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= -8.18! C(o=-10!,f=-18!) USER MOD Set 1.2: A 550 ASN :FLIP amide:sc= -2.21! C(o=-11!,f=-10!) USER MOD Single : A 508 GLN : amide:sc= -0.623 K(o=-0.62,f=-2.4!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN :FLIP amide:sc= -1.13 F(o=-3.3,f=-1.1) USER MOD Single : A 514 ASN : amide:sc= -4.33! C(o=-4.3!,f=-7.2!) USER MOD Single : A 516 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.027) 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 -144:sc= -0.386 USER MOD Single : A 534 TYR OH : rot 30:sc= -0.228 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl -140:sc= -3.68! (180deg=-5.76!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 551 GLN : amide:sc= -2.65 K(o=-2.6,f=-11!) USER MOD Single : A 560 GLN :FLIP amide:sc= -0.843 F(o=-2.8,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -9.220 -9.644 -0.667 1.00 0.00 N ATOM 2 CA ALA A 507 -10.333 -9.921 0.279 1.00 0.00 C ATOM 3 C ALA A 507 -9.861 -9.817 1.724 1.00 0.00 C ATOM 4 O ALA A 507 -9.193 -10.715 2.236 1.00 0.00 O ATOM 5 CB ALA A 507 -10.918 -11.300 0.012 1.00 0.00 C ATOM 0 HA ALA A 507 -11.108 -9.171 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -11.732 -11.491 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -11.298 -11.342 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -10.143 -12.055 0.142 1.00 0.00 H new ATOM 13 N GLN A 508 -10.213 -8.716 2.380 1.00 0.00 N ATOM 14 CA GLN A 508 -9.825 -8.496 3.769 1.00 0.00 C ATOM 15 C GLN A 508 -10.719 -7.445 4.425 1.00 0.00 C ATOM 16 O GLN A 508 -10.862 -6.335 3.914 1.00 0.00 O ATOM 17 CB GLN A 508 -8.360 -8.063 3.854 1.00 0.00 C ATOM 18 CG GLN A 508 -7.933 -7.089 2.764 1.00 0.00 C ATOM 19 CD GLN A 508 -6.553 -7.396 2.218 1.00 0.00 C ATOM 20 OE1 GLN A 508 -5.851 -8.269 2.729 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.155 -6.678 1.174 1.00 0.00 N ATOM 0 H GLN A 508 -10.766 -7.962 1.972 1.00 0.00 H new ATOM 0 HA GLN A 508 -9.947 -9.437 4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.185 -7.602 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -7.727 -8.949 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -8.657 -7.120 1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -7.945 -6.075 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -6.769 -5.964 0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.235 -6.840 0.764 1.00 0.00 H new ATOM 30 N PRO A 509 -11.344 -7.786 5.568 1.00 0.00 N ATOM 31 CA PRO A 509 -12.236 -6.886 6.295 1.00 0.00 C ATOM 32 C PRO A 509 -11.514 -6.087 7.372 1.00 0.00 C ATOM 33 O PRO A 509 -11.455 -6.492 8.533 1.00 0.00 O ATOM 34 CB PRO A 509 -13.189 -7.872 6.938 1.00 0.00 C ATOM 35 CG PRO A 509 -12.279 -8.972 7.351 1.00 0.00 C ATOM 36 CD PRO A 509 -11.251 -9.092 6.249 1.00 0.00 C ATOM 0 HA PRO A 509 -12.697 -6.135 5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.712 -7.436 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.951 -8.216 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -11.804 -8.749 8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.827 -9.906 7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -10.252 -9.270 6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -11.477 -9.917 5.573 1.00 0.00 H new ATOM 44 N LYS A 510 -10.964 -4.959 6.973 1.00 0.00 N ATOM 45 CA LYS A 510 -10.233 -4.092 7.895 1.00 0.00 C ATOM 46 C LYS A 510 -10.534 -2.617 7.656 1.00 0.00 C ATOM 47 O LYS A 510 -10.658 -1.837 8.601 1.00 0.00 O ATOM 48 CB LYS A 510 -8.737 -4.362 7.782 1.00 0.00 C ATOM 49 CG LYS A 510 -8.212 -5.286 8.862 1.00 0.00 C ATOM 50 CD LYS A 510 -6.966 -6.026 8.404 1.00 0.00 C ATOM 51 CE LYS A 510 -7.315 -7.353 7.751 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.131 -8.499 8.685 1.00 0.00 N ATOM 0 H LYS A 510 -11.006 -4.614 6.014 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.566 -4.324 8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.526 -4.799 6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.199 -3.415 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.985 -4.708 9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.984 -6.005 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.412 -5.407 7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.311 -6.200 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.349 -7.327 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -6.690 -7.499 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.380 -9.385 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.139 -8.540 8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -7.746 -8.373 9.514 1.00 0.00 H new ATOM 66 N CYS A 511 -10.652 -2.249 6.393 1.00 0.00 N ATOM 67 CA CYS A 511 -10.946 -0.873 6.000 1.00 0.00 C ATOM 68 C CYS A 511 -9.740 0.027 6.168 1.00 0.00 C ATOM 69 O CYS A 511 -9.842 1.144 6.677 1.00 0.00 O ATOM 70 CB CYS A 511 -12.151 -0.318 6.764 1.00 0.00 C ATOM 71 SG CYS A 511 -13.707 -0.353 5.812 1.00 0.00 S ATOM 0 H CYS A 511 -10.548 -2.891 5.608 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.200 -0.891 4.940 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.284 -0.892 7.681 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.940 0.710 7.060 1.00 0.00 H new ATOM 76 N ASN A 512 -8.601 -0.454 5.699 1.00 0.00 N ATOM 77 CA ASN A 512 -7.374 0.322 5.758 1.00 0.00 C ATOM 78 C ASN A 512 -6.685 0.386 4.388 1.00 0.00 C ATOM 79 O ASN A 512 -5.456 0.371 4.308 1.00 0.00 O ATOM 80 CB ASN A 512 -6.417 -0.257 6.803 1.00 0.00 C ATOM 81 CG ASN A 512 -5.134 0.552 6.954 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.131 1.791 6.460 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -4.150 0.066 7.511 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.500 -1.376 5.274 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.642 1.337 6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.925 -0.303 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.163 -1.280 6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.189 -0.885 7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -3.295 0.615 7.607 1.00 0.00 H new ATOM 90 N PRO A 513 -7.460 0.452 3.283 1.00 0.00 N ATOM 91 CA PRO A 513 -6.899 0.510 1.933 1.00 0.00 C ATOM 92 C PRO A 513 -6.564 1.939 1.485 1.00 0.00 C ATOM 93 O PRO A 513 -5.566 2.511 1.926 1.00 0.00 O ATOM 94 CB PRO A 513 -8.029 -0.088 1.104 1.00 0.00 C ATOM 95 CG PRO A 513 -9.257 0.431 1.769 1.00 0.00 C ATOM 96 CD PRO A 513 -8.940 0.464 3.245 1.00 0.00 C ATOM 0 HA PRO A 513 -5.947 -0.014 1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -7.973 0.227 0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -7.999 -1.178 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.511 1.425 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.113 -0.212 1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.346 1.356 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.362 -0.396 3.765 1.00 0.00 H new ATOM 104 N ASN A 514 -7.387 2.511 0.599 1.00 0.00 N ATOM 105 CA ASN A 514 -7.151 3.856 0.095 1.00 0.00 C ATOM 106 C ASN A 514 -7.540 4.925 1.118 1.00 0.00 C ATOM 107 O ASN A 514 -7.482 6.118 0.828 1.00 0.00 O ATOM 108 CB ASN A 514 -7.916 4.067 -1.215 1.00 0.00 C ATOM 109 CG ASN A 514 -9.413 4.223 -1.010 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.862 5.090 -0.260 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.194 3.385 -1.680 1.00 0.00 N ATOM 0 H ASN A 514 -8.219 2.059 0.221 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.082 3.958 -0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.529 4.954 -1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.732 3.221 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.208 3.445 -1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.781 2.681 -2.291 1.00 0.00 H new ATOM 118 N LEU A 515 -7.924 4.499 2.316 1.00 0.00 N ATOM 119 CA LEU A 515 -8.301 5.432 3.366 1.00 0.00 C ATOM 120 C LEU A 515 -7.144 5.616 4.338 1.00 0.00 C ATOM 121 O LEU A 515 -7.334 5.705 5.551 1.00 0.00 O ATOM 122 CB LEU A 515 -9.551 4.933 4.091 1.00 0.00 C ATOM 123 CG LEU A 515 -10.780 4.750 3.193 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.947 5.950 2.268 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.666 3.462 2.386 1.00 0.00 C ATOM 0 H LEU A 515 -7.982 3.516 2.582 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.531 6.399 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.322 3.981 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.799 5.637 4.885 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.664 4.679 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.824 5.804 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.075 6.854 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.062 6.052 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.547 3.349 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.774 3.502 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.595 2.612 3.065 1.00 0.00 H new ATOM 137 N HIS A 516 -5.941 5.669 3.776 1.00 0.00 N ATOM 138 CA HIS A 516 -4.718 5.841 4.550 1.00 0.00 C ATOM 139 C HIS A 516 -3.500 5.786 3.634 1.00 0.00 C ATOM 140 O HIS A 516 -2.494 6.445 3.886 1.00 0.00 O ATOM 141 CB HIS A 516 -4.607 4.762 5.631 1.00 0.00 C ATOM 142 CG HIS A 516 -3.991 5.255 6.904 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.983 4.520 8.071 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.358 6.418 7.190 1.00 0.00 C ATOM 145 CE1 HIS A 516 -3.373 5.210 9.020 1.00 0.00 C ATOM 146 NE2 HIS A 516 -2.984 6.364 8.510 1.00 0.00 N ATOM 0 H HIS A 516 -5.787 5.594 2.771 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.754 6.817 5.034 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.601 4.370 5.845 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -4.013 3.933 5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.181 7.235 6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -3.219 4.885 10.038 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -2.486 7.097 9.015 1.00 0.00 H new ATOM 155 N TYR A 517 -3.606 4.990 2.568 1.00 0.00 N ATOM 156 CA TYR A 517 -2.525 4.827 1.592 1.00 0.00 C ATOM 157 C TYR A 517 -1.770 6.140 1.355 1.00 0.00 C ATOM 158 O TYR A 517 -0.542 6.156 1.280 1.00 0.00 O ATOM 159 CB TYR A 517 -3.097 4.283 0.275 1.00 0.00 C ATOM 160 CG TYR A 517 -3.797 5.322 -0.582 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.904 6.013 -0.105 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.354 5.604 -1.867 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.550 6.955 -0.884 1.00 0.00 C ATOM 164 CE2 TYR A 517 -3.995 6.544 -2.654 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.091 7.216 -2.158 1.00 0.00 C ATOM 166 OH TYR A 517 -5.731 8.152 -2.939 1.00 0.00 O ATOM 0 H TYR A 517 -4.440 4.442 2.357 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.806 4.113 1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.286 3.839 -0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.801 3.483 0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.266 5.811 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.494 5.081 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.409 7.483 -0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.638 6.750 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.281 8.216 -3.807 1.00 0.00 H new ATOM 176 N TRP A 518 -2.518 7.232 1.253 1.00 0.00 N ATOM 177 CA TRP A 518 -1.936 8.556 1.041 1.00 0.00 C ATOM 178 C TRP A 518 -1.124 8.983 2.258 1.00 0.00 C ATOM 179 O TRP A 518 -1.590 9.768 3.084 1.00 0.00 O ATOM 180 CB TRP A 518 -3.049 9.574 0.782 1.00 0.00 C ATOM 181 CG TRP A 518 -4.217 9.403 1.706 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.195 8.853 2.957 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.575 9.767 1.452 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.456 8.853 3.494 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.324 9.413 2.592 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.232 10.361 0.373 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.696 9.634 2.680 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.594 10.581 0.461 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.313 10.218 1.607 1.00 0.00 C ATOM 0 H TRP A 518 -3.536 7.228 1.314 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.274 8.512 0.176 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.647 10.581 0.893 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.390 9.479 -0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.312 8.474 3.451 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.708 8.495 4.415 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.686 10.644 -0.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.253 9.355 3.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.112 11.040 -0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.376 10.403 1.645 1.00 0.00 H new ATOM 200 N THR A 519 0.086 8.452 2.373 1.00 0.00 N ATOM 201 CA THR A 519 0.949 8.769 3.502 1.00 0.00 C ATOM 202 C THR A 519 2.371 8.295 3.242 1.00 0.00 C ATOM 203 O THR A 519 3.323 9.073 3.296 1.00 0.00 O ATOM 204 CB THR A 519 0.399 8.104 4.758 1.00 0.00 C ATOM 205 OG1 THR A 519 1.307 8.224 5.838 1.00 0.00 O ATOM 206 CG2 THR A 519 0.095 6.633 4.566 1.00 0.00 C ATOM 0 H THR A 519 0.491 7.801 1.700 1.00 0.00 H new ATOM 0 HA THR A 519 0.970 9.850 3.639 1.00 0.00 H new ATOM 0 HB THR A 519 -0.532 8.627 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.930 7.791 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.293 6.217 5.496 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.648 6.515 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.007 6.106 4.286 1.00 0.00 H new ATOM 214 N THR A 520 2.494 7.012 2.943 1.00 0.00 N ATOM 215 CA THR A 520 3.780 6.409 2.645 1.00 0.00 C ATOM 216 C THR A 520 3.751 5.811 1.244 1.00 0.00 C ATOM 217 O THR A 520 4.767 5.339 0.735 1.00 0.00 O ATOM 218 CB THR A 520 4.122 5.332 3.680 1.00 0.00 C ATOM 219 OG1 THR A 520 5.451 4.875 3.507 1.00 0.00 O ATOM 220 CG2 THR A 520 3.212 4.123 3.624 1.00 0.00 C ATOM 0 H THR A 520 1.708 6.363 2.900 1.00 0.00 H new ATOM 0 HA THR A 520 4.551 7.178 2.689 1.00 0.00 H new ATOM 0 HB THR A 520 3.989 5.817 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.496 3.916 3.705 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.515 3.404 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.183 4.433 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.282 3.660 2.640 1.00 0.00 H new ATOM 228 N GLN A 521 2.571 5.842 0.622 1.00 0.00 N ATOM 229 CA GLN A 521 2.401 5.315 -0.715 1.00 0.00 C ATOM 230 C GLN A 521 2.456 6.446 -1.741 1.00 0.00 C ATOM 231 O GLN A 521 3.018 6.306 -2.826 1.00 0.00 O ATOM 232 CB GLN A 521 1.078 4.538 -0.817 1.00 0.00 C ATOM 233 CG GLN A 521 -0.096 5.365 -1.315 1.00 0.00 C ATOM 234 CD GLN A 521 -0.115 5.490 -2.822 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.005 4.498 -3.539 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.249 6.714 -3.308 1.00 0.00 N ATOM 0 H GLN A 521 1.722 6.230 1.032 1.00 0.00 H new ATOM 0 HA GLN A 521 3.216 4.624 -0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.219 3.689 -1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.832 4.133 0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.027 4.908 -0.979 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.051 6.360 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.337 7.508 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.264 6.863 -4.317 1.00 0.00 H new ATOM 245 N ASP A 522 1.873 7.570 -1.369 1.00 0.00 N ATOM 246 CA ASP A 522 1.848 8.754 -2.224 1.00 0.00 C ATOM 247 C ASP A 522 3.050 9.648 -1.944 1.00 0.00 C ATOM 248 O ASP A 522 3.194 10.726 -2.522 1.00 0.00 O ATOM 249 CB ASP A 522 0.557 9.541 -2.004 1.00 0.00 C ATOM 250 CG ASP A 522 -0.153 9.867 -3.302 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.019 9.109 -4.280 1.00 0.00 O ATOM 252 OD2 ASP A 522 -0.881 10.882 -3.343 1.00 0.00 O ATOM 0 H ASP A 522 1.404 7.694 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 522 1.892 8.423 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.111 8.965 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.785 10.467 -1.476 1.00 0.00 H new ATOM 257 N GLU A 523 3.904 9.181 -1.052 1.00 0.00 N ATOM 258 CA GLU A 523 5.106 9.904 -0.665 1.00 0.00 C ATOM 259 C GLU A 523 6.278 8.938 -0.591 1.00 0.00 C ATOM 260 O GLU A 523 7.430 9.313 -0.806 1.00 0.00 O ATOM 261 CB GLU A 523 4.898 10.596 0.683 1.00 0.00 C ATOM 262 CG GLU A 523 3.449 10.974 0.950 1.00 0.00 C ATOM 263 CD GLU A 523 3.317 12.185 1.854 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.619 13.305 1.392 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.912 12.011 3.022 1.00 0.00 O ATOM 0 H GLU A 523 3.785 8.288 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 523 5.321 10.668 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.247 9.938 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.513 11.495 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.950 11.177 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.935 10.128 1.406 1.00 0.00 H new ATOM 272 N GLY A 524 5.959 7.684 -0.300 1.00 0.00 N ATOM 273 CA GLY A 524 6.966 6.655 -0.218 1.00 0.00 C ATOM 274 C GLY A 524 6.827 5.647 -1.341 1.00 0.00 C ATOM 275 O GLY A 524 7.796 4.992 -1.719 1.00 0.00 O ATOM 0 H GLY A 524 5.008 7.363 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.956 7.110 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.888 6.144 0.742 1.00 0.00 H new ATOM 279 N ALA A 525 5.615 5.531 -1.884 1.00 0.00 N ATOM 280 CA ALA A 525 5.353 4.606 -2.979 1.00 0.00 C ATOM 281 C ALA A 525 5.089 5.363 -4.272 1.00 0.00 C ATOM 282 O ALA A 525 4.403 4.872 -5.169 1.00 0.00 O ATOM 283 CB ALA A 525 4.176 3.705 -2.638 1.00 0.00 C ATOM 0 H ALA A 525 4.802 6.067 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 525 6.237 3.984 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.991 3.019 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.403 3.135 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.289 4.315 -2.467 1.00 0.00 H new ATOM 289 N ALA A 526 5.630 6.570 -4.349 1.00 0.00 N ATOM 290 CA ALA A 526 5.451 7.422 -5.522 1.00 0.00 C ATOM 291 C ALA A 526 6.706 8.227 -5.853 1.00 0.00 C ATOM 292 O ALA A 526 6.729 8.980 -6.827 1.00 0.00 O ATOM 293 CB ALA A 526 4.284 8.365 -5.294 1.00 0.00 C ATOM 0 H ALA A 526 6.199 6.985 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 526 5.249 6.770 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.152 9.000 -6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.376 7.786 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.484 8.988 -4.422 1.00 0.00 H new ATOM 299 N ILE A 527 7.740 8.080 -5.037 1.00 0.00 N ATOM 300 CA ILE A 527 8.985 8.808 -5.240 1.00 0.00 C ATOM 301 C ILE A 527 10.185 7.971 -4.810 1.00 0.00 C ATOM 302 O ILE A 527 11.221 7.966 -5.474 1.00 0.00 O ATOM 303 CB ILE A 527 8.987 10.140 -4.457 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.911 10.119 -3.357 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.785 11.316 -5.404 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.559 10.649 -3.792 1.00 0.00 C ATOM 0 H ILE A 527 7.741 7.461 -4.226 1.00 0.00 H new ATOM 0 HA ILE A 527 9.062 9.022 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 527 9.957 10.261 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.790 9.095 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 527 8.263 10.708 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.789 12.246 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.591 11.335 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.830 11.209 -5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.862 10.598 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.661 11.685 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.180 10.046 -4.618 1.00 0.00 H new ATOM 318 N GLY A 528 10.039 7.267 -3.691 1.00 0.00 N ATOM 319 CA GLY A 528 11.118 6.438 -3.193 1.00 0.00 C ATOM 320 C GLY A 528 11.354 5.217 -4.056 1.00 0.00 C ATOM 321 O GLY A 528 11.862 5.328 -5.172 1.00 0.00 O ATOM 0 H GLY A 528 9.193 7.257 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 528 12.033 7.028 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.889 6.121 -2.175 1.00 0.00 H new ATOM 325 N LEU A 529 10.994 4.046 -3.540 1.00 0.00 N ATOM 326 CA LEU A 529 11.184 2.807 -4.281 1.00 0.00 C ATOM 327 C LEU A 529 9.976 1.876 -4.159 1.00 0.00 C ATOM 328 O LEU A 529 9.980 0.930 -3.371 1.00 0.00 O ATOM 329 CB LEU A 529 12.451 2.096 -3.802 1.00 0.00 C ATOM 330 CG LEU A 529 13.481 1.810 -4.896 1.00 0.00 C ATOM 331 CD1 LEU A 529 14.155 3.099 -5.337 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.511 0.803 -4.407 1.00 0.00 C ATOM 0 H LEU A 529 10.572 3.930 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 529 11.291 3.067 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.922 2.705 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.167 1.153 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 529 12.966 1.381 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.885 2.880 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 529 13.405 3.787 -5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 529 14.659 3.556 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.236 0.611 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 529 15.025 1.203 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.011 -0.128 -4.139 1.00 0.00 H new ATOM 344 N ALA A 530 8.959 2.139 -4.971 1.00 0.00 N ATOM 345 CA ALA A 530 7.751 1.317 -4.996 1.00 0.00 C ATOM 346 C ALA A 530 7.615 0.626 -6.348 1.00 0.00 C ATOM 347 O ALA A 530 6.665 -0.117 -6.596 1.00 0.00 O ATOM 348 CB ALA A 530 6.522 2.163 -4.719 1.00 0.00 C ATOM 0 H ALA A 530 8.946 2.921 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 530 7.833 0.560 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.633 1.532 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.613 2.626 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.436 2.939 -5.479 1.00 0.00 H new ATOM 354 N TRP A 531 8.585 0.888 -7.211 1.00 0.00 N ATOM 355 CA TRP A 531 8.626 0.319 -8.550 1.00 0.00 C ATOM 356 C TRP A 531 9.602 -0.850 -8.582 1.00 0.00 C ATOM 357 O TRP A 531 10.108 -1.224 -9.641 1.00 0.00 O ATOM 358 CB TRP A 531 9.065 1.398 -9.550 1.00 0.00 C ATOM 359 CG TRP A 531 9.762 2.544 -8.883 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.034 2.552 -8.397 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.208 3.833 -8.590 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.309 3.764 -7.819 1.00 0.00 N ATOM 363 CE2 TRP A 531 10.207 4.572 -7.930 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.968 4.435 -8.826 1.00 0.00 C ATOM 365 CZ2 TRP A 531 10.003 5.882 -7.500 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.767 5.735 -8.399 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.780 6.446 -7.743 1.00 0.00 C ATOM 0 H TRP A 531 9.370 1.505 -7.001 1.00 0.00 H new ATOM 0 HA TRP A 531 7.634 -0.041 -8.823 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.729 0.954 -10.291 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.192 1.770 -10.086 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.725 1.724 -8.458 1.00 0.00 H new ATOM 0 HE1 TRP A 531 12.191 4.023 -7.377 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.182 3.895 -9.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.782 6.432 -6.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.813 6.210 -8.574 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.592 7.460 -7.422 1.00 0.00 H new ATOM 378 N ILE A 532 9.875 -1.411 -7.406 1.00 0.00 N ATOM 379 CA ILE A 532 10.808 -2.525 -7.292 1.00 0.00 C ATOM 380 C ILE A 532 10.334 -3.538 -6.231 1.00 0.00 C ATOM 381 O ILE A 532 10.452 -3.308 -5.029 1.00 0.00 O ATOM 382 CB ILE A 532 12.243 -2.006 -6.989 1.00 0.00 C ATOM 383 CG1 ILE A 532 12.466 -1.752 -5.495 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.520 -0.730 -7.775 1.00 0.00 C ATOM 385 CD1 ILE A 532 11.464 -0.798 -4.879 1.00 0.00 C ATOM 0 H ILE A 532 9.464 -1.112 -6.522 1.00 0.00 H new ATOM 0 HA ILE A 532 10.838 -3.048 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 532 12.937 -2.787 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE A 532 12.422 -2.703 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.470 -1.353 -5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.527 -0.378 -7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.433 -0.934 -8.842 1.00 0.00 H new ATOM 0 HG23 ILE A 532 11.798 0.036 -7.492 1.00 0.00 H new ATOM 0 HD11 ILE A 532 11.688 -0.669 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 532 11.523 0.167 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 532 10.459 -1.204 -4.990 1.00 0.00 H new ATOM 397 N PRO A 533 9.740 -4.665 -6.671 1.00 0.00 N ATOM 398 CA PRO A 533 9.206 -5.689 -5.766 1.00 0.00 C ATOM 399 C PRO A 533 10.218 -6.745 -5.308 1.00 0.00 C ATOM 400 O PRO A 533 10.419 -7.753 -5.984 1.00 0.00 O ATOM 401 CB PRO A 533 8.125 -6.339 -6.623 1.00 0.00 C ATOM 402 CG PRO A 533 8.660 -6.267 -8.013 1.00 0.00 C ATOM 403 CD PRO A 533 9.498 -5.013 -8.086 1.00 0.00 C ATOM 0 HA PRO A 533 8.870 -5.245 -4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 533 7.944 -7.370 -6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 533 7.176 -5.810 -6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 533 9.259 -7.148 -8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 533 7.848 -6.234 -8.740 1.00 0.00 H new ATOM 0 HD2 PRO A 533 10.432 -5.187 -8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 533 8.975 -4.213 -8.610 1.00 0.00 H new ATOM 411 N TYR A 534 10.807 -6.537 -4.129 1.00 0.00 N ATOM 412 CA TYR A 534 11.748 -7.504 -3.554 1.00 0.00 C ATOM 413 C TYR A 534 11.747 -7.409 -2.032 1.00 0.00 C ATOM 414 O TYR A 534 11.522 -8.399 -1.335 1.00 0.00 O ATOM 415 CB TYR A 534 13.187 -7.313 -4.055 1.00 0.00 C ATOM 416 CG TYR A 534 13.338 -6.510 -5.322 1.00 0.00 C ATOM 417 CD1 TYR A 534 12.959 -7.029 -6.552 1.00 0.00 C ATOM 418 CD2 TYR A 534 13.890 -5.238 -5.285 1.00 0.00 C ATOM 419 CE1 TYR A 534 13.119 -6.298 -7.712 1.00 0.00 C ATOM 420 CE2 TYR A 534 14.058 -4.504 -6.437 1.00 0.00 C ATOM 421 CZ TYR A 534 13.671 -5.036 -7.650 1.00 0.00 C ATOM 422 OH TYR A 534 13.838 -4.305 -8.804 1.00 0.00 O ATOM 0 H TYR A 534 10.650 -5.710 -3.553 1.00 0.00 H new ATOM 0 HA TYR A 534 11.406 -8.486 -3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 534 13.764 -6.828 -3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 534 13.630 -8.296 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 534 12.532 -8.020 -6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 534 14.193 -4.817 -4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 534 12.814 -6.712 -8.662 1.00 0.00 H new ATOM 0 HE2 TYR A 534 14.491 -3.516 -6.392 1.00 0.00 H new ATOM 0 HH TYR A 534 13.144 -4.551 -9.450 1.00 0.00 H new ATOM 432 N PHE A 535 12.016 -6.210 -1.526 1.00 0.00 N ATOM 433 CA PHE A 535 12.064 -5.973 -0.089 1.00 0.00 C ATOM 434 C PHE A 535 10.711 -5.509 0.450 1.00 0.00 C ATOM 435 O PHE A 535 10.635 -4.913 1.525 1.00 0.00 O ATOM 436 CB PHE A 535 13.139 -4.934 0.235 1.00 0.00 C ATOM 437 CG PHE A 535 12.854 -3.573 -0.335 1.00 0.00 C ATOM 438 CD1 PHE A 535 13.229 -3.253 -1.632 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.211 -2.612 0.428 1.00 0.00 C ATOM 440 CE1 PHE A 535 12.967 -2.000 -2.154 1.00 0.00 C ATOM 441 CE2 PHE A 535 11.946 -1.358 -0.088 1.00 0.00 C ATOM 442 CZ PHE A 535 12.325 -1.052 -1.381 1.00 0.00 C ATOM 0 H PHE A 535 12.205 -5.384 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 535 12.312 -6.917 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 535 13.238 -4.852 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.098 -5.285 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 535 13.731 -3.991 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.913 -2.846 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 535 13.264 -1.763 -3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.444 -0.619 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 535 12.120 -0.073 -1.787 1.00 0.00 H new ATOM 452 N GLY A 536 9.646 -5.783 -0.299 1.00 0.00 N ATOM 453 CA GLY A 536 8.314 -5.383 0.125 1.00 0.00 C ATOM 454 C GLY A 536 8.021 -5.744 1.572 1.00 0.00 C ATOM 455 O GLY A 536 7.737 -4.866 2.385 1.00 0.00 O ATOM 0 H GLY A 536 9.681 -6.275 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.205 -4.306 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 536 7.575 -5.858 -0.520 1.00 0.00 H new ATOM 459 N PRO A 537 8.081 -7.039 1.927 1.00 0.00 N ATOM 460 CA PRO A 537 7.813 -7.497 3.296 1.00 0.00 C ATOM 461 C PRO A 537 8.918 -7.106 4.277 1.00 0.00 C ATOM 462 O PRO A 537 8.800 -7.339 5.481 1.00 0.00 O ATOM 463 CB PRO A 537 7.742 -9.017 3.151 1.00 0.00 C ATOM 464 CG PRO A 537 8.579 -9.324 1.958 1.00 0.00 C ATOM 465 CD PRO A 537 8.412 -8.158 1.023 1.00 0.00 C ATOM 0 HA PRO A 537 6.907 -7.047 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 537 8.123 -9.518 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 537 6.715 -9.354 3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 537 9.625 -9.453 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 537 8.259 -10.252 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.323 -7.962 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.619 -8.336 0.297 1.00 0.00 H new ATOM 473 N ALA A 538 9.989 -6.509 3.760 1.00 0.00 N ATOM 474 CA ALA A 538 11.108 -6.085 4.593 1.00 0.00 C ATOM 475 C ALA A 538 11.035 -4.591 4.892 1.00 0.00 C ATOM 476 O ALA A 538 11.508 -4.132 5.931 1.00 0.00 O ATOM 477 CB ALA A 538 12.427 -6.426 3.915 1.00 0.00 C ATOM 0 H ALA A 538 10.104 -6.308 2.767 1.00 0.00 H new ATOM 0 HA ALA A 538 11.049 -6.621 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 538 13.255 -6.104 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 538 12.488 -7.503 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.485 -5.915 2.954 1.00 0.00 H new ATOM 483 N ALA A 539 10.434 -3.839 3.975 1.00 0.00 N ATOM 484 CA ALA A 539 10.293 -2.397 4.140 1.00 0.00 C ATOM 485 C ALA A 539 9.097 -2.063 5.026 1.00 0.00 C ATOM 486 O ALA A 539 8.982 -0.952 5.543 1.00 0.00 O ATOM 487 CB ALA A 539 10.136 -1.732 2.786 1.00 0.00 C ATOM 0 H ALA A 539 10.037 -4.205 3.110 1.00 0.00 H new ATOM 0 HA ALA A 539 11.194 -2.020 4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.031 -0.655 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.015 -1.938 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.249 -2.124 2.289 1.00 0.00 H new ATOM 493 N GLU A 540 8.208 -3.038 5.178 1.00 0.00 N ATOM 494 CA GLU A 540 6.997 -2.890 5.976 1.00 0.00 C ATOM 495 C GLU A 540 7.219 -2.073 7.255 1.00 0.00 C ATOM 496 O GLU A 540 7.814 -2.544 8.223 1.00 0.00 O ATOM 497 CB GLU A 540 6.446 -4.275 6.308 1.00 0.00 C ATOM 498 CG GLU A 540 7.233 -5.010 7.380 1.00 0.00 C ATOM 499 CD GLU A 540 6.509 -5.053 8.712 1.00 0.00 C ATOM 500 OE1 GLU A 540 5.267 -5.188 8.708 1.00 0.00 O ATOM 501 OE2 GLU A 540 7.183 -4.951 9.758 1.00 0.00 O ATOM 0 H GLU A 540 8.308 -3.958 4.749 1.00 0.00 H new ATOM 0 HA GLU A 540 6.274 -2.330 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 540 5.411 -4.175 6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.436 -4.878 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.431 -6.028 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.200 -4.524 7.512 1.00 0.00 H new ATOM 508 N GLY A 541 6.706 -0.846 7.247 1.00 0.00 N ATOM 509 CA GLY A 541 6.817 0.023 8.406 1.00 0.00 C ATOM 510 C GLY A 541 7.870 1.106 8.278 1.00 0.00 C ATOM 511 O GLY A 541 7.948 1.994 9.128 1.00 0.00 O ATOM 0 H GLY A 541 6.213 -0.436 6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 541 5.850 0.493 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 541 7.044 -0.586 9.281 1.00 0.00 H new ATOM 515 N ILE A 542 8.685 1.047 7.235 1.00 0.00 N ATOM 516 CA ILE A 542 9.728 2.047 7.044 1.00 0.00 C ATOM 517 C ILE A 542 9.332 3.080 5.999 1.00 0.00 C ATOM 518 O ILE A 542 9.708 4.248 6.097 1.00 0.00 O ATOM 519 CB ILE A 542 11.063 1.404 6.631 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.357 0.185 7.504 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.193 2.419 6.727 1.00 0.00 C ATOM 522 CD1 ILE A 542 11.737 -1.035 6.705 1.00 0.00 C ATOM 0 H ILE A 542 8.647 0.326 6.514 1.00 0.00 H new ATOM 0 HA ILE A 542 9.854 2.544 8.006 1.00 0.00 H new ATOM 0 HB ILE A 542 10.986 1.075 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 542 12.165 0.426 8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 542 10.479 -0.042 8.108 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.131 1.948 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 542 11.984 3.259 6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.274 2.777 7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 542 11.933 -1.867 7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.920 -1.299 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 542 12.633 -0.823 6.121 1.00 0.00 H new ATOM 534 N TYR A 543 8.569 2.653 4.998 1.00 0.00 N ATOM 535 CA TYR A 543 8.131 3.567 3.941 1.00 0.00 C ATOM 536 C TYR A 543 7.342 2.841 2.841 1.00 0.00 C ATOM 537 O TYR A 543 6.161 2.543 3.017 1.00 0.00 O ATOM 538 CB TYR A 543 9.332 4.320 3.339 1.00 0.00 C ATOM 539 CG TYR A 543 10.634 3.542 3.362 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.653 2.163 3.195 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.847 4.195 3.551 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.841 1.457 3.216 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.039 3.495 3.572 1.00 0.00 C ATOM 544 CZ TYR A 543 13.030 2.128 3.404 1.00 0.00 C ATOM 545 OH TYR A 543 14.215 1.428 3.425 1.00 0.00 O ATOM 0 H TYR A 543 8.243 1.692 4.894 1.00 0.00 H new ATOM 0 HA TYR A 543 7.458 4.291 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.099 4.585 2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.471 5.253 3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.724 1.634 3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.858 5.267 3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.838 0.385 3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.973 4.017 3.719 1.00 0.00 H new ATOM 0 HH TYR A 543 14.960 2.049 3.566 1.00 0.00 H new ATOM 555 N ILE A 544 7.990 2.570 1.705 1.00 0.00 N ATOM 556 CA ILE A 544 7.335 1.899 0.585 1.00 0.00 C ATOM 557 C ILE A 544 6.672 0.599 1.022 1.00 0.00 C ATOM 558 O ILE A 544 5.450 0.503 1.072 1.00 0.00 O ATOM 559 CB ILE A 544 8.336 1.600 -0.547 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.184 2.839 -0.845 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.602 1.136 -1.797 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.667 2.618 -0.637 1.00 0.00 C ATOM 0 H ILE A 544 8.968 2.806 1.539 1.00 0.00 H new ATOM 0 HA ILE A 544 6.568 2.580 0.216 1.00 0.00 H new ATOM 0 HB ILE A 544 9.000 0.798 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.012 3.149 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.853 3.658 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.324 0.929 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.039 0.230 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.917 1.916 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.207 3.536 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.851 2.338 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.012 1.820 -1.295 1.00 0.00 H new ATOM 574 N GLU A 545 7.490 -0.396 1.345 1.00 0.00 N ATOM 575 CA GLU A 545 6.994 -1.694 1.789 1.00 0.00 C ATOM 576 C GLU A 545 6.315 -2.446 0.649 1.00 0.00 C ATOM 577 O GLU A 545 6.080 -1.892 -0.424 1.00 0.00 O ATOM 578 CB GLU A 545 6.015 -1.531 2.956 1.00 0.00 C ATOM 579 CG GLU A 545 6.353 -0.382 3.901 1.00 0.00 C ATOM 580 CD GLU A 545 5.114 0.288 4.466 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.018 -0.301 4.358 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.241 1.402 5.018 1.00 0.00 O ATOM 0 H GLU A 545 8.507 -0.328 1.307 1.00 0.00 H new ATOM 0 HA GLU A 545 7.853 -2.275 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.013 -1.375 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 545 5.989 -2.460 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.965 -0.758 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.952 0.358 3.369 1.00 0.00 H new ATOM 589 N GLY A 546 6.001 -3.715 0.895 1.00 0.00 N ATOM 590 CA GLY A 546 5.349 -4.530 -0.112 1.00 0.00 C ATOM 591 C GLY A 546 3.892 -4.158 -0.285 1.00 0.00 C ATOM 592 O GLY A 546 2.998 -4.915 0.092 1.00 0.00 O ATOM 0 H GLY A 546 6.188 -4.193 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.868 -4.415 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.424 -5.581 0.167 1.00 0.00 H new ATOM 596 N LEU A 547 3.656 -2.979 -0.847 1.00 0.00 N ATOM 597 CA LEU A 547 2.302 -2.489 -1.060 1.00 0.00 C ATOM 598 C LEU A 547 2.164 -1.853 -2.437 1.00 0.00 C ATOM 599 O LEU A 547 1.521 -0.816 -2.590 1.00 0.00 O ATOM 600 CB LEU A 547 1.954 -1.462 0.015 1.00 0.00 C ATOM 601 CG LEU A 547 2.978 -0.340 0.169 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.860 0.652 -0.978 1.00 0.00 C ATOM 603 CD2 LEU A 547 2.811 0.358 1.512 1.00 0.00 C ATOM 0 H LEU A 547 4.388 -2.343 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 547 1.616 -3.334 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 547 0.984 -1.023 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 547 1.849 -1.975 0.971 1.00 0.00 H new ATOM 0 HG LEU A 547 3.976 -0.777 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.598 1.444 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.038 0.139 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.860 1.085 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.550 1.154 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.809 0.783 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 547 2.954 -0.363 2.317 1.00 0.00 H new ATOM 615 N MET A 548 2.766 -2.474 -3.442 1.00 0.00 N ATOM 616 CA MET A 548 2.707 -1.954 -4.807 1.00 0.00 C ATOM 617 C MET A 548 1.293 -2.020 -5.376 1.00 0.00 C ATOM 618 O MET A 548 1.107 -2.224 -6.576 1.00 0.00 O ATOM 619 CB MET A 548 3.648 -2.727 -5.722 1.00 0.00 C ATOM 620 CG MET A 548 4.951 -3.158 -5.060 1.00 0.00 C ATOM 621 SD MET A 548 5.128 -4.952 -4.970 1.00 0.00 S ATOM 622 CE MET A 548 4.534 -5.274 -3.312 1.00 0.00 C ATOM 0 H MET A 548 3.301 -3.337 -3.341 1.00 0.00 H new ATOM 0 HA MET A 548 3.017 -0.910 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 548 3.131 -3.613 -6.091 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.881 -2.110 -6.589 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.791 -2.742 -5.616 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.997 -2.742 -4.054 1.00 0.00 H new ATOM 0 HE1 MET A 548 5.157 -6.037 -2.844 1.00 0.00 H new ATOM 0 HE2 MET A 548 4.580 -4.357 -2.724 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.503 -5.625 -3.357 1.00 0.00 H new ATOM 632 N HIS A 549 0.306 -1.837 -4.517 1.00 0.00 N ATOM 633 CA HIS A 549 -1.087 -1.862 -4.933 1.00 0.00 C ATOM 634 C HIS A 549 -1.710 -0.485 -4.753 1.00 0.00 C ATOM 635 O HIS A 549 -2.805 -0.216 -5.247 1.00 0.00 O ATOM 636 CB HIS A 549 -1.861 -2.906 -4.123 1.00 0.00 C ATOM 637 CG HIS A 549 -1.039 -4.107 -3.770 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.481 -4.937 -4.718 1.00 0.00 N ATOM 639 CD2 HIS A 549 -0.661 -4.605 -2.568 1.00 0.00 C ATOM 640 CE1 HIS A 549 0.204 -5.892 -4.115 1.00 0.00 C ATOM 641 NE2 HIS A 549 0.110 -5.714 -2.811 1.00 0.00 N ATOM 0 H HIS A 549 0.444 -1.668 -3.521 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.136 -2.133 -5.988 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.231 -2.445 -3.207 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.733 -3.226 -4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -0.919 -4.204 -1.599 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.749 -6.685 -4.606 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.540 -6.305 -2.099 1.00 0.00 H new ATOM 650 N ASN A 550 -0.993 0.387 -4.044 1.00 0.00 N ATOM 651 CA ASN A 550 -1.453 1.754 -3.792 1.00 0.00 C ATOM 652 C ASN A 550 -2.726 1.793 -2.934 1.00 0.00 C ATOM 653 O ASN A 550 -2.999 2.798 -2.277 1.00 0.00 O ATOM 654 CB ASN A 550 -1.690 2.479 -5.120 1.00 0.00 C ATOM 655 CG ASN A 550 -0.413 3.056 -5.713 1.00 0.00 C ATOM 656 OD1 ASN A 550 0.724 2.419 -5.435 1.00 0.00 O flip ATOM 657 ND2 ASN A 550 -0.447 4.068 -6.414 1.00 0.00 N flip ATOM 0 H ASN A 550 -0.086 0.170 -3.632 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.670 2.263 -3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.135 1.785 -5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.409 3.283 -4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -1.338 4.527 -6.604 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.416 4.447 -6.805 1.00 0.00 H new ATOM 664 N GLN A 551 -3.501 0.706 -2.938 1.00 0.00 N ATOM 665 CA GLN A 551 -4.732 0.625 -2.162 1.00 0.00 C ATOM 666 C GLN A 551 -5.857 1.397 -2.832 1.00 0.00 C ATOM 667 O GLN A 551 -5.736 2.591 -3.110 1.00 0.00 O ATOM 668 CB GLN A 551 -4.518 1.124 -0.737 1.00 0.00 C ATOM 669 CG GLN A 551 -3.289 0.531 -0.075 1.00 0.00 C ATOM 670 CD GLN A 551 -3.256 0.769 1.423 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.123 1.904 1.881 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.379 -0.304 2.195 1.00 0.00 N ATOM 0 H GLN A 551 -3.292 -0.135 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.021 -0.425 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.428 2.210 -0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.397 0.883 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.259 -0.541 -0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.395 0.961 -0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.487 -1.226 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.365 -0.206 3.210 1.00 0.00 H new ATOM 681 N ASP A 552 -6.947 0.693 -3.092 1.00 0.00 N ATOM 682 CA ASP A 552 -8.114 1.283 -3.739 1.00 0.00 C ATOM 683 C ASP A 552 -9.393 0.526 -3.381 1.00 0.00 C ATOM 684 O ASP A 552 -10.112 0.054 -4.263 1.00 0.00 O ATOM 685 CB ASP A 552 -7.922 1.297 -5.257 1.00 0.00 C ATOM 686 CG ASP A 552 -8.479 2.553 -5.899 1.00 0.00 C ATOM 687 OD1 ASP A 552 -8.291 3.646 -5.325 1.00 0.00 O ATOM 688 OD2 ASP A 552 -9.102 2.444 -6.977 1.00 0.00 O ATOM 0 H ASP A 552 -7.050 -0.296 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.216 2.306 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -6.860 1.215 -5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.410 0.424 -5.690 1.00 0.00 H new ATOM 693 N GLY A 553 -9.682 0.423 -2.085 1.00 0.00 N ATOM 694 CA GLY A 553 -10.883 -0.265 -1.647 1.00 0.00 C ATOM 695 C GLY A 553 -10.766 -1.775 -1.730 1.00 0.00 C ATOM 696 O GLY A 553 -11.660 -2.447 -2.245 1.00 0.00 O ATOM 0 H GLY A 553 -9.107 0.803 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.104 0.021 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.725 0.062 -2.257 1.00 0.00 H new ATOM 700 N LEU A 554 -9.664 -2.311 -1.217 1.00 0.00 N ATOM 701 CA LEU A 554 -9.436 -3.753 -1.229 1.00 0.00 C ATOM 702 C LEU A 554 -9.536 -4.333 0.179 1.00 0.00 C ATOM 703 O LEU A 554 -9.754 -5.532 0.354 1.00 0.00 O ATOM 704 CB LEU A 554 -8.059 -4.068 -1.810 1.00 0.00 C ATOM 705 CG LEU A 554 -7.679 -3.264 -3.054 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.324 -3.709 -3.580 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.748 -3.413 -4.126 1.00 0.00 C ATOM 0 H LEU A 554 -8.914 -1.769 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.206 -4.208 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.308 -3.892 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.020 -5.129 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.610 -2.211 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.068 -3.127 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.566 -3.553 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.364 -4.767 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.464 -2.835 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.846 -4.464 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.701 -3.047 -3.743 1.00 0.00 H new ATOM 719 N ILE A 555 -9.362 -3.474 1.176 1.00 0.00 N ATOM 720 CA ILE A 555 -9.417 -3.893 2.568 1.00 0.00 C ATOM 721 C ILE A 555 -10.667 -3.355 3.260 1.00 0.00 C ATOM 722 O ILE A 555 -11.129 -3.916 4.252 1.00 0.00 O ATOM 723 CB ILE A 555 -8.164 -3.424 3.330 1.00 0.00 C ATOM 724 CG1 ILE A 555 -6.900 -3.739 2.525 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.102 -4.079 4.695 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.068 -2.518 2.210 1.00 0.00 C ATOM 0 H ILE A 555 -9.181 -2.479 1.044 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.455 -4.982 2.578 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.224 -2.344 3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.291 -4.450 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.184 -4.226 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.211 -3.738 5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.989 -3.809 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.062 -5.162 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.189 -2.815 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.661 -1.815 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -5.753 -2.043 3.139 1.00 0.00 H new ATOM 738 N CYS A 556 -11.214 -2.267 2.724 1.00 0.00 N ATOM 739 CA CYS A 556 -12.418 -1.655 3.283 1.00 0.00 C ATOM 740 C CYS A 556 -13.674 -2.295 2.707 1.00 0.00 C ATOM 741 O CYS A 556 -14.717 -1.652 2.590 1.00 0.00 O ATOM 742 CB CYS A 556 -12.420 -0.146 3.013 1.00 0.00 C ATOM 743 SG CYS A 556 -13.348 0.868 4.224 1.00 0.00 S ATOM 0 H CYS A 556 -10.843 -1.790 1.902 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.415 -1.822 4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.388 0.203 2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.839 0.028 2.022 1.00 0.00 H new ATOM 748 N GLY A 557 -13.560 -3.565 2.354 1.00 0.00 N ATOM 749 CA GLY A 557 -14.668 -4.290 1.799 1.00 0.00 C ATOM 750 C GLY A 557 -14.186 -5.530 1.094 1.00 0.00 C ATOM 751 O GLY A 557 -13.485 -6.354 1.682 1.00 0.00 O ATOM 0 H GLY A 557 -12.702 -4.109 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.365 -4.563 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.212 -3.655 1.100 1.00 0.00 H new ATOM 755 N LEU A 558 -14.541 -5.651 -0.167 1.00 0.00 N ATOM 756 CA LEU A 558 -14.134 -6.793 -0.967 1.00 0.00 C ATOM 757 C LEU A 558 -14.104 -6.425 -2.447 1.00 0.00 C ATOM 758 O LEU A 558 -13.213 -6.845 -3.185 1.00 0.00 O ATOM 759 CB LEU A 558 -15.080 -7.976 -0.731 1.00 0.00 C ATOM 760 CG LEU A 558 -15.921 -7.909 0.551 1.00 0.00 C ATOM 761 CD1 LEU A 558 -17.165 -8.773 0.413 1.00 0.00 C ATOM 762 CD2 LEU A 558 -15.098 -8.339 1.760 1.00 0.00 C ATOM 0 H LEU A 558 -15.114 -4.970 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.129 -7.086 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -15.755 -8.053 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.489 -8.892 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.233 -6.876 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -17.752 -8.715 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -17.765 -8.416 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -16.872 -9.807 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -15.714 -8.284 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.753 -9.363 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.238 -7.678 1.869 1.00 0.00 H new ATOM 774 N ARG A 559 -15.081 -5.630 -2.871 1.00 0.00 N ATOM 775 CA ARG A 559 -15.170 -5.193 -4.258 1.00 0.00 C ATOM 776 C ARG A 559 -15.550 -3.718 -4.333 1.00 0.00 C ATOM 777 O ARG A 559 -16.397 -3.323 -5.136 1.00 0.00 O ATOM 778 CB ARG A 559 -16.193 -6.037 -5.017 1.00 0.00 C ATOM 779 CG ARG A 559 -17.455 -6.323 -4.221 1.00 0.00 C ATOM 780 CD ARG A 559 -18.668 -6.447 -5.129 1.00 0.00 C ATOM 781 NE ARG A 559 -19.884 -5.954 -4.489 1.00 0.00 N ATOM 782 CZ ARG A 559 -20.199 -4.665 -4.386 1.00 0.00 C ATOM 783 NH1 ARG A 559 -19.389 -3.736 -4.880 1.00 0.00 N ATOM 784 NH2 ARG A 559 -21.325 -4.303 -3.787 1.00 0.00 N ATOM 0 H ARG A 559 -15.825 -5.274 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.192 -5.324 -4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.464 -5.523 -5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.732 -6.982 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.328 -7.245 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.620 -5.524 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -18.491 -5.889 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.805 -7.491 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 559 -20.531 -6.638 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -18.521 -4.009 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -19.635 -2.749 -4.799 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.950 -5.012 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -21.566 -3.315 -3.708 1.00 0.00 H new ATOM 798 N GLN A 560 -14.919 -2.908 -3.487 1.00 0.00 N ATOM 799 CA GLN A 560 -15.186 -1.470 -3.444 1.00 0.00 C ATOM 800 C GLN A 560 -15.231 -0.875 -4.850 1.00 0.00 C ATOM 801 O GLN A 560 -15.791 0.230 -5.006 1.00 0.00 O ATOM 802 CB GLN A 560 -14.117 -0.750 -2.613 1.00 0.00 C ATOM 803 CG GLN A 560 -14.108 -1.128 -1.135 1.00 0.00 C ATOM 804 CD GLN A 560 -15.500 -1.338 -0.566 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.048 -2.531 -0.772 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.075 -0.439 0.047 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -14.703 -1.518 -5.781 1.00 0.00 O ATOM 0 H GLN A 560 -14.216 -3.223 -2.819 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.160 -1.328 -2.976 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.137 -0.968 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.270 0.326 -2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.526 -2.040 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.605 -0.344 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.615 0.462 0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.011 -0.595 0.421 1.00 0.00 H new