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= -5.26! C(o=-5.9!,f=-11!) USER MOD Set 1.2: A 550 ASN : amide:sc= -0.598 X(o=-5.9,f=-5.7) USER MOD Set 2.1: A 512 ASN :FLIP amide:sc= -0.442 F(o=-2.8,f=-0.55) USER MOD Set 2.2: A 516 HIS :FLIP no HD1:sc= -0.113 X(o=-0.68,f=-0.55) USER MOD Single : A 508 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -3.72! C(o=-3.7!,f=-5.4!) 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 -118:sc= -0.945 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 -140:sc= -3.67 (180deg=-6.01!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 551 GLN : amide:sc= -2.31 K(o=-2.3,f=-10!) USER MOD Single : A 560 GLN :FLIP amide:sc= -2.84 F(o=-6.4!,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -9.174 -11.035 -1.368 1.00 0.00 N ATOM 2 CA ALA A 507 -10.030 -10.299 -0.402 1.00 0.00 C ATOM 3 C ALA A 507 -9.344 -10.177 0.954 1.00 0.00 C ATOM 4 O ALA A 507 -8.352 -10.854 1.223 1.00 0.00 O ATOM 5 CB ALA A 507 -11.374 -10.994 -0.253 1.00 0.00 C ATOM 0 HA ALA A 507 -10.194 -9.294 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -11.991 -10.444 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -11.876 -11.027 -1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -11.220 -12.010 0.110 1.00 0.00 H new ATOM 13 N GLN A 508 -9.881 -9.308 1.807 1.00 0.00 N ATOM 14 CA GLN A 508 -9.320 -9.097 3.138 1.00 0.00 C ATOM 15 C GLN A 508 -10.142 -8.068 3.916 1.00 0.00 C ATOM 16 O GLN A 508 -10.372 -6.959 3.436 1.00 0.00 O ATOM 17 CB GLN A 508 -7.864 -8.634 3.039 1.00 0.00 C ATOM 18 CG GLN A 508 -7.607 -7.643 1.914 1.00 0.00 C ATOM 19 CD GLN A 508 -6.151 -7.601 1.494 1.00 0.00 C ATOM 20 OE1 GLN A 508 -5.836 -7.544 0.306 1.00 0.00 O ATOM 21 NE2 GLN A 508 -5.253 -7.630 2.472 1.00 0.00 N ATOM 0 H GLN A 508 -10.702 -8.740 1.600 1.00 0.00 H new ATOM 0 HA GLN A 508 -9.353 -10.046 3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -7.573 -8.178 3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -7.225 -9.505 2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -8.222 -7.908 1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -7.918 -6.648 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -5.559 -7.677 3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -4.257 -7.605 2.251 1.00 0.00 H new ATOM 30 N PRO A 509 -10.608 -8.426 5.127 1.00 0.00 N ATOM 31 CA PRO A 509 -11.412 -7.546 5.965 1.00 0.00 C ATOM 32 C PRO A 509 -10.572 -6.764 6.970 1.00 0.00 C ATOM 33 O PRO A 509 -9.825 -7.345 7.753 1.00 0.00 O ATOM 34 CB PRO A 509 -12.287 -8.549 6.690 1.00 0.00 C ATOM 35 CG PRO A 509 -11.338 -9.653 6.982 1.00 0.00 C ATOM 36 CD PRO A 509 -10.410 -9.732 5.787 1.00 0.00 C ATOM 0 HA PRO A 509 -11.944 -6.783 5.396 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.715 -8.130 7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.120 -8.883 6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -10.780 -9.456 7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -11.867 -10.595 7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -9.373 -9.878 6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -10.670 -10.561 5.128 1.00 0.00 H new ATOM 44 N LYS A 510 -10.718 -5.451 6.937 1.00 0.00 N ATOM 45 CA LYS A 510 -10.000 -4.551 7.832 1.00 0.00 C ATOM 46 C LYS A 510 -10.474 -3.119 7.628 1.00 0.00 C ATOM 47 O LYS A 510 -10.656 -2.364 8.584 1.00 0.00 O ATOM 48 CB LYS A 510 -8.497 -4.645 7.586 1.00 0.00 C ATOM 49 CG LYS A 510 -7.809 -5.635 8.501 1.00 0.00 C ATOM 50 CD LYS A 510 -6.723 -6.410 7.771 1.00 0.00 C ATOM 51 CE LYS A 510 -7.150 -7.842 7.488 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.009 -8.682 7.032 1.00 0.00 N ATOM 0 H LYS A 510 -11.341 -4.973 6.286 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.205 -4.848 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.321 -4.934 6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.050 -3.660 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.372 -5.106 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.545 -6.331 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.486 -5.908 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -5.812 -6.413 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -7.583 -8.276 8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.930 -7.844 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.342 -9.650 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -5.611 -8.282 6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -5.276 -8.701 7.769 1.00 0.00 H new ATOM 66 N CYS A 511 -10.669 -2.768 6.369 1.00 0.00 N ATOM 67 CA CYS A 511 -11.126 -1.439 5.982 1.00 0.00 C ATOM 68 C CYS A 511 -10.029 -0.405 6.168 1.00 0.00 C ATOM 69 O CYS A 511 -10.273 0.704 6.644 1.00 0.00 O ATOM 70 CB CYS A 511 -12.387 -1.040 6.751 1.00 0.00 C ATOM 71 SG CYS A 511 -13.913 -1.137 5.755 1.00 0.00 S ATOM 0 H CYS A 511 -10.515 -3.397 5.581 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.378 -1.474 4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.490 -1.686 7.623 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.269 -0.022 7.122 1.00 0.00 H new ATOM 76 N ASN A 512 -8.824 -0.770 5.757 1.00 0.00 N ATOM 77 CA ASN A 512 -7.687 0.128 5.840 1.00 0.00 C ATOM 78 C ASN A 512 -6.947 0.182 4.502 1.00 0.00 C ATOM 79 O ASN A 512 -5.717 0.220 4.469 1.00 0.00 O ATOM 80 CB ASN A 512 -6.729 -0.309 6.951 1.00 0.00 C ATOM 81 CG ASN A 512 -5.990 0.862 7.576 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.598 1.832 6.753 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -5.771 0.895 8.787 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.610 -1.686 5.362 1.00 0.00 H new ATOM 0 HA ASN A 512 -8.061 1.124 6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.290 -0.835 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.006 -1.016 6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -6.088 0.131 9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -5.272 1.686 9.194 1.00 0.00 H new ATOM 90 N PRO A 513 -7.686 0.181 3.376 1.00 0.00 N ATOM 91 CA PRO A 513 -7.084 0.223 2.044 1.00 0.00 C ATOM 92 C PRO A 513 -6.667 1.641 1.628 1.00 0.00 C ATOM 93 O PRO A 513 -5.614 2.123 2.042 1.00 0.00 O ATOM 94 CB PRO A 513 -8.210 -0.313 1.164 1.00 0.00 C ATOM 95 CG PRO A 513 -9.442 0.197 1.824 1.00 0.00 C ATOM 96 CD PRO A 513 -9.163 0.129 3.301 1.00 0.00 C ATOM 0 HA PRO A 513 -6.159 -0.350 1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.125 0.049 0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.200 -1.402 1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.660 1.218 1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.309 -0.409 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.622 0.961 3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.555 -0.787 3.742 1.00 0.00 H new ATOM 104 N ASN A 514 -7.478 2.301 0.795 1.00 0.00 N ATOM 105 CA ASN A 514 -7.157 3.642 0.327 1.00 0.00 C ATOM 106 C ASN A 514 -7.544 4.713 1.348 1.00 0.00 C ATOM 107 O ASN A 514 -7.467 5.906 1.061 1.00 0.00 O ATOM 108 CB ASN A 514 -7.847 3.909 -1.014 1.00 0.00 C ATOM 109 CG ASN A 514 -9.336 4.176 -0.878 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.757 5.053 -0.124 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.142 3.422 -1.615 1.00 0.00 N ATOM 0 H ASN A 514 -8.356 1.926 0.436 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.076 3.696 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.373 4.765 -1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.697 3.051 -1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.152 3.559 -1.569 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.752 2.706 -2.227 1.00 0.00 H new ATOM 118 N LEU A 515 -7.953 4.291 2.538 1.00 0.00 N ATOM 119 CA LEU A 515 -8.333 5.234 3.579 1.00 0.00 C ATOM 120 C LEU A 515 -7.192 5.412 4.570 1.00 0.00 C ATOM 121 O LEU A 515 -7.390 5.397 5.786 1.00 0.00 O ATOM 122 CB LEU A 515 -9.602 4.758 4.286 1.00 0.00 C ATOM 123 CG LEU A 515 -10.830 4.644 3.377 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.968 5.889 2.509 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.736 3.398 2.507 1.00 0.00 C ATOM 0 H LEU A 515 -8.029 3.309 2.804 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.541 6.201 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.408 3.785 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.830 5.447 5.099 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.717 4.560 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.845 5.791 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.079 6.766 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.078 6.001 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.617 3.333 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.841 3.454 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.683 2.514 3.142 1.00 0.00 H new ATOM 137 N HIS A 516 -5.991 5.576 4.023 1.00 0.00 N ATOM 138 CA HIS A 516 -4.782 5.757 4.819 1.00 0.00 C ATOM 139 C HIS A 516 -3.552 5.676 3.922 1.00 0.00 C ATOM 140 O HIS A 516 -2.552 6.354 4.157 1.00 0.00 O ATOM 141 CB HIS A 516 -4.697 4.700 5.924 1.00 0.00 C ATOM 142 CG HIS A 516 -4.826 5.266 7.304 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.233 6.338 7.882 1.00 0.00 N flip ATOM 144 CD2 HIS A 516 -5.644 4.717 8.270 1.00 0.00 C flip ATOM 145 CE1 HIS A 516 -4.700 6.415 9.171 1.00 0.00 C flip ATOM 146 NE2 HIS A 516 -5.550 5.427 9.380 1.00 0.00 N flip ATOM 0 H HIS A 516 -5.829 5.587 3.016 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.820 6.741 5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.482 3.960 5.769 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.744 4.176 5.842 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -6.265 3.843 8.139 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -4.417 7.163 9.897 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -6.049 5.243 10.250 1.00 0.00 H new ATOM 155 N TYR A 517 -3.643 4.837 2.891 1.00 0.00 N ATOM 156 CA TYR A 517 -2.553 4.642 1.931 1.00 0.00 C ATOM 157 C TYR A 517 -1.833 5.960 1.622 1.00 0.00 C ATOM 158 O TYR A 517 -0.607 5.999 1.508 1.00 0.00 O ATOM 159 CB TYR A 517 -3.103 4.012 0.641 1.00 0.00 C ATOM 160 CG TYR A 517 -3.793 4.994 -0.288 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.896 5.724 0.136 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.342 5.187 -1.589 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.531 6.617 -0.706 1.00 0.00 C ATOM 164 CE2 TYR A 517 -3.971 6.078 -2.437 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.065 6.790 -1.992 1.00 0.00 C ATOM 166 OH TYR A 517 -5.694 7.678 -2.834 1.00 0.00 O ATOM 0 H TYR A 517 -4.471 4.274 2.696 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.822 3.968 2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.282 3.537 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.808 3.224 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.264 5.591 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.486 4.631 -1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.387 7.176 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.607 6.216 -3.444 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.241 7.682 -3.703 1.00 0.00 H new ATOM 176 N TRP A 518 -2.608 7.033 1.502 1.00 0.00 N ATOM 177 CA TRP A 518 -2.065 8.360 1.219 1.00 0.00 C ATOM 178 C TRP A 518 -1.245 8.867 2.399 1.00 0.00 C ATOM 179 O TRP A 518 -1.724 9.666 3.204 1.00 0.00 O ATOM 180 CB TRP A 518 -3.209 9.334 0.935 1.00 0.00 C ATOM 181 CG TRP A 518 -4.349 9.186 1.899 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.282 8.700 3.174 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.723 9.511 1.665 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.527 8.704 3.747 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.430 9.201 2.843 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.421 10.036 0.578 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.804 9.399 2.960 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.785 10.232 0.694 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.463 9.916 1.877 1.00 0.00 C ATOM 0 H TRP A 518 -3.623 7.010 1.597 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.416 8.291 0.346 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.831 10.355 0.980 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.574 9.174 -0.080 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.379 8.362 3.660 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.746 8.389 4.692 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.906 10.285 -0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.330 9.154 3.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.336 10.636 -0.142 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.528 10.083 1.937 1.00 0.00 H new ATOM 200 N THR A 519 -0.012 8.394 2.506 1.00 0.00 N ATOM 201 CA THR A 519 0.858 8.793 3.601 1.00 0.00 C ATOM 202 C THR A 519 2.297 8.397 3.319 1.00 0.00 C ATOM 203 O THR A 519 3.201 9.233 3.312 1.00 0.00 O ATOM 204 CB THR A 519 0.375 8.136 4.889 1.00 0.00 C ATOM 205 OG1 THR A 519 1.317 8.305 5.932 1.00 0.00 O ATOM 206 CG2 THR A 519 0.108 6.654 4.738 1.00 0.00 C ATOM 0 H THR A 519 0.407 7.735 1.850 1.00 0.00 H new ATOM 0 HA THR A 519 0.822 9.877 3.706 1.00 0.00 H new ATOM 0 HB THR A 519 -0.563 8.635 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.983 7.876 6.747 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.233 6.247 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.660 6.498 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.025 6.148 4.434 1.00 0.00 H new ATOM 214 N THR A 520 2.493 7.113 3.067 1.00 0.00 N ATOM 215 CA THR A 520 3.808 6.580 2.756 1.00 0.00 C ATOM 216 C THR A 520 3.777 5.903 1.390 1.00 0.00 C ATOM 217 O THR A 520 4.814 5.510 0.856 1.00 0.00 O ATOM 218 CB THR A 520 4.263 5.592 3.835 1.00 0.00 C ATOM 219 OG1 THR A 520 5.627 5.259 3.661 1.00 0.00 O ATOM 220 CG2 THR A 520 3.476 4.298 3.851 1.00 0.00 C ATOM 0 H THR A 520 1.749 6.415 3.072 1.00 0.00 H new ATOM 0 HA THR A 520 4.524 7.402 2.730 1.00 0.00 H new ATOM 0 HB THR A 520 4.092 6.107 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.710 4.298 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.856 3.651 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.424 4.514 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.581 3.796 2.889 1.00 0.00 H new ATOM 228 N GLN A 521 2.575 5.778 0.826 1.00 0.00 N ATOM 229 CA GLN A 521 2.409 5.161 -0.475 1.00 0.00 C ATOM 230 C GLN A 521 2.370 6.230 -1.562 1.00 0.00 C ATOM 231 O GLN A 521 2.923 6.065 -2.646 1.00 0.00 O ATOM 232 CB GLN A 521 1.137 4.298 -0.498 1.00 0.00 C ATOM 233 CG GLN A 521 -0.095 5.005 -1.043 1.00 0.00 C ATOM 234 CD GLN A 521 -0.121 5.052 -2.557 1.00 0.00 C ATOM 235 OE1 GLN A 521 0.105 4.044 -3.227 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.399 6.228 -3.103 1.00 0.00 N ATOM 0 H GLN A 521 1.707 6.098 1.256 1.00 0.00 H new ATOM 0 HA GLN A 521 3.260 4.509 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.327 3.410 -1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.926 3.957 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.989 4.496 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.128 6.022 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.580 7.037 -2.508 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.432 6.324 -4.118 1.00 0.00 H new ATOM 245 N ASP A 522 1.724 7.333 -1.244 1.00 0.00 N ATOM 246 CA ASP A 522 1.615 8.458 -2.167 1.00 0.00 C ATOM 247 C ASP A 522 2.796 9.407 -2.001 1.00 0.00 C ATOM 248 O ASP A 522 2.860 10.463 -2.629 1.00 0.00 O ATOM 249 CB ASP A 522 0.308 9.208 -1.927 1.00 0.00 C ATOM 250 CG ASP A 522 -0.394 9.581 -3.219 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.117 10.466 -3.938 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.454 8.989 -3.511 1.00 0.00 O ATOM 0 H ASP A 522 1.261 7.480 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 522 1.623 8.069 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.356 8.590 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.512 10.113 -1.354 1.00 0.00 H new ATOM 257 N GLU A 523 3.724 9.010 -1.146 1.00 0.00 N ATOM 258 CA GLU A 523 4.921 9.791 -0.865 1.00 0.00 C ATOM 259 C GLU A 523 6.134 8.873 -0.832 1.00 0.00 C ATOM 260 O GLU A 523 7.261 9.292 -1.093 1.00 0.00 O ATOM 261 CB GLU A 523 4.766 10.523 0.467 1.00 0.00 C ATOM 262 CG GLU A 523 3.321 10.858 0.799 1.00 0.00 C ATOM 263 CD GLU A 523 3.189 12.073 1.696 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.793 13.118 1.374 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.483 11.980 2.721 1.00 0.00 O ATOM 0 H GLU A 523 3.670 8.135 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 523 5.062 10.532 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.182 9.907 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.349 11.444 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.772 11.034 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.857 10.000 1.286 1.00 0.00 H new ATOM 272 N GLY A 524 5.877 7.608 -0.527 1.00 0.00 N ATOM 273 CA GLY A 524 6.925 6.616 -0.482 1.00 0.00 C ATOM 274 C GLY A 524 6.723 5.553 -1.545 1.00 0.00 C ATOM 275 O GLY A 524 7.683 4.954 -2.026 1.00 0.00 O ATOM 0 H GLY A 524 4.947 7.251 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.892 7.098 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.945 6.149 0.503 1.00 0.00 H new ATOM 279 N ALA A 525 5.463 5.333 -1.920 1.00 0.00 N ATOM 280 CA ALA A 525 5.129 4.349 -2.942 1.00 0.00 C ATOM 281 C ALA A 525 4.758 5.036 -4.249 1.00 0.00 C ATOM 282 O ALA A 525 4.002 4.498 -5.057 1.00 0.00 O ATOM 283 CB ALA A 525 3.990 3.458 -2.464 1.00 0.00 C ATOM 0 H ALA A 525 4.659 5.824 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 525 6.006 3.727 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.751 2.728 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.292 2.938 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.112 4.070 -2.258 1.00 0.00 H new ATOM 289 N ALA A 526 5.284 6.240 -4.434 1.00 0.00 N ATOM 290 CA ALA A 526 4.998 7.025 -5.633 1.00 0.00 C ATOM 291 C ALA A 526 6.199 7.847 -6.103 1.00 0.00 C ATOM 292 O ALA A 526 6.133 8.508 -7.139 1.00 0.00 O ATOM 293 CB ALA A 526 3.821 7.945 -5.368 1.00 0.00 C ATOM 0 H ALA A 526 5.911 6.696 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 526 4.760 6.321 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.608 8.530 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.946 7.350 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.062 8.616 -4.544 1.00 0.00 H new ATOM 299 N ILE A 527 7.286 7.820 -5.342 1.00 0.00 N ATOM 300 CA ILE A 527 8.478 8.582 -5.692 1.00 0.00 C ATOM 301 C ILE A 527 9.734 7.730 -5.551 1.00 0.00 C ATOM 302 O ILE A 527 10.495 7.566 -6.504 1.00 0.00 O ATOM 303 CB ILE A 527 8.623 9.850 -4.815 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.557 9.874 -3.707 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.543 11.104 -5.676 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.215 10.432 -4.142 1.00 0.00 C ATOM 0 H ILE A 527 7.367 7.280 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 527 8.363 8.886 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 527 9.602 9.827 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.412 8.859 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.931 10.468 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.647 11.986 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.345 11.090 -6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.580 11.134 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.523 10.412 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.342 11.459 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.815 9.826 -4.955 1.00 0.00 H new ATOM 318 N GLY A 528 9.946 7.188 -4.356 1.00 0.00 N ATOM 319 CA GLY A 528 11.110 6.357 -4.116 1.00 0.00 C ATOM 320 C GLY A 528 10.983 4.993 -4.763 1.00 0.00 C ATOM 321 O GLY A 528 11.522 4.759 -5.845 1.00 0.00 O ATOM 0 H GLY A 528 9.332 7.310 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.998 6.859 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 528 11.253 6.236 -3.042 1.00 0.00 H new ATOM 325 N LEU A 529 10.264 4.092 -4.104 1.00 0.00 N ATOM 326 CA LEU A 529 10.063 2.748 -4.631 1.00 0.00 C ATOM 327 C LEU A 529 8.609 2.312 -4.468 1.00 0.00 C ATOM 328 O LEU A 529 7.807 3.019 -3.863 1.00 0.00 O ATOM 329 CB LEU A 529 10.995 1.753 -3.937 1.00 0.00 C ATOM 330 CG LEU A 529 12.436 1.740 -4.453 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.148 3.035 -4.090 1.00 0.00 C ATOM 332 CD2 LEU A 529 13.190 0.539 -3.896 1.00 0.00 C ATOM 0 H LEU A 529 9.812 4.267 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 529 10.300 2.764 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.010 1.977 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 529 10.578 0.752 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 529 12.411 1.658 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.171 3.006 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.621 3.878 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 529 13.163 3.151 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 529 14.213 0.545 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 529 13.204 0.591 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 529 12.693 -0.379 -4.209 1.00 0.00 H new ATOM 344 N ALA A 530 8.289 1.145 -5.031 1.00 0.00 N ATOM 345 CA ALA A 530 6.937 0.564 -4.998 1.00 0.00 C ATOM 346 C ALA A 530 6.659 -0.161 -6.311 1.00 0.00 C ATOM 347 O ALA A 530 5.784 -1.021 -6.398 1.00 0.00 O ATOM 348 CB ALA A 530 5.869 1.627 -4.772 1.00 0.00 C ATOM 0 H ALA A 530 8.966 0.567 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 530 6.897 -0.136 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 530 4.886 1.157 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.049 2.127 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 530 5.907 2.358 -5.579 1.00 0.00 H new ATOM 354 N TRP A 531 7.425 0.213 -7.325 1.00 0.00 N ATOM 355 CA TRP A 531 7.315 -0.360 -8.663 1.00 0.00 C ATOM 356 C TRP A 531 8.222 -1.581 -8.803 1.00 0.00 C ATOM 357 O TRP A 531 8.427 -2.090 -9.904 1.00 0.00 O ATOM 358 CB TRP A 531 7.709 0.701 -9.700 1.00 0.00 C ATOM 359 CG TRP A 531 8.565 1.777 -9.111 1.00 0.00 C ATOM 360 CD1 TRP A 531 9.871 1.665 -8.740 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.162 3.109 -8.776 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.307 2.843 -8.193 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.280 3.751 -8.211 1.00 0.00 C ATOM 364 CE3 TRP A 531 6.967 3.825 -8.904 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.237 5.073 -7.772 1.00 0.00 C ATOM 366 CZ3 TRP A 531 6.926 5.135 -8.468 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.054 5.750 -7.908 1.00 0.00 C ATOM 0 H TRP A 531 8.147 0.929 -7.244 1.00 0.00 H new ATOM 0 HA TRP A 531 6.285 -0.676 -8.829 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.243 0.223 -10.521 1.00 0.00 H new ATOM 0 HB3 TRP A 531 6.808 1.146 -10.122 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.474 0.777 -8.860 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.245 3.017 -7.831 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.092 3.362 -9.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.106 5.547 -7.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.008 5.696 -8.560 1.00 0.00 H new ATOM 0 HH2 TRP A 531 7.989 6.776 -7.578 1.00 0.00 H new ATOM 378 N ILE A 532 8.772 -2.043 -7.680 1.00 0.00 N ATOM 379 CA ILE A 532 9.664 -3.196 -7.685 1.00 0.00 C ATOM 380 C ILE A 532 9.376 -4.129 -6.503 1.00 0.00 C ATOM 381 O ILE A 532 9.611 -3.775 -5.348 1.00 0.00 O ATOM 382 CB ILE A 532 11.151 -2.758 -7.661 1.00 0.00 C ATOM 383 CG1 ILE A 532 11.525 -2.121 -6.321 1.00 0.00 C ATOM 384 CG2 ILE A 532 11.429 -1.771 -8.786 1.00 0.00 C ATOM 385 CD1 ILE A 532 10.759 -0.852 -6.029 1.00 0.00 C ATOM 0 H ILE A 532 8.614 -1.636 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 532 9.477 -3.741 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 532 11.759 -3.652 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.343 -2.839 -5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.593 -1.902 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 532 12.477 -1.472 -8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.212 -2.242 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 532 10.797 -0.891 -8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 532 11.072 -0.452 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 532 10.960 -0.118 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 532 9.691 -1.069 -6.002 1.00 0.00 H new ATOM 397 N PRO A 533 8.848 -5.335 -6.774 1.00 0.00 N ATOM 398 CA PRO A 533 8.526 -6.307 -5.733 1.00 0.00 C ATOM 399 C PRO A 533 9.720 -7.180 -5.358 1.00 0.00 C ATOM 400 O PRO A 533 10.089 -8.086 -6.106 1.00 0.00 O ATOM 401 CB PRO A 533 7.441 -7.149 -6.395 1.00 0.00 C ATOM 402 CG PRO A 533 7.810 -7.158 -7.841 1.00 0.00 C ATOM 403 CD PRO A 533 8.512 -5.849 -8.117 1.00 0.00 C ATOM 0 HA PRO A 533 8.224 -5.832 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 533 7.416 -8.159 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 533 6.452 -6.717 -6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.461 -8.002 -8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 533 6.923 -7.261 -8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 533 9.406 -5.995 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 533 7.868 -5.157 -8.660 1.00 0.00 H new ATOM 411 N TYR A 534 10.321 -6.916 -4.199 1.00 0.00 N ATOM 412 CA TYR A 534 11.467 -7.702 -3.753 1.00 0.00 C ATOM 413 C TYR A 534 11.793 -7.452 -2.283 1.00 0.00 C ATOM 414 O TYR A 534 11.898 -8.395 -1.498 1.00 0.00 O ATOM 415 CB TYR A 534 12.684 -7.419 -4.637 1.00 0.00 C ATOM 416 CG TYR A 534 13.470 -6.178 -4.264 1.00 0.00 C ATOM 417 CD1 TYR A 534 14.436 -6.220 -3.267 1.00 0.00 C ATOM 418 CD2 TYR A 534 13.253 -4.968 -4.914 1.00 0.00 C ATOM 419 CE1 TYR A 534 15.162 -5.095 -2.927 1.00 0.00 C ATOM 420 CE2 TYR A 534 13.975 -3.839 -4.581 1.00 0.00 C ATOM 421 CZ TYR A 534 14.928 -3.908 -3.587 1.00 0.00 C ATOM 422 OH TYR A 534 15.649 -2.784 -3.252 1.00 0.00 O ATOM 0 H TYR A 534 10.037 -6.173 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 534 11.202 -8.755 -3.848 1.00 0.00 H new ATOM 0 HB2 TYR A 534 13.352 -8.280 -4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 534 12.350 -7.323 -5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 534 14.623 -7.149 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 534 12.507 -4.910 -5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 534 15.909 -5.145 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 534 13.794 -2.907 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 534 15.363 -2.033 -3.812 1.00 0.00 H new ATOM 432 N PHE A 535 11.946 -6.187 -1.907 1.00 0.00 N ATOM 433 CA PHE A 535 12.253 -5.847 -0.523 1.00 0.00 C ATOM 434 C PHE A 535 11.150 -6.340 0.408 1.00 0.00 C ATOM 435 O PHE A 535 11.358 -6.474 1.614 1.00 0.00 O ATOM 436 CB PHE A 535 12.439 -4.335 -0.359 1.00 0.00 C ATOM 437 CG PHE A 535 11.463 -3.512 -1.151 1.00 0.00 C ATOM 438 CD1 PHE A 535 10.136 -3.424 -0.766 1.00 0.00 C ATOM 439 CD2 PHE A 535 11.878 -2.825 -2.279 1.00 0.00 C ATOM 440 CE1 PHE A 535 9.240 -2.666 -1.495 1.00 0.00 C ATOM 441 CE2 PHE A 535 10.988 -2.065 -3.012 1.00 0.00 C ATOM 442 CZ PHE A 535 9.665 -1.985 -2.619 1.00 0.00 C ATOM 0 H PHE A 535 11.863 -5.387 -2.534 1.00 0.00 H new ATOM 0 HA PHE A 535 13.187 -6.342 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.343 -4.079 0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 535 13.452 -4.069 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 535 9.798 -3.953 0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 535 12.911 -2.884 -2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 535 8.207 -2.606 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.325 -1.534 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 535 8.966 -1.392 -3.189 1.00 0.00 H new ATOM 452 N GLY A 536 9.979 -6.620 -0.166 1.00 0.00 N ATOM 453 CA GLY A 536 8.850 -7.107 0.616 1.00 0.00 C ATOM 454 C GLY A 536 8.722 -6.439 1.981 1.00 0.00 C ATOM 455 O GLY A 536 8.635 -5.215 2.066 1.00 0.00 O ATOM 0 H GLY A 536 9.792 -6.518 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 536 7.931 -6.944 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.952 -8.183 0.755 1.00 0.00 H new ATOM 459 N PRO A 537 8.706 -7.228 3.074 1.00 0.00 N ATOM 460 CA PRO A 537 8.584 -6.698 4.439 1.00 0.00 C ATOM 461 C PRO A 537 9.873 -6.047 4.943 1.00 0.00 C ATOM 462 O PRO A 537 9.919 -5.522 6.055 1.00 0.00 O ATOM 463 CB PRO A 537 8.259 -7.941 5.268 1.00 0.00 C ATOM 464 CG PRO A 537 8.896 -9.061 4.525 1.00 0.00 C ATOM 465 CD PRO A 537 8.801 -8.702 3.066 1.00 0.00 C ATOM 0 HA PRO A 537 7.833 -5.910 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 537 8.657 -7.859 6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.183 -8.087 5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 537 9.935 -9.188 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 537 8.387 -10.003 4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.675 -9.044 2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.928 -9.157 2.598 1.00 0.00 H new ATOM 473 N ALA A 538 10.918 -6.086 4.126 1.00 0.00 N ATOM 474 CA ALA A 538 12.199 -5.499 4.497 1.00 0.00 C ATOM 475 C ALA A 538 12.089 -3.983 4.612 1.00 0.00 C ATOM 476 O ALA A 538 12.873 -3.344 5.314 1.00 0.00 O ATOM 477 CB ALA A 538 13.268 -5.878 3.483 1.00 0.00 C ATOM 0 H ALA A 538 10.904 -6.518 3.202 1.00 0.00 H new ATOM 0 HA ALA A 538 12.486 -5.894 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 538 14.219 -5.432 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 538 13.370 -6.963 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.981 -5.511 2.498 1.00 0.00 H new ATOM 483 N ALA A 539 11.106 -3.415 3.922 1.00 0.00 N ATOM 484 CA ALA A 539 10.883 -1.979 3.949 1.00 0.00 C ATOM 485 C ALA A 539 9.765 -1.622 4.920 1.00 0.00 C ATOM 486 O ALA A 539 9.654 -0.480 5.369 1.00 0.00 O ATOM 487 CB ALA A 539 10.541 -1.480 2.559 1.00 0.00 C ATOM 0 H ALA A 539 10.450 -3.932 3.336 1.00 0.00 H new ATOM 0 HA ALA A 539 11.800 -1.496 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.376 -0.403 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.364 -1.702 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.637 -1.976 2.207 1.00 0.00 H new ATOM 493 N GLU A 540 8.933 -2.612 5.226 1.00 0.00 N ATOM 494 CA GLU A 540 7.799 -2.437 6.131 1.00 0.00 C ATOM 495 C GLU A 540 8.140 -1.565 7.343 1.00 0.00 C ATOM 496 O GLU A 540 8.798 -2.016 8.280 1.00 0.00 O ATOM 497 CB GLU A 540 7.305 -3.805 6.590 1.00 0.00 C ATOM 498 CG GLU A 540 6.015 -4.241 5.918 1.00 0.00 C ATOM 499 CD GLU A 540 4.795 -3.545 6.487 1.00 0.00 C ATOM 500 OE1 GLU A 540 4.515 -2.402 6.072 1.00 0.00 O ATOM 501 OE2 GLU A 540 4.119 -4.144 7.351 1.00 0.00 O ATOM 0 H GLU A 540 9.024 -3.558 4.855 1.00 0.00 H new ATOM 0 HA GLU A 540 7.015 -1.917 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 540 8.078 -4.547 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 540 7.154 -3.784 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 540 6.080 -4.036 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 540 5.898 -5.319 6.030 1.00 0.00 H new ATOM 508 N GLY A 541 7.657 -0.323 7.323 1.00 0.00 N ATOM 509 CA GLY A 541 7.888 0.587 8.430 1.00 0.00 C ATOM 510 C GLY A 541 8.829 1.732 8.108 1.00 0.00 C ATOM 511 O GLY A 541 8.953 2.671 8.894 1.00 0.00 O ATOM 0 H GLY A 541 7.109 0.068 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.932 0.998 8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 541 8.294 0.024 9.270 1.00 0.00 H new ATOM 515 N ILE A 542 9.499 1.664 6.967 1.00 0.00 N ATOM 516 CA ILE A 542 10.430 2.716 6.584 1.00 0.00 C ATOM 517 C ILE A 542 9.818 3.653 5.552 1.00 0.00 C ATOM 518 O ILE A 542 10.103 4.850 5.545 1.00 0.00 O ATOM 519 CB ILE A 542 11.738 2.138 6.020 1.00 0.00 C ATOM 520 CG1 ILE A 542 12.223 0.975 6.887 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.802 3.221 5.933 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.602 -0.244 6.086 1.00 0.00 C ATOM 0 H ILE A 542 9.417 0.900 6.296 1.00 0.00 H new ATOM 0 HA ILE A 542 10.651 3.277 7.492 1.00 0.00 H new ATOM 0 HB ILE A 542 11.548 1.762 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 542 13.084 1.300 7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.439 0.707 7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.722 2.796 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.455 4.020 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.992 3.625 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.937 -1.032 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.737 -0.592 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.407 0.010 5.396 1.00 0.00 H new ATOM 534 N TYR A 543 8.975 3.107 4.681 1.00 0.00 N ATOM 535 CA TYR A 543 8.328 3.916 3.646 1.00 0.00 C ATOM 536 C TYR A 543 7.517 3.056 2.668 1.00 0.00 C ATOM 537 O TYR A 543 6.370 2.706 2.946 1.00 0.00 O ATOM 538 CB TYR A 543 9.361 4.765 2.880 1.00 0.00 C ATOM 539 CG TYR A 543 10.753 4.165 2.813 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.945 2.789 2.746 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.878 4.982 2.813 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.214 2.246 2.683 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.151 4.447 2.749 1.00 0.00 C ATOM 544 CZ TYR A 543 13.313 3.079 2.685 1.00 0.00 C ATOM 545 OH TYR A 543 14.579 2.542 2.622 1.00 0.00 O ATOM 0 H TYR A 543 8.724 2.119 4.668 1.00 0.00 H new ATOM 0 HA TYR A 543 7.634 4.585 4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 543 8.999 4.923 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.426 5.746 3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.087 2.133 2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.755 6.054 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.344 1.175 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.014 5.097 2.749 1.00 0.00 H new ATOM 0 HH TYR A 543 15.241 3.264 2.632 1.00 0.00 H new ATOM 555 N ILE A 544 8.109 2.737 1.516 1.00 0.00 N ATOM 556 CA ILE A 544 7.434 1.940 0.493 1.00 0.00 C ATOM 557 C ILE A 544 6.849 0.660 1.072 1.00 0.00 C ATOM 558 O ILE A 544 5.635 0.528 1.201 1.00 0.00 O ATOM 559 CB ILE A 544 8.400 1.580 -0.651 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.211 2.811 -1.062 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.630 1.018 -1.834 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.655 2.761 -0.613 1.00 0.00 C ATOM 0 H ILE A 544 9.057 3.020 1.269 1.00 0.00 H new ATOM 0 HA ILE A 544 6.620 2.552 0.103 1.00 0.00 H new ATOM 0 HB ILE A 544 9.093 0.814 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.180 2.911 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.740 3.702 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.325 0.768 -2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.094 0.121 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.918 1.762 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.169 3.665 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.696 2.692 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.142 1.889 -1.050 1.00 0.00 H new ATOM 574 N GLU A 545 7.720 -0.273 1.433 1.00 0.00 N ATOM 575 CA GLU A 545 7.296 -1.543 2.015 1.00 0.00 C ATOM 576 C GLU A 545 6.567 -2.408 0.992 1.00 0.00 C ATOM 577 O GLU A 545 6.198 -1.938 -0.084 1.00 0.00 O ATOM 578 CB GLU A 545 6.392 -1.306 3.226 1.00 0.00 C ATOM 579 CG GLU A 545 6.766 -0.079 4.052 1.00 0.00 C ATOM 580 CD GLU A 545 5.577 0.514 4.783 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.554 -0.189 4.922 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.668 1.682 5.217 1.00 0.00 O ATOM 0 H GLU A 545 8.730 -0.175 1.333 1.00 0.00 H new ATOM 0 HA GLU A 545 8.194 -2.071 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.363 -1.200 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.424 -2.186 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.534 -0.353 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.200 0.677 3.398 1.00 0.00 H new ATOM 589 N GLY A 546 6.359 -3.675 1.343 1.00 0.00 N ATOM 590 CA GLY A 546 5.670 -4.590 0.454 1.00 0.00 C ATOM 591 C GLY A 546 4.198 -4.256 0.322 1.00 0.00 C ATOM 592 O GLY A 546 3.338 -5.004 0.788 1.00 0.00 O ATOM 0 H GLY A 546 6.657 -4.083 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.138 -4.560 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.778 -5.608 0.828 1.00 0.00 H new ATOM 596 N LEU A 547 3.911 -3.122 -0.305 1.00 0.00 N ATOM 597 CA LEU A 547 2.537 -2.672 -0.492 1.00 0.00 C ATOM 598 C LEU A 547 2.354 -2.065 -1.878 1.00 0.00 C ATOM 599 O LEU A 547 1.671 -1.054 -2.036 1.00 0.00 O ATOM 600 CB LEU A 547 2.187 -1.635 0.573 1.00 0.00 C ATOM 601 CG LEU A 547 3.172 -0.470 0.671 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.971 0.501 -0.483 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.033 0.242 2.010 1.00 0.00 C ATOM 0 H LEU A 547 4.615 -2.495 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 547 1.874 -3.532 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.194 -1.238 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.133 -2.132 1.542 1.00 0.00 H new ATOM 0 HG LEU A 547 4.184 -0.871 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.682 1.323 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.132 -0.018 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.955 0.895 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.743 1.068 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.019 0.629 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.237 -0.460 2.818 1.00 0.00 H new ATOM 615 N MET A 548 2.964 -2.680 -2.881 1.00 0.00 N ATOM 616 CA MET A 548 2.868 -2.184 -4.251 1.00 0.00 C ATOM 617 C MET A 548 1.455 -2.318 -4.809 1.00 0.00 C ATOM 618 O MET A 548 1.269 -2.586 -5.996 1.00 0.00 O ATOM 619 CB MET A 548 3.835 -2.927 -5.162 1.00 0.00 C ATOM 620 CG MET A 548 5.176 -3.251 -4.517 1.00 0.00 C ATOM 621 SD MET A 548 5.492 -5.023 -4.416 1.00 0.00 S ATOM 622 CE MET A 548 5.034 -5.356 -2.718 1.00 0.00 C ATOM 0 H MET A 548 3.530 -3.522 -2.775 1.00 0.00 H new ATOM 0 HA MET A 548 3.129 -1.126 -4.221 1.00 0.00 H new ATOM 0 HB2 MET A 548 3.368 -3.856 -5.489 1.00 0.00 H new ATOM 0 HB3 MET A 548 4.010 -2.327 -6.055 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.973 -2.776 -5.089 1.00 0.00 H new ATOM 0 HG3 MET A 548 5.205 -2.824 -3.515 1.00 0.00 H new ATOM 0 HE1 MET A 548 5.741 -6.062 -2.282 1.00 0.00 H new ATOM 0 HE2 MET A 548 5.050 -4.427 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 548 4.031 -5.782 -2.689 1.00 0.00 H new ATOM 632 N HIS A 549 0.466 -2.109 -3.959 1.00 0.00 N ATOM 633 CA HIS A 549 -0.925 -2.184 -4.370 1.00 0.00 C ATOM 634 C HIS A 549 -1.571 -0.811 -4.238 1.00 0.00 C ATOM 635 O HIS A 549 -2.650 -0.563 -4.774 1.00 0.00 O ATOM 636 CB HIS A 549 -1.685 -3.207 -3.521 1.00 0.00 C ATOM 637 CG HIS A 549 -0.867 -4.406 -3.146 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.668 -4.803 -1.840 1.00 0.00 N ATOM 639 CD2 HIS A 549 -0.192 -5.295 -3.914 1.00 0.00 C ATOM 640 CE1 HIS A 549 0.094 -5.883 -1.821 1.00 0.00 C ATOM 641 NE2 HIS A 549 0.394 -6.202 -3.066 1.00 0.00 N ATOM 0 H HIS A 549 0.602 -1.885 -2.973 1.00 0.00 H new ATOM 0 HA HIS A 549 -0.967 -2.505 -5.411 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.038 -2.721 -2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.567 -3.537 -4.069 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -0.127 -5.291 -4.992 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.416 -6.414 -0.937 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.969 -6.995 -3.352 1.00 0.00 H new ATOM 650 N ASN A 550 -0.888 0.081 -3.519 1.00 0.00 N ATOM 651 CA ASN A 550 -1.369 1.447 -3.305 1.00 0.00 C ATOM 652 C ASN A 550 -2.655 1.489 -2.470 1.00 0.00 C ATOM 653 O ASN A 550 -2.896 2.460 -1.754 1.00 0.00 O ATOM 654 CB ASN A 550 -1.583 2.145 -4.647 1.00 0.00 C ATOM 655 CG ASN A 550 -0.353 2.067 -5.533 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.456 1.866 -6.743 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.822 2.227 -4.930 1.00 0.00 N ATOM 0 H ASN A 550 0.007 -0.120 -3.072 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.603 1.976 -2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.429 1.690 -5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.840 3.190 -4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.684 2.185 -5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.861 2.392 -3.924 1.00 0.00 H new ATOM 664 N GLN A 551 -3.476 0.443 -2.563 1.00 0.00 N ATOM 665 CA GLN A 551 -4.728 0.368 -1.816 1.00 0.00 C ATOM 666 C GLN A 551 -5.819 1.191 -2.481 1.00 0.00 C ATOM 667 O GLN A 551 -5.672 2.394 -2.700 1.00 0.00 O ATOM 668 CB GLN A 551 -4.532 0.802 -0.367 1.00 0.00 C ATOM 669 CG GLN A 551 -3.309 0.183 0.280 1.00 0.00 C ATOM 670 CD GLN A 551 -3.258 0.411 1.779 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.202 1.550 2.243 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.275 -0.675 2.544 1.00 0.00 N ATOM 0 H GLN A 551 -3.293 -0.369 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.047 -0.674 -1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.446 1.888 -0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.417 0.532 0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.301 -0.888 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.412 0.600 -0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.322 -1.600 2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.241 -0.584 3.559 1.00 0.00 H new ATOM 681 N ASP A 552 -6.911 0.516 -2.801 1.00 0.00 N ATOM 682 CA ASP A 552 -8.056 1.145 -3.451 1.00 0.00 C ATOM 683 C ASP A 552 -9.362 0.463 -3.046 1.00 0.00 C ATOM 684 O ASP A 552 -10.097 -0.047 -3.891 1.00 0.00 O ATOM 685 CB ASP A 552 -7.891 1.094 -4.971 1.00 0.00 C ATOM 686 CG ASP A 552 -7.716 -0.321 -5.487 1.00 0.00 C ATOM 687 OD1 ASP A 552 -6.793 -1.016 -5.012 1.00 0.00 O ATOM 688 OD2 ASP A 552 -8.503 -0.734 -6.363 1.00 0.00 O ATOM 0 H ASP A 552 -7.032 -0.480 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.099 2.185 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -8.764 1.545 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -7.027 1.693 -5.260 1.00 0.00 H new ATOM 693 N GLY A 553 -9.648 0.463 -1.746 1.00 0.00 N ATOM 694 CA GLY A 553 -10.866 -0.152 -1.254 1.00 0.00 C ATOM 695 C GLY A 553 -10.914 -1.647 -1.495 1.00 0.00 C ATOM 696 O GLY A 553 -11.993 -2.232 -1.579 1.00 0.00 O ATOM 0 H GLY A 553 -9.057 0.878 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -10.958 0.041 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.724 0.316 -1.737 1.00 0.00 H new ATOM 700 N LEU A 554 -9.745 -2.270 -1.601 1.00 0.00 N ATOM 701 CA LEU A 554 -9.664 -3.710 -1.826 1.00 0.00 C ATOM 702 C LEU A 554 -9.907 -4.475 -0.530 1.00 0.00 C ATOM 703 O LEU A 554 -10.298 -5.642 -0.547 1.00 0.00 O ATOM 704 CB LEU A 554 -8.294 -4.086 -2.389 1.00 0.00 C ATOM 705 CG LEU A 554 -7.785 -3.186 -3.516 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.480 -3.723 -4.082 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.833 -3.063 -4.613 1.00 0.00 C ATOM 0 H LEU A 554 -8.841 -1.802 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.436 -3.980 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.568 -4.070 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.339 -5.111 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.597 -2.194 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.134 -3.069 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.729 -3.759 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.640 -4.726 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.455 -2.419 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -9.052 -4.050 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.744 -2.631 -4.199 1.00 0.00 H new ATOM 719 N ILE A 555 -9.660 -3.810 0.591 1.00 0.00 N ATOM 720 CA ILE A 555 -9.839 -4.419 1.901 1.00 0.00 C ATOM 721 C ILE A 555 -11.154 -3.979 2.536 1.00 0.00 C ATOM 722 O ILE A 555 -11.887 -4.789 3.105 1.00 0.00 O ATOM 723 CB ILE A 555 -8.673 -4.044 2.839 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.329 -4.210 2.122 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.711 -4.886 4.101 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.488 -2.952 2.114 1.00 0.00 C ATOM 0 H ILE A 555 -9.334 -2.844 0.618 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.858 -5.500 1.759 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.784 -2.997 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.766 -5.010 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.511 -4.522 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.881 -4.607 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.653 -4.717 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.627 -5.940 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.552 -3.144 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.031 -2.155 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.275 -2.650 3.139 1.00 0.00 H new ATOM 738 N CYS A 556 -11.439 -2.686 2.437 1.00 0.00 N ATOM 739 CA CYS A 556 -12.659 -2.114 3.000 1.00 0.00 C ATOM 740 C CYS A 556 -13.888 -2.505 2.186 1.00 0.00 C ATOM 741 O CYS A 556 -14.818 -3.120 2.705 1.00 0.00 O ATOM 742 CB CYS A 556 -12.540 -0.587 3.057 1.00 0.00 C ATOM 743 SG CYS A 556 -13.634 0.231 4.275 1.00 0.00 S ATOM 0 H CYS A 556 -10.838 -2.008 1.969 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.781 -2.512 4.007 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.507 -0.327 3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.757 -0.184 2.068 1.00 0.00 H new ATOM 748 N GLY A 557 -13.890 -2.133 0.910 1.00 0.00 N ATOM 749 CA GLY A 557 -15.015 -2.444 0.048 1.00 0.00 C ATOM 750 C GLY A 557 -14.839 -3.749 -0.703 1.00 0.00 C ATOM 751 O GLY A 557 -15.818 -4.407 -1.056 1.00 0.00 O ATOM 0 H GLY A 557 -13.132 -1.622 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.923 -2.496 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.152 -1.634 -0.668 1.00 0.00 H new ATOM 755 N LEU A 558 -13.588 -4.126 -0.948 1.00 0.00 N ATOM 756 CA LEU A 558 -13.282 -5.361 -1.660 1.00 0.00 C ATOM 757 C LEU A 558 -13.761 -5.288 -3.105 1.00 0.00 C ATOM 758 O LEU A 558 -13.899 -6.311 -3.775 1.00 0.00 O ATOM 759 CB LEU A 558 -13.949 -6.546 -0.969 1.00 0.00 C ATOM 760 CG LEU A 558 -13.800 -6.578 0.553 1.00 0.00 C ATOM 761 CD1 LEU A 558 -15.028 -5.975 1.219 1.00 0.00 C ATOM 762 CD2 LEU A 558 -13.571 -8.002 1.037 1.00 0.00 C ATOM 0 H LEU A 558 -12.767 -3.592 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 558 -12.200 -5.494 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -15.011 -6.539 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -13.533 -7.467 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.931 -5.980 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -14.906 -6.005 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -15.146 -4.941 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -15.912 -6.547 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -13.467 -8.005 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.419 -8.624 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.662 -8.398 0.584 1.00 0.00 H new ATOM 774 N ARG A 559 -14.036 -4.078 -3.571 1.00 0.00 N ATOM 775 CA ARG A 559 -14.527 -3.885 -4.930 1.00 0.00 C ATOM 776 C ARG A 559 -14.561 -2.407 -5.326 1.00 0.00 C ATOM 777 O ARG A 559 -15.247 -2.034 -6.278 1.00 0.00 O ATOM 778 CB ARG A 559 -15.930 -4.478 -5.046 1.00 0.00 C ATOM 779 CG ARG A 559 -16.692 -4.474 -3.728 1.00 0.00 C ATOM 780 CD ARG A 559 -18.174 -4.727 -3.940 1.00 0.00 C ATOM 781 NE ARG A 559 -18.922 -3.487 -4.128 1.00 0.00 N ATOM 782 CZ ARG A 559 -19.169 -2.615 -3.154 1.00 0.00 C ATOM 783 NH1 ARG A 559 -18.731 -2.842 -1.922 1.00 0.00 N ATOM 784 NH2 ARG A 559 -19.857 -1.511 -3.412 1.00 0.00 N ATOM 0 H ARG A 559 -13.929 -3.219 -3.032 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.841 -4.391 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.496 -3.914 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.856 -5.502 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.282 -5.238 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.553 -3.515 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -18.311 -5.368 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.576 -5.266 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.276 -3.277 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -18.201 -3.689 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -18.924 -2.169 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -20.197 -1.331 -4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -20.047 -0.842 -2.666 1.00 0.00 H new ATOM 798 N GLN A 560 -13.824 -1.569 -4.603 1.00 0.00 N ATOM 799 CA GLN A 560 -13.790 -0.141 -4.904 1.00 0.00 C ATOM 800 C GLN A 560 -12.821 0.150 -6.044 1.00 0.00 C ATOM 801 O GLN A 560 -11.790 -0.550 -6.136 1.00 0.00 O ATOM 802 CB GLN A 560 -13.389 0.662 -3.663 1.00 0.00 C ATOM 803 CG GLN A 560 -14.060 0.195 -2.378 1.00 0.00 C ATOM 804 CD GLN A 560 -15.546 -0.070 -2.549 1.00 0.00 C ATOM 805 OE1 GLN A 560 -15.901 -1.336 -2.742 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.362 0.850 -2.507 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -13.100 1.075 -6.836 1.00 0.00 O ATOM 0 H GLN A 560 -13.247 -1.851 -3.811 1.00 0.00 H new ATOM 0 HA GLN A 560 -14.791 0.160 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.308 0.602 -3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.633 1.711 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.572 -0.715 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.917 0.950 -1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.044 1.807 -2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.357 0.655 -2.623 1.00 0.00 H new TER 816 GLN A 560