1.232 1.00 0.00 C ATOM 260 O GLU A 523 6.916 9.551 -1.429 1.00 0.00 O ATOM 261 CB GLU A 523 4.265 10.697 -0.098 1.00 0.00 C ATOM 262 CG GLU A 523 2.793 11.000 0.101 1.00 0.00 C ATOM 263 CD GLU A 523 2.554 12.221 0.968 1.00 0.00 C ATOM 264 OE1 GLU A 523 2.687 12.107 2.205 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.235 13.291 0.409 1.00 0.00 O ATOM 0 H GLU A 523 3.394 8.185 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 523 4.690 10.630 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 523 4.632 10.126 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 523 4.824 11.633 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.324 11.153 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.308 10.137 0.556 1.00 0.00 H new ATOM 272 N GLY A 524 5.596 7.805 -0.902 1.00 0.00 N ATOM 273 CA GLY A 524 6.693 6.881 -0.752 1.00 0.00 C ATOM 274 C GLY A 524 6.666 5.822 -1.837 1.00 0.00 C ATOM 275 O GLY A 524 7.701 5.247 -2.177 1.00 0.00 O ATOM 0 H GLY A 524 4.675 7.399 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.638 7.423 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.640 6.405 0.227 1.00 0.00 H new ATOM 279 N ALA A 525 5.477 5.574 -2.391 1.00 0.00 N ATOM 280 CA ALA A 525 5.322 4.586 -3.454 1.00 0.00 C ATOM 281 C ALA A 525 5.095 5.261 -4.801 1.00 0.00 C ATOM 282 O ALA A 525 4.583 4.654 -5.741 1.00 0.00 O ATOM 283 CB ALA A 525 4.185 3.629 -3.128 1.00 0.00 C ATOM 0 H ALA A 525 4.613 6.043 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 525 6.246 4.012 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 525 4.083 2.899 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.401 3.112 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.256 4.189 -3.027 1.00 0.00 H new ATOM 289 N ALA A 526 5.490 6.523 -4.875 1.00 0.00 N ATOM 290 CA ALA A 526 5.350 7.313 -6.095 1.00 0.00 C ATOM 291 C ALA A 526 6.609 8.132 -6.382 1.00 0.00 C ATOM 292 O ALA A 526 6.696 8.819 -7.401 1.00 0.00 O ATOM 293 CB ALA A 526 4.152 8.236 -5.983 1.00 0.00 C ATOM 0 H ALA A 526 5.915 7.029 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 526 5.202 6.620 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.056 8.821 -6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.249 7.644 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.288 8.908 -5.136 1.00 0.00 H new ATOM 299 N ILE A 527 7.569 8.067 -5.471 1.00 0.00 N ATOM 300 CA ILE A 527 8.813 8.808 -5.602 1.00 0.00 C ATOM 301 C ILE A 527 9.965 8.050 -4.941 1.00 0.00 C ATOM 302 O ILE A 527 11.099 8.085 -5.418 1.00 0.00 O ATOM 303 CB ILE A 527 8.696 10.206 -4.960 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.545 10.236 -3.939 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.513 11.273 -6.033 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.218 10.712 -4.497 1.00 0.00 C ATOM 0 H ILE A 527 7.507 7.502 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 527 9.015 8.921 -6.667 1.00 0.00 H new ATOM 0 HB ILE A 527 9.621 10.424 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.414 9.234 -3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.829 10.884 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.432 12.253 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.371 11.263 -6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.605 11.067 -6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.466 10.700 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.327 11.727 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.905 10.051 -5.306 1.00 0.00 H new ATOM 318 N GLY A 528 9.664 7.372 -3.834 1.00 0.00 N ATOM 319 CA GLY A 528 10.676 6.621 -3.119 1.00 0.00 C ATOM 320 C GLY A 528 11.188 5.426 -3.897 1.00 0.00 C ATOM 321 O GLY A 528 11.649 5.567 -5.030 1.00 0.00 O ATOM 0 H GLY A 528 8.732 7.332 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.512 7.280 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.264 6.280 -2.169 1.00 0.00 H new ATOM 325 N LEU A 529 11.132 4.249 -3.278 1.00 0.00 N ATOM 326 CA LEU A 529 11.622 3.031 -3.911 1.00 0.00 C ATOM 327 C LEU A 529 10.611 1.881 -3.837 1.00 0.00 C ATOM 328 O LEU A 529 10.777 0.947 -3.051 1.00 0.00 O ATOM 329 CB LEU A 529 12.931 2.611 -3.243 1.00 0.00 C ATOM 330 CG LEU A 529 14.152 3.465 -3.591 1.00 0.00 C ATOM 331 CD1 LEU A 529 15.423 2.807 -3.075 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.239 3.694 -5.092 1.00 0.00 C ATOM 0 H LEU A 529 10.753 4.115 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 529 11.782 3.248 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.790 2.633 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 529 13.143 1.577 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 529 14.043 4.435 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 529 16.283 3.426 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 529 15.363 2.698 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 529 15.535 1.824 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.114 4.303 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 529 14.324 2.734 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 529 13.341 4.208 -5.434 1.00 0.00 H new ATOM 344 N ALA A 530 9.581 1.942 -4.678 1.00 0.00 N ATOM 345 CA ALA A 530 8.560 0.893 -4.732 1.00 0.00 C ATOM 346 C ALA A 530 8.724 0.069 -6.006 1.00 0.00 C ATOM 347 O ALA A 530 8.428 -1.125 -6.046 1.00 0.00 O ATOM 348 CB ALA A 530 7.168 1.505 -4.677 1.00 0.00 C ATOM 0 H ALA A 530 9.429 2.708 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 530 8.685 0.238 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 530 6.420 0.713 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 530 7.053 2.065 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 530 7.032 2.177 -5.525 1.00 0.00 H new ATOM 354 N TRP A 531 9.216 0.741 -7.038 1.00 0.00 N ATOM 355 CA TRP A 531 9.465 0.141 -8.350 1.00 0.00 C ATOM 356 C TRP A 531 10.673 -0.793 -8.308 1.00 0.00 C ATOM 357 O TRP A 531 10.980 -1.470 -9.288 1.00 0.00 O ATOM 358 CB TRP A 531 9.736 1.262 -9.361 1.00 0.00 C ATOM 359 CG TRP A 531 10.288 2.483 -8.699 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.483 2.588 -8.053 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.641 3.751 -8.567 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.623 3.844 -7.522 1.00 0.00 N ATOM 363 CE2 TRP A 531 10.505 4.584 -7.832 1.00 0.00 C ATOM 364 CE3 TRP A 531 8.416 4.263 -9.002 1.00 0.00 C ATOM 365 CZ2 TRP A 531 10.179 5.903 -7.522 1.00 0.00 C ATOM 366 CZ3 TRP A 531 8.093 5.570 -8.694 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.970 6.378 -7.961 1.00 0.00 C ATOM 0 H TRP A 531 9.458 1.731 -6.991 1.00 0.00 H new ATOM 0 HA TRP A 531 8.590 -0.440 -8.640 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.438 0.909 -10.116 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.811 1.516 -9.879 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.214 1.797 -7.971 1.00 0.00 H new ATOM 0 HE1 TRP A 531 12.424 4.176 -6.985 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.734 3.647 -9.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.854 6.528 -6.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 7.148 5.975 -9.024 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.689 7.396 -7.737 1.00 0.00 H new ATOM 378 N ILE A 532 11.377 -0.785 -7.179 1.00 0.00 N ATOM 379 CA ILE A 532 12.573 -1.587 -7.002 1.00 0.00 C ATOM 380 C ILE A 532 12.350 -2.731 -6.008 1.00 0.00 C ATOM 381 O ILE A 532 12.667 -2.603 -4.826 1.00 0.00 O ATOM 382 CB ILE A 532 13.696 -0.673 -6.495 1.00 0.00 C ATOM 383 CG1 ILE A 532 15.001 -1.428 -6.284 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.271 0.016 -5.210 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.196 -0.510 -6.355 1.00 0.00 C ATOM 0 H ILE A 532 11.131 -0.221 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 532 12.839 -2.036 -7.959 1.00 0.00 H new ATOM 0 HB ILE A 532 13.878 0.077 -7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.981 -1.925 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 532 15.096 -2.208 -7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.076 0.662 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.380 0.615 -5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 532 13.051 -0.734 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 532 17.108 -1.087 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.231 -0.033 -7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.114 0.254 -5.582 1.00 0.00 H new ATOM 397 N PRO A 533 11.804 -3.871 -6.474 1.00 0.00 N ATOM 398 CA PRO A 533 11.549 -5.033 -5.615 1.00 0.00 C ATOM 399 C PRO A 533 12.833 -5.580 -4.999 1.00 0.00 C ATOM 400 O PRO A 533 13.387 -6.573 -5.469 1.00 0.00 O ATOM 401 CB PRO A 533 10.929 -6.067 -6.562 1.00 0.00 C ATOM 402 CG PRO A 533 10.458 -5.287 -7.741 1.00 0.00 C ATOM 403 CD PRO A 533 11.396 -4.120 -7.866 1.00 0.00 C ATOM 0 HA PRO A 533 10.905 -4.779 -4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 533 11.660 -6.820 -6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.103 -6.594 -6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 533 10.472 -5.898 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.431 -4.949 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.250 -4.355 -8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.903 -3.252 -8.303 1.00 0.00 H new ATOM 411 N TYR A 534 13.305 -4.920 -3.947 1.00 0.00 N ATOM 412 CA TYR A 534 14.526 -5.332 -3.270 1.00 0.00 C ATOM 413 C TYR A 534 14.209 -6.067 -1.970 1.00 0.00 C ATOM 414 O TYR A 534 14.632 -7.206 -1.772 1.00 0.00 O ATOM 415 CB TYR A 534 15.397 -4.105 -2.988 1.00 0.00 C ATOM 416 CG TYR A 534 16.685 -4.411 -2.258 1.00 0.00 C ATOM 417 CD1 TYR A 534 17.242 -5.683 -2.284 1.00 0.00 C ATOM 418 CD2 TYR A 534 17.342 -3.422 -1.540 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.419 -5.960 -1.616 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.519 -3.689 -0.868 1.00 0.00 C ATOM 421 CZ TYR A 534 19.054 -4.960 -0.909 1.00 0.00 C ATOM 422 OH TYR A 534 20.226 -5.231 -0.241 1.00 0.00 O ATOM 0 H TYR A 534 12.858 -4.096 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 534 15.069 -6.018 -3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 534 15.636 -3.618 -3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.820 -3.392 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.747 -6.468 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.926 -2.426 -1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.840 -6.954 -1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 534 19.017 -2.907 -0.314 1.00 0.00 H new ATOM 0 HH TYR A 534 20.544 -4.418 0.205 1.00 0.00 H new ATOM 432 N PHE A 535 13.459 -5.413 -1.090 1.00 0.00 N ATOM 433 CA PHE A 535 13.082 -6.009 0.190 1.00 0.00 C ATOM 434 C PHE A 535 11.565 -6.095 0.325 1.00 0.00 C ATOM 435 O PHE A 535 11.031 -7.087 0.822 1.00 0.00 O ATOM 436 CB PHE A 535 13.668 -5.208 1.357 1.00 0.00 C ATOM 437 CG PHE A 535 13.699 -3.722 1.124 1.00 0.00 C ATOM 438 CD1 PHE A 535 14.555 -3.174 0.182 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.876 -2.877 1.849 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.589 -1.810 -0.035 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.906 -1.511 1.638 1.00 0.00 C ATOM 442 CZ PHE A 535 13.762 -0.978 0.696 1.00 0.00 C ATOM 0 H PHE A 535 13.099 -4.470 -1.238 1.00 0.00 H new ATOM 0 HA PHE A 535 13.491 -7.019 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 535 13.084 -5.413 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.683 -5.556 1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 535 15.204 -3.821 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 535 12.204 -3.289 2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 535 15.259 -1.395 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.260 -0.862 2.210 1.00 0.00 H new ATOM 0 HZ PHE A 535 13.786 0.089 0.530 1.00 0.00 H new ATOM 452 N GLY A 536 10.876 -5.050 -0.122 1.00 0.00 N ATOM 453 CA GLY A 536 9.426 -5.023 -0.044 1.00 0.00 C ATOM 454 C GLY A 536 8.904 -5.311 1.355 1.00 0.00 C ATOM 455 O GLY A 536 9.159 -4.543 2.282 1.00 0.00 O ATOM 0 H GLY A 536 11.297 -4.219 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 536 9.068 -4.045 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.016 -5.757 -0.738 1.00 0.00 H new ATOM 459 N PRO A 537 8.164 -6.421 1.542 1.00 0.00 N ATOM 460 CA PRO A 537 7.612 -6.797 2.850 1.00 0.00 C ATOM 461 C PRO A 537 8.674 -7.336 3.808 1.00 0.00 C ATOM 462 O PRO A 537 8.379 -7.653 4.960 1.00 0.00 O ATOM 463 CB PRO A 537 6.604 -7.892 2.503 1.00 0.00 C ATOM 464 CG PRO A 537 7.138 -8.510 1.259 1.00 0.00 C ATOM 465 CD PRO A 537 7.806 -7.399 0.494 1.00 0.00 C ATOM 0 HA PRO A 537 7.179 -5.941 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 537 6.521 -8.624 3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 537 5.608 -7.479 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 537 7.847 -9.304 1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 537 6.337 -8.960 0.673 1.00 0.00 H new ATOM 0 HD2 PRO A 537 8.687 -7.754 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.136 -6.964 -0.248 1.00 0.00 H new ATOM 473 N ALA A 538 9.908 -7.436 3.325 1.00 0.00 N ATOM 474 CA ALA A 538 11.013 -7.934 4.136 1.00 0.00 C ATOM 475 C ALA A 538 11.377 -6.924 5.211 1.00 0.00 C ATOM 476 O ALA A 538 11.769 -7.288 6.319 1.00 0.00 O ATOM 477 CB ALA A 538 12.219 -8.241 3.261 1.00 0.00 C ATOM 0 H ALA A 538 10.168 -7.178 2.373 1.00 0.00 H new ATOM 0 HA ALA A 538 10.698 -8.857 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 538 13.034 -8.612 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 538 11.951 -8.999 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.537 -7.333 2.748 1.00 0.00 H new ATOM 483 N ALA A 539 11.223 -5.650 4.876 1.00 0.00 N ATOM 484 CA ALA A 539 11.509 -4.574 5.808 1.00 0.00 C ATOM 485 C ALA A 539 10.224 -4.140 6.484 1.00 0.00 C ATOM 486 O ALA A 539 10.180 -3.927 7.696 1.00 0.00 O ATOM 487 CB ALA A 539 12.138 -3.401 5.079 1.00 0.00 C ATOM 0 H ALA A 539 10.900 -5.338 3.960 1.00 0.00 H new ATOM 0 HA ALA A 539 12.212 -4.929 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 539 12.347 -2.601 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 539 13.068 -3.721 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.451 -3.037 4.315 1.00 0.00 H new ATOM 493 N GLU A 540 9.174 -4.036 5.673 1.00 0.00 N ATOM 494 CA GLU A 540 7.843 -3.653 6.136 1.00 0.00 C ATOM 495 C GLU A 540 7.888 -2.680 7.321 1.00 0.00 C ATOM 496 O GLU A 540 8.012 -3.090 8.474 1.00 0.00 O ATOM 497 CB GLU A 540 7.055 -4.913 6.495 1.00 0.00 C ATOM 498 CG GLU A 540 7.521 -5.596 7.772 1.00 0.00 C ATOM 499 CD GLU A 540 7.156 -7.068 7.815 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.683 -7.593 6.785 1.00 0.00 O ATOM 501 OE2 GLU A 540 7.345 -7.695 8.879 1.00 0.00 O ATOM 0 H GLU A 540 9.223 -4.216 4.670 1.00 0.00 H new ATOM 0 HA GLU A 540 7.344 -3.122 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.002 -4.652 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 540 7.128 -5.621 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 540 8.602 -5.491 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 540 7.080 -5.091 8.631 1.00 0.00 H new ATOM 508 N GLY A 541 7.776 -1.386 7.025 1.00 0.00 N ATOM 509 CA GLY A 541 7.796 -0.384 8.073 1.00 0.00 C ATOM 510 C GLY A 541 8.546 0.879 7.690 1.00 0.00 C ATOM 511 O GLY A 541 8.503 1.871 8.418 1.00 0.00 O ATOM 0 H GLY A 541 7.672 -1.017 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.771 -0.123 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 541 8.253 -0.812 8.965 1.00 0.00 H new ATOM 515 N ILE A 542 9.231 0.856 6.551 1.00 0.00 N ATOM 516 CA ILE A 542 9.979 2.023 6.099 1.00 0.00 C ATOM 517 C ILE A 542 9.089 2.950 5.285 1.00 0.00 C ATOM 518 O ILE A 542 9.165 4.172 5.410 1.00 0.00 O ATOM 519 CB ILE A 542 11.196 1.641 5.235 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.885 0.386 5.772 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.179 2.799 5.170 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.509 -0.453 4.680 1.00 0.00 C ATOM 0 H ILE A 542 9.284 0.049 5.929 1.00 0.00 H new ATOM 0 HA ILE A 542 10.332 2.526 6.999 1.00 0.00 H new ATOM 0 HB ILE A 542 10.840 1.422 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 542 12.656 0.677 6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.158 -0.217 6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.034 2.516 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 542 11.689 3.668 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.519 3.044 6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.983 -1.330 5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.737 -0.771 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.258 0.137 4.151 1.00 0.00 H new ATOM 534 N TYR A 543 8.242 2.359 4.446 1.00 0.00 N ATOM 535 CA TYR A 543 7.335 3.134 3.605 1.00 0.00 C ATOM 536 C TYR A 543 6.511 2.227 2.683 1.00 0.00 C ATOM 537 O TYR A 543 5.491 1.676 3.099 1.00 0.00 O ATOM 538 CB TYR A 543 8.108 4.182 2.784 1.00 0.00 C ATOM 539 CG TYR A 543 9.540 3.803 2.456 1.00 0.00 C ATOM 540 CD1 TYR A 543 9.900 2.481 2.212 1.00 0.00 C ATOM 541 CD2 TYR A 543 10.532 4.774 2.387 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.205 2.142 1.909 1.00 0.00 C ATOM 543 CE2 TYR A 543 11.838 4.441 2.083 1.00 0.00 C ATOM 544 CZ TYR A 543 12.169 3.123 1.845 1.00 0.00 C ATOM 545 OH TYR A 543 13.469 2.789 1.543 1.00 0.00 O ATOM 0 H TYR A 543 8.165 1.348 4.331 1.00 0.00 H new ATOM 0 HA TYR A 543 6.642 3.656 4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 543 7.572 4.361 1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 543 8.113 5.123 3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.148 1.708 2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 543 10.278 5.807 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.468 1.111 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 543 12.596 5.209 2.032 1.00 0.00 H new ATOM 0 HH TYR A 543 14.022 3.598 1.537 1.00 0.00 H new ATOM 555 N ILE A 544 6.946 2.082 1.431 1.00 0.00 N ATOM 556 CA ILE A 544 6.235 1.250 0.462 1.00 0.00 C ATOM 557 C ILE A 544 6.191 -0.204 0.912 1.00 0.00 C ATOM 558 O ILE A 544 5.137 -0.722 1.269 1.00 0.00 O ATOM 559 CB ILE A 544 6.882 1.323 -0.936 1.00 0.00 C ATOM 560 CG1 ILE A 544 7.417 2.732 -1.206 1.00 0.00 C ATOM 561 CG2 ILE A 544 5.877 0.917 -2.004 1.00 0.00 C ATOM 562 CD1 ILE A 544 8.913 2.852 -1.023 1.00 0.00 C ATOM 0 H ILE A 544 7.786 2.530 1.065 1.00 0.00 H new ATOM 0 HA ILE A 544 5.220 1.642 0.402 1.00 0.00 H new ATOM 0 HB ILE A 544 7.721 0.627 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 544 7.159 3.022 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 544 6.919 3.436 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 544 6.347 0.973 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 544 5.543 -0.104 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 544 5.021 1.591 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 544 9.224 3.876 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 544 9.176 2.594 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 544 9.419 2.173 -1.709 1.00 0.00 H new ATOM 574 N GLU A 545 7.345 -0.855 0.902 1.00 0.00 N ATOM 575 CA GLU A 545 7.444 -2.251 1.322 1.00 0.00 C ATOM 576 C GLU A 545 6.873 -3.195 0.259 1.00 0.00 C ATOM 577 O GLU A 545 7.172 -3.054 -0.928 1.00 0.00 O ATOM 578 CB GLU A 545 6.736 -2.440 2.669 1.00 0.00 C ATOM 579 CG GLU A 545 7.033 -1.330 3.664 1.00 0.00 C ATOM 580 CD GLU A 545 8.522 -1.088 3.833 1.00 0.00 C ATOM 581 OE1 GLU A 545 9.112 -0.397 2.976 1.00 0.00 O ATOM 582 OE2 GLU A 545 9.098 -1.593 4.820 1.00 0.00 O ATOM 0 H GLU A 545 8.229 -0.441 0.608 1.00 0.00 H new ATOM 0 HA GLU A 545 8.498 -2.503 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.660 -2.491 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.037 -3.395 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.553 -0.409 3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.597 -1.585 4.630 1.00 0.00 H new ATOM 589 N GLY A 546 6.050 -4.155 0.681 1.00 0.00 N ATOM 590 CA GLY A 546 5.459 -5.094 -0.256 1.00 0.00 C ATOM 591 C GLY A 546 4.186 -4.560 -0.863 1.00 0.00 C ATOM 592 O GLY A 546 3.589 -5.193 -1.730 1.00 0.00 O ATOM 0 H GLY A 546 5.783 -4.298 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.174 -5.314 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.251 -6.034 0.255 1.00 0.00 H new ATOM 596 N LEU A 547 3.778 -3.386 -0.408 1.00 0.00 N ATOM 597 CA LEU A 547 2.579 -2.749 -0.908 1.00 0.00 C ATOM 598 C LEU A 547 2.843 -2.135 -2.280 1.00 0.00 C ATOM 599 O LEU A 547 3.738 -1.307 -2.449 1.00 0.00 O ATOM 600 CB LEU A 547 2.122 -1.677 0.079 1.00 0.00 C ATOM 601 CG LEU A 547 2.757 -0.317 -0.149 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.010 0.442 -1.237 1.00 0.00 C ATOM 603 CD2 LEU A 547 2.805 0.478 1.144 1.00 0.00 C ATOM 0 H LEU A 547 4.267 -2.855 0.312 1.00 0.00 H new ATOM 0 HA LEU A 547 1.791 -3.494 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.039 -1.576 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.351 -2.009 1.092 1.00 0.00 H new ATOM 0 HG LEU A 547 3.783 -0.465 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.478 1.415 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.045 -0.126 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.972 0.581 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.264 1.449 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.792 0.622 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.393 -0.065 1.883 1.00 0.00 H new ATOM 615 N MET A 548 2.056 -2.550 -3.248 1.00 0.00 N ATOM 616 CA MET A 548 2.182 -2.051 -4.616 1.00 0.00 C ATOM 617 C MET A 548 0.817 -1.903 -5.283 1.00 0.00 C ATOM 618 O MET A 548 0.729 -1.503 -6.444 1.00 0.00 O ATOM 619 CB MET A 548 3.048 -2.982 -5.463 1.00 0.00 C ATOM 620 CG MET A 548 4.214 -3.614 -4.716 1.00 0.00 C ATOM 621 SD MET A 548 4.068 -5.406 -4.593 1.00 0.00 S ATOM 622 CE MET A 548 2.351 -5.569 -4.110 1.00 0.00 C ATOM 0 H MET A 548 1.313 -3.237 -3.120 1.00 0.00 H new ATOM 0 HA MET A 548 2.656 -1.072 -4.552 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.419 -3.775 -5.867 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.438 -2.421 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.145 -3.363 -5.224 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.273 -3.188 -3.714 1.00 0.00 H new ATOM 0 HE1 MET A 548 2.184 -6.560 -3.688 1.00 0.00 H new ATOM 0 HE2 MET A 548 2.109 -4.812 -3.364 1.00 0.00 H new ATOM 0 HE3 MET A 548 1.713 -5.434 -4.983 1.00 0.00 H new ATOM 632 N HIS A 549 -0.246 -2.222 -4.552 1.00 0.00 N ATOM 633 CA HIS A 549 -1.595 -2.116 -5.089 1.00 0.00 C ATOM 634 C HIS A 549 -2.120 -0.698 -4.921 1.00 0.00 C ATOM 635 O HIS A 549 -3.048 -0.282 -5.615 1.00 0.00 O ATOM 636 CB HIS A 549 -2.531 -3.104 -4.388 1.00 0.00 C ATOM 637 CG HIS A 549 -1.935 -4.465 -4.199 1.00 0.00 C ATOM 638 ND1 HIS A 549 -1.329 -4.865 -3.027 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.857 -5.523 -5.041 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.903 -6.110 -3.157 1.00 0.00 C ATOM 641 NE2 HIS A 549 -1.212 -6.532 -4.369 1.00 0.00 N ATOM 0 H HIS A 549 -0.198 -2.555 -3.589 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.561 -2.358 -6.151 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.809 -2.700 -3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -3.449 -3.196 -4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -2.232 -5.565 -6.053 1.00 0.00 H new ATOM 0 HE1 HIS A 549 -0.389 -6.684 -2.400 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -1.005 -7.457 -4.745 1.00 0.00 H new ATOM 650 N ASN A 550 -1.514 0.038 -3.989 1.00 0.00 N ATOM 651 CA ASN A 550 -1.908 1.423 -3.710 1.00 0.00 C ATOM 652 C ASN A 550 -3.144 1.488 -2.812 1.00 0.00 C ATOM 653 O ASN A 550 -3.368 2.488 -2.132 1.00 0.00 O ATOM 654 CB ASN A 550 -2.166 2.194 -5.010 1.00 0.00 C ATOM 655 CG ASN A 550 -1.129 1.896 -6.076 1.00 0.00 C ATOM 656 OD1 ASN A 550 -1.462 1.688 -7.242 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.139 1.874 -5.679 1.00 0.00 N ATOM 0 H ASN A 550 -0.745 -0.302 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 550 -1.078 1.891 -3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -3.156 1.940 -5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.170 3.264 -4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.881 1.679 -6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.371 2.052 -4.702 1.00 0.00 H new ATOM 664 N GLN A 551 -3.943 0.421 -2.810 1.00 0.00 N ATOM 665 CA GLN A 551 -5.149 0.358 -1.994 1.00 0.00 C ATOM 666 C GLN A 551 -6.280 1.167 -2.609 1.00 0.00 C ATOM 667 O GLN A 551 -6.151 2.365 -2.863 1.00 0.00 O ATOM 668 CB GLN A 551 -4.872 0.826 -0.570 1.00 0.00 C ATOM 669 CG GLN A 551 -3.606 0.230 0.016 1.00 0.00 C ATOM 670 CD GLN A 551 -3.445 0.530 1.493 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.317 1.687 1.894 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.447 -0.515 2.313 1.00 0.00 N ATOM 0 H GLN A 551 -3.773 -0.415 -3.369 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.463 -0.685 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.793 1.913 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.718 0.562 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.616 -0.850 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.743 0.618 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.556 -1.457 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.340 -0.375 3.318 1.00 0.00 H new ATOM 681 N ASP A 552 -7.387 0.482 -2.843 1.00 0.00 N ATOM 682 CA ASP A 552 -8.575 1.091 -3.432 1.00 0.00 C ATOM 683 C ASP A 552 -9.837 0.356 -2.978 1.00 0.00 C ATOM 684 O ASP A 552 -10.585 -0.183 -3.796 1.00 0.00 O ATOM 685 CB ASP A 552 -8.472 1.076 -4.961 1.00 0.00 C ATOM 686 CG ASP A 552 -8.261 2.462 -5.539 1.00 0.00 C ATOM 687 OD1 ASP A 552 -7.193 3.056 -5.281 1.00 0.00 O ATOM 688 OD2 ASP A 552 -9.164 2.953 -6.247 1.00 0.00 O ATOM 0 H ASP A 552 -7.491 -0.510 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.639 2.125 -3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -7.646 0.431 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -9.381 0.645 -5.380 1.00 0.00 H new ATOM 693 N GLY A 553 -10.067 0.331 -1.667 1.00 0.00 N ATOM 694 CA GLY A 553 -11.233 -0.346 -1.134 1.00 0.00 C ATOM 695 C GLY A 553 -11.131 -1.852 -1.263 1.00 0.00 C ATOM 696 O GLY A 553 -12.005 -2.496 -1.842 1.00 0.00 O ATOM 0 H GLY A 553 -9.467 0.767 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.356 -0.081 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -12.124 0.002 -1.657 1.00 0.00 H new ATOM 700 N LEU A 554 -10.053 -2.411 -0.726 1.00 0.00 N ATOM 701 CA LEU A 554 -9.824 -3.850 -0.784 1.00 0.00 C ATOM 702 C LEU A 554 -10.058 -4.499 0.576 1.00 0.00 C ATOM 703 O LEU A 554 -10.421 -5.673 0.662 1.00 0.00 O ATOM 704 CB LEU A 554 -8.395 -4.134 -1.249 1.00 0.00 C ATOM 705 CG LEU A 554 -7.982 -3.432 -2.544 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.637 -3.950 -3.025 1.00 0.00 C ATOM 707 CD2 LEU A 554 -9.044 -3.619 -3.620 1.00 0.00 C ATOM 0 H LEU A 554 -9.322 -1.888 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.531 -4.276 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.706 -3.837 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.281 -5.209 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.887 -2.365 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.359 -3.440 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.881 -3.761 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.705 -5.022 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.731 -3.112 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -9.174 -4.682 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.988 -3.197 -3.276 1.00 0.00 H new ATOM 719 N ILE A 555 -9.844 -3.727 1.634 1.00 0.00 N ATOM 720 CA ILE A 555 -10.027 -4.225 2.994 1.00 0.00 C ATOM 721 C ILE A 555 -11.264 -3.605 3.636 1.00 0.00 C ATOM 722 O ILE A 555 -11.910 -4.223 4.482 1.00 0.00 O ATOM 723 CB ILE A 555 -8.792 -3.948 3.888 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.900 -2.854 3.284 1.00 0.00 C ATOM 725 CG2 ILE A 555 -7.994 -5.224 4.104 1.00 0.00 C ATOM 726 CD1 ILE A 555 -7.044 -3.326 2.125 1.00 0.00 C ATOM 0 H ILE A 555 -9.544 -2.754 1.578 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.157 -5.304 2.917 1.00 0.00 H new ATOM 0 HB ILE A 555 -9.152 -3.592 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -8.530 -2.032 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.250 -2.457 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.130 -5.011 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.623 -5.969 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.655 -5.609 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.444 -2.495 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.386 -4.128 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.686 -3.695 1.325 1.00 0.00 H new ATOM 738 N CYS A 556 -11.591 -2.383 3.227 1.00 0.00 N ATOM 739 CA CYS A 556 -12.755 -1.682 3.762 1.00 0.00 C ATOM 740 C CYS A 556 -14.042 -2.217 3.151 1.00 0.00 C ATOM 741 O CYS A 556 -15.140 -1.887 3.600 1.00 0.00 O ATOM 742 CB CYS A 556 -12.631 -0.175 3.502 1.00 0.00 C ATOM 743 SG CYS A 556 -13.348 0.908 4.795 1.00 0.00 S ATOM 0 H CYS A 556 -11.067 -1.857 2.527 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.792 -1.855 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.575 0.071 3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.114 0.053 2.552 1.00 0.00 H new ATOM 748 N GLY A 557 -13.898 -3.051 2.131 1.00 0.00 N ATOM 749 CA GLY A 557 -15.039 -3.631 1.479 1.00 0.00 C ATOM 750 C GLY A 557 -14.643 -4.863 0.712 1.00 0.00 C ATOM 751 O GLY A 557 -13.886 -5.695 1.212 1.00 0.00 O ATOM 0 H GLY A 557 -12.998 -3.335 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.797 -3.886 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.486 -2.903 0.802 1.00 0.00 H new ATOM 755 N LEU A 558 -15.138 -4.977 -0.504 1.00 0.00 N ATOM 756 CA LEU A 558 -14.822 -6.118 -1.343 1.00 0.00 C ATOM 757 C LEU A 558 -14.927 -5.752 -2.822 1.00 0.00 C ATOM 758 O LEU A 558 -14.154 -6.237 -3.648 1.00 0.00 O ATOM 759 CB LEU A 558 -15.753 -7.290 -1.018 1.00 0.00 C ATOM 760 CG LEU A 558 -16.398 -7.266 0.375 1.00 0.00 C ATOM 761 CD1 LEU A 558 -17.675 -8.092 0.381 1.00 0.00 C ATOM 762 CD2 LEU A 558 -15.423 -7.776 1.434 1.00 0.00 C ATOM 0 H LEU A 558 -15.761 -4.294 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.794 -6.418 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.547 -7.316 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.188 -8.217 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.651 -6.234 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.121 -8.065 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -18.378 -7.680 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.443 -9.123 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -15.902 -7.750 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.134 -8.800 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.536 -7.142 1.447 1.00 0.00 H new ATOM 774 N ARG A 559 -15.888 -4.892 -3.149 1.00 0.00 N ATOM 775 CA ARG A 559 -16.093 -4.460 -4.526 1.00 0.00 C ATOM 776 C ARG A 559 -16.149 -2.937 -4.616 1.00 0.00 C ATOM 777 O ARG A 559 -16.869 -2.382 -5.447 1.00 0.00 O ATOM 778 CB ARG A 559 -17.385 -5.059 -5.078 1.00 0.00 C ATOM 779 CG ARG A 559 -18.537 -5.036 -4.086 1.00 0.00 C ATOM 780 CD ARG A 559 -19.880 -4.953 -4.788 1.00 0.00 C ATOM 781 NE ARG A 559 -20.705 -3.865 -4.264 1.00 0.00 N ATOM 782 CZ ARG A 559 -20.523 -2.583 -4.573 1.00 0.00 C ATOM 783 NH1 ARG A 559 -19.550 -2.222 -5.399 1.00 0.00 N ATOM 784 NH2 ARG A 559 -21.318 -1.659 -4.050 1.00 0.00 N ATOM 0 H ARG A 559 -16.537 -4.481 -2.478 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.250 -4.811 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.677 -4.511 -5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.198 -6.089 -5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -18.504 -5.934 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.423 -4.184 -3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.722 -4.806 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -20.410 -5.898 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 559 -21.464 -4.102 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -18.935 -2.929 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -19.417 -1.238 -5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -22.066 -1.932 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -21.181 -0.676 -4.285 1.00 0.00 H new ATOM 798 N GLN A 560 -15.390 -2.266 -3.754 1.00 0.00 N ATOM 799 CA GLN A 560 -15.356 -0.803 -3.735 1.00 0.00 C ATOM 800 C GLN A 560 -15.137 -0.242 -5.137 1.00 0.00 C ATOM 801 O GLN A 560 -14.631 -0.989 -6.001 1.00 0.00 O ATOM 802 CB GLN A 560 -14.251 -0.297 -2.797 1.00 0.00 C ATOM 803 CG GLN A 560 -14.500 -0.560 -1.313 1.00 0.00 C ATOM 804 CD GLN A 560 -15.974 -0.635 -0.951 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.577 -1.797 -1.175 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.560 0.338 -0.477 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -15.476 0.939 -5.361 1.00 0.00 O ATOM 0 H GLN A 560 -14.790 -2.710 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.321 -0.456 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.309 -0.766 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.130 0.776 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.017 -1.496 -1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.030 0.230 -0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.056 1.211 -0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.550 0.271 -0.239 1.00 0.00 H new TER 816 GLN A 560