USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 521 GLN :FLIP amide:sc= -1.87! F(o=-9.5,f=-8.2!) USER MOD Set 1.2: A 548 MET CE :methyl 180:sc= -0.253 (180deg=0) USER MOD Set 1.3: A 551 GLN : amide:sc= -6.04 K(o=-8.2,f=-12!) USER MOD Set 2.1: A 549 HIS :FLIP no HD1:sc= -5.44! C(o=-6.5!,f=-6!) USER MOD Set 2.2: A 550 ASN : amide:sc= -0.535 K(o=-6,f=-7.8) USER MOD Single : A 508 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 514 ASN :FLIP amide:sc= -0.202 F(o=-1.1,f=-0.2) USER MOD Single : A 516 HIS : no HD1:sc= -1.95 X(o=-1.9,f=-1.5) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 131:sc= -0.751! USER MOD Single : A 520 THR OG1 : rot 34:sc= 1.19 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 560 GLN :FLIP amide:sc= -0.183 F(o=-0.91,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -20.830 4.870 -0.818 1.00 0.00 N ATOM 2 CA ALA A 507 -19.390 4.674 -1.128 1.00 0.00 C ATOM 3 C ALA A 507 -19.113 3.245 -1.573 1.00 0.00 C ATOM 4 O ALA A 507 -19.696 2.296 -1.045 1.00 0.00 O ATOM 5 CB ALA A 507 -18.540 5.009 0.086 1.00 0.00 C ATOM 0 HA ALA A 507 -19.130 5.345 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -17.487 4.861 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -18.705 6.048 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -18.817 4.358 0.915 1.00 0.00 H new ATOM 13 N GLN A 508 -18.215 3.095 -2.539 1.00 0.00 N ATOM 14 CA GLN A 508 -17.859 1.776 -3.043 1.00 0.00 C ATOM 15 C GLN A 508 -16.343 1.582 -3.039 1.00 0.00 C ATOM 16 O GLN A 508 -15.691 1.688 -4.078 1.00 0.00 O ATOM 17 CB GLN A 508 -18.418 1.575 -4.455 1.00 0.00 C ATOM 18 CG GLN A 508 -19.361 0.389 -4.571 1.00 0.00 C ATOM 19 CD GLN A 508 -19.348 -0.232 -5.954 1.00 0.00 C ATOM 20 OE1 GLN A 508 -20.173 0.101 -6.804 1.00 0.00 O ATOM 21 NE2 GLN A 508 -18.408 -1.141 -6.185 1.00 0.00 N ATOM 0 H GLN A 508 -17.722 3.867 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 508 -18.300 1.029 -2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -18.945 2.479 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -17.589 1.439 -5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -19.082 -0.365 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -20.374 0.710 -4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -17.744 -1.386 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -18.350 -1.594 -7.097 1.00 0.00 H new ATOM 30 N PRO A 509 -15.759 1.298 -1.861 1.00 0.00 N ATOM 31 CA PRO A 509 -14.324 1.093 -1.719 1.00 0.00 C ATOM 32 C PRO A 509 -13.918 -0.366 -1.902 1.00 0.00 C ATOM 33 O PRO A 509 -12.738 -0.673 -2.043 1.00 0.00 O ATOM 34 CB PRO A 509 -14.075 1.538 -0.281 1.00 0.00 C ATOM 35 CG PRO A 509 -15.338 1.213 0.453 1.00 0.00 C ATOM 36 CD PRO A 509 -16.452 1.157 -0.570 1.00 0.00 C ATOM 0 HA PRO A 509 -13.749 1.635 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.222 1.015 0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.853 2.604 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -15.246 0.259 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.548 1.969 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -17.000 0.217 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -17.176 1.958 -0.416 1.00 0.00 H new ATOM 44 N LYS A 510 -14.904 -1.261 -1.882 1.00 0.00 N ATOM 45 CA LYS A 510 -14.666 -2.699 -2.033 1.00 0.00 C ATOM 46 C LYS A 510 -14.223 -3.328 -0.715 1.00 0.00 C ATOM 47 O LYS A 510 -14.461 -4.509 -0.463 1.00 0.00 O ATOM 48 CB LYS A 510 -13.640 -2.975 -3.147 1.00 0.00 C ATOM 49 CG LYS A 510 -12.237 -3.299 -2.649 1.00 0.00 C ATOM 50 CD LYS A 510 -11.176 -2.855 -3.642 1.00 0.00 C ATOM 51 CE LYS A 510 -10.553 -1.534 -3.226 1.00 0.00 C ATOM 52 NZ LYS A 510 -9.160 -1.390 -3.733 1.00 0.00 N ATOM 0 H LYS A 510 -15.886 -1.014 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 510 -15.610 -3.162 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -13.997 -3.807 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -13.588 -2.103 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -12.068 -2.808 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -12.150 -4.372 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -10.401 -3.618 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.620 -2.755 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -11.162 -0.712 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -10.553 -1.460 -2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -8.772 -0.475 -3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.572 -2.160 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -9.162 -1.435 -4.772 1.00 0.00 H new ATOM 66 N CYS A 511 -13.585 -2.522 0.119 1.00 0.00 N ATOM 67 CA CYS A 511 -13.102 -2.968 1.421 1.00 0.00 C ATOM 68 C CYS A 511 -12.420 -4.331 1.330 1.00 0.00 C ATOM 69 O CYS A 511 -12.996 -5.353 1.703 1.00 0.00 O ATOM 70 CB CYS A 511 -14.260 -3.021 2.419 1.00 0.00 C ATOM 71 SG CYS A 511 -14.643 -1.421 3.206 1.00 0.00 S ATOM 0 H CYS A 511 -13.387 -1.542 -0.085 1.00 0.00 H new ATOM 0 HA CYS A 511 -12.360 -2.249 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -15.151 -3.383 1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.022 -3.748 3.196 1.00 0.00 H new ATOM 76 N ASN A 512 -11.188 -4.334 0.832 1.00 0.00 N ATOM 77 CA ASN A 512 -10.419 -5.564 0.692 1.00 0.00 C ATOM 78 C ASN A 512 -9.181 -5.527 1.589 1.00 0.00 C ATOM 79 O ASN A 512 -8.074 -5.257 1.123 1.00 0.00 O ATOM 80 CB ASN A 512 -10.010 -5.771 -0.769 1.00 0.00 C ATOM 81 CG ASN A 512 -10.496 -7.095 -1.325 1.00 0.00 C ATOM 82 OD1 ASN A 512 -11.330 -7.133 -2.230 1.00 0.00 O ATOM 83 ND2 ASN A 512 -9.976 -8.190 -0.785 1.00 0.00 N ATOM 0 H ASN A 512 -10.700 -3.495 0.518 1.00 0.00 H new ATOM 0 HA ASN A 512 -11.045 -6.400 1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -10.410 -4.957 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.924 -5.723 -0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -10.265 -9.110 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -9.287 -8.112 -0.037 1.00 0.00 H new ATOM 90 N PRO A 513 -9.359 -5.792 2.895 1.00 0.00 N ATOM 91 CA PRO A 513 -8.261 -5.783 3.864 1.00 0.00 C ATOM 92 C PRO A 513 -7.484 -7.097 3.899 1.00 0.00 C ATOM 93 O PRO A 513 -6.871 -7.436 4.911 1.00 0.00 O ATOM 94 CB PRO A 513 -8.989 -5.559 5.186 1.00 0.00 C ATOM 95 CG PRO A 513 -10.313 -6.220 5.001 1.00 0.00 C ATOM 96 CD PRO A 513 -10.649 -6.113 3.534 1.00 0.00 C ATOM 0 HA PRO A 513 -7.510 -5.030 3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.440 -5.996 6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.103 -4.497 5.401 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.272 -7.263 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.076 -5.735 5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.063 -7.045 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.390 -5.335 3.350 1.00 0.00 H new ATOM 104 N ASN A 514 -7.512 -7.833 2.792 1.00 0.00 N ATOM 105 CA ASN A 514 -6.809 -9.107 2.704 1.00 0.00 C ATOM 106 C ASN A 514 -5.443 -8.937 2.041 1.00 0.00 C ATOM 107 O ASN A 514 -4.506 -9.680 2.329 1.00 0.00 O ATOM 108 CB ASN A 514 -7.652 -10.119 1.924 1.00 0.00 C ATOM 109 CG ASN A 514 -6.948 -11.451 1.745 1.00 0.00 C ATOM 110 OD1 ASN A 514 -6.016 -11.507 0.803 1.00 0.00 O flip ATOM 111 ND2 ASN A 514 -7.241 -12.419 2.448 1.00 0.00 N flip ATOM 0 H ASN A 514 -8.014 -7.569 1.944 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.650 -9.479 3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.596 -10.278 2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.895 -9.706 0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -7.965 -12.331 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.760 -13.309 2.317 1.00 0.00 H new ATOM 118 N LEU A 515 -5.338 -7.955 1.150 1.00 0.00 N ATOM 119 CA LEU A 515 -4.086 -7.692 0.446 1.00 0.00 C ATOM 120 C LEU A 515 -3.203 -6.732 1.239 1.00 0.00 C ATOM 121 O LEU A 515 -3.053 -5.565 0.877 1.00 0.00 O ATOM 122 CB LEU A 515 -4.372 -7.115 -0.942 1.00 0.00 C ATOM 123 CG LEU A 515 -5.163 -8.037 -1.874 1.00 0.00 C ATOM 124 CD1 LEU A 515 -6.325 -7.287 -2.508 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.255 -8.621 -2.946 1.00 0.00 C ATOM 0 H LEU A 515 -6.103 -7.329 0.899 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.553 -8.637 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.923 -6.182 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.424 -6.868 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.567 -8.858 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.875 -7.959 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.990 -6.919 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -5.943 -6.445 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -4.835 -9.273 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.820 -7.813 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -3.458 -9.196 -2.474 1.00 0.00 H new ATOM 137 N HIS A 516 -2.622 -7.236 2.324 1.00 0.00 N ATOM 138 CA HIS A 516 -1.753 -6.430 3.176 1.00 0.00 C ATOM 139 C HIS A 516 -0.350 -6.295 2.582 1.00 0.00 C ATOM 140 O HIS A 516 0.480 -5.549 3.102 1.00 0.00 O ATOM 141 CB HIS A 516 -1.665 -7.050 4.571 1.00 0.00 C ATOM 142 CG HIS A 516 -1.456 -6.046 5.662 1.00 0.00 C ATOM 143 ND1 HIS A 516 -2.366 -5.837 6.676 1.00 0.00 N ATOM 144 CD2 HIS A 516 -0.432 -5.191 5.896 1.00 0.00 C ATOM 145 CE1 HIS A 516 -1.913 -4.898 7.486 1.00 0.00 C ATOM 146 NE2 HIS A 516 -0.741 -4.490 7.035 1.00 0.00 N ATOM 0 H HIS A 516 -2.738 -8.201 2.634 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.188 -5.433 3.245 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.581 -7.606 4.771 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.846 -7.769 4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 516 0.461 -5.081 5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -2.415 -4.527 8.367 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -0.159 -3.770 7.464 1.00 0.00 H new ATOM 155 N TYR A 517 -0.084 -7.023 1.502 1.00 0.00 N ATOM 156 CA TYR A 517 1.225 -6.986 0.859 1.00 0.00 C ATOM 157 C TYR A 517 1.378 -5.760 -0.040 1.00 0.00 C ATOM 158 O TYR A 517 2.336 -4.998 0.095 1.00 0.00 O ATOM 159 CB TYR A 517 1.447 -8.257 0.041 1.00 0.00 C ATOM 160 CG TYR A 517 1.227 -9.530 0.827 1.00 0.00 C ATOM 161 CD1 TYR A 517 2.006 -9.826 1.938 1.00 0.00 C ATOM 162 CD2 TYR A 517 0.241 -10.436 0.457 1.00 0.00 C ATOM 163 CE1 TYR A 517 1.809 -10.989 2.659 1.00 0.00 C ATOM 164 CE2 TYR A 517 0.037 -11.600 1.173 1.00 0.00 C ATOM 165 CZ TYR A 517 0.823 -11.872 2.272 1.00 0.00 C ATOM 166 OH TYR A 517 0.623 -13.031 2.987 1.00 0.00 O ATOM 0 H TYR A 517 -0.757 -7.645 1.054 1.00 0.00 H new ATOM 0 HA TYR A 517 1.976 -6.923 1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.774 -8.249 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.464 -8.253 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 517 2.779 -9.136 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -0.376 -10.227 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 517 2.424 -11.205 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -0.735 -12.293 0.873 1.00 0.00 H new ATOM 0 HH TYR A 517 -0.110 -13.542 2.584 1.00 0.00 H new ATOM 176 N TRP A 518 0.442 -5.584 -0.968 1.00 0.00 N ATOM 177 CA TRP A 518 0.495 -4.460 -1.898 1.00 0.00 C ATOM 178 C TRP A 518 -0.284 -3.251 -1.384 1.00 0.00 C ATOM 179 O TRP A 518 -0.282 -2.199 -2.019 1.00 0.00 O ATOM 180 CB TRP A 518 -0.042 -4.883 -3.265 1.00 0.00 C ATOM 181 CG TRP A 518 0.995 -5.534 -4.130 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.973 -4.909 -4.849 1.00 0.00 C ATOM 183 CD2 TRP A 518 1.158 -6.937 -4.364 1.00 0.00 C ATOM 184 NE1 TRP A 518 2.733 -5.838 -5.517 1.00 0.00 N ATOM 185 CE2 TRP A 518 2.253 -7.090 -5.236 1.00 0.00 C ATOM 186 CE3 TRP A 518 0.485 -8.079 -3.921 1.00 0.00 C ATOM 187 CZ2 TRP A 518 2.688 -8.339 -5.672 1.00 0.00 C ATOM 188 CZ3 TRP A 518 0.919 -9.317 -4.356 1.00 0.00 C ATOM 189 CH2 TRP A 518 2.011 -9.439 -5.222 1.00 0.00 C ATOM 0 H TRP A 518 -0.359 -6.202 -1.096 1.00 0.00 H new ATOM 0 HA TRP A 518 1.540 -4.163 -1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -0.874 -5.573 -3.124 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -0.438 -4.008 -3.780 1.00 0.00 H new ATOM 0 HD1 TRP A 518 2.127 -3.841 -4.887 1.00 0.00 H new ATOM 0 HE1 TRP A 518 3.526 -5.630 -6.124 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -0.358 -7.996 -3.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 3.530 -8.436 -6.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 0.406 -10.206 -4.021 1.00 0.00 H new ATOM 0 HH2 TRP A 518 2.326 -10.421 -5.542 1.00 0.00 H new ATOM 200 N THR A 519 -0.941 -3.398 -0.236 1.00 0.00 N ATOM 201 CA THR A 519 -1.715 -2.305 0.352 1.00 0.00 C ATOM 202 C THR A 519 -2.760 -1.779 -0.637 1.00 0.00 C ATOM 203 O THR A 519 -3.940 -2.112 -0.537 1.00 0.00 O ATOM 204 CB THR A 519 -0.778 -1.175 0.820 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.534 -0.246 -0.221 1.00 0.00 O ATOM 206 CG2 THR A 519 0.566 -1.679 1.299 1.00 0.00 C ATOM 0 H THR A 519 -0.954 -4.262 0.306 1.00 0.00 H new ATOM 0 HA THR A 519 -2.247 -2.690 1.222 1.00 0.00 H new ATOM 0 HB THR A 519 -1.299 -0.702 1.652 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.679 0.664 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.180 -0.835 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.422 -2.357 2.140 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.066 -2.208 0.488 1.00 0.00 H new ATOM 214 N THR A 520 -2.322 -0.970 -1.598 1.00 0.00 N ATOM 215 CA THR A 520 -3.218 -0.414 -2.604 1.00 0.00 C ATOM 216 C THR A 520 -2.434 0.523 -3.510 1.00 0.00 C ATOM 217 O THR A 520 -2.284 0.270 -4.705 1.00 0.00 O ATOM 218 CB THR A 520 -4.382 0.329 -1.938 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.467 -0.550 -1.701 1.00 0.00 O ATOM 220 CG2 THR A 520 -4.906 1.488 -2.757 1.00 0.00 C ATOM 0 H THR A 520 -1.348 -0.685 -1.700 1.00 0.00 H new ATOM 0 HA THR A 520 -3.636 -1.225 -3.200 1.00 0.00 H new ATOM 0 HB THR A 520 -3.975 0.720 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.124 -1.445 -1.497 1.00 0.00 H new ATOM 0 HG21 THR A 520 -5.728 1.967 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.106 2.211 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.262 1.122 -3.720 1.00 0.00 H new ATOM 228 N GLN A 521 -1.902 1.585 -2.920 1.00 0.00 N ATOM 229 CA GLN A 521 -1.093 2.534 -3.665 1.00 0.00 C ATOM 230 C GLN A 521 0.261 1.916 -3.957 1.00 0.00 C ATOM 231 O GLN A 521 1.030 2.426 -4.771 1.00 0.00 O ATOM 232 CB GLN A 521 -0.932 3.844 -2.889 1.00 0.00 C ATOM 233 CG GLN A 521 -1.693 5.007 -3.507 1.00 0.00 C ATOM 234 CD GLN A 521 -2.677 5.646 -2.546 1.00 0.00 C ATOM 235 OE1 GLN A 521 -3.362 4.822 -1.759 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 -2.821 6.868 -2.512 1.00 0.00 N flip ATOM 0 H GLN A 521 -2.017 1.809 -1.931 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.594 2.767 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.276 3.696 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.126 4.099 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.982 5.761 -3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -2.230 4.656 -4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -2.274 7.463 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -3.487 7.285 -1.862 1.00 0.00 H new ATOM 245 N ASP A 522 0.536 0.797 -3.294 1.00 0.00 N ATOM 246 CA ASP A 522 1.781 0.095 -3.493 1.00 0.00 C ATOM 247 C ASP A 522 1.625 -0.996 -4.551 1.00 0.00 C ATOM 248 O ASP A 522 2.607 -1.580 -5.008 1.00 0.00 O ATOM 249 CB ASP A 522 2.291 -0.502 -2.180 1.00 0.00 C ATOM 250 CG ASP A 522 2.291 0.506 -1.046 1.00 0.00 C ATOM 251 OD1 ASP A 522 1.920 1.675 -1.287 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.664 0.127 0.084 1.00 0.00 O ATOM 0 H ASP A 522 -0.092 0.364 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 522 2.518 0.816 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.668 -1.353 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 522 3.303 -0.881 -2.325 1.00 0.00 H new ATOM 257 N GLU A 523 0.377 -1.267 -4.934 1.00 0.00 N ATOM 258 CA GLU A 523 0.074 -2.284 -5.934 1.00 0.00 C ATOM 259 C GLU A 523 1.005 -2.177 -7.142 1.00 0.00 C ATOM 260 O GLU A 523 1.271 -3.169 -7.821 1.00 0.00 O ATOM 261 CB GLU A 523 -1.385 -2.146 -6.383 1.00 0.00 C ATOM 262 CG GLU A 523 -1.642 -0.938 -7.272 1.00 0.00 C ATOM 263 CD GLU A 523 -1.969 -1.322 -8.702 1.00 0.00 C ATOM 264 OE1 GLU A 523 -1.569 -2.426 -9.126 1.00 0.00 O ATOM 265 OE2 GLU A 523 -2.625 -0.518 -9.398 1.00 0.00 O ATOM 0 H GLU A 523 -0.444 -0.791 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 523 0.228 -3.263 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -1.677 -3.049 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.022 -2.079 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -2.466 -0.357 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -0.763 -0.294 -7.265 1.00 0.00 H new ATOM 272 N GLY A 524 1.498 -0.971 -7.403 1.00 0.00 N ATOM 273 CA GLY A 524 2.391 -0.767 -8.525 1.00 0.00 C ATOM 274 C GLY A 524 2.209 0.593 -9.164 1.00 0.00 C ATOM 275 O GLY A 524 2.192 0.714 -10.390 1.00 0.00 O ATOM 0 H GLY A 524 1.295 -0.133 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 524 3.423 -0.873 -8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 524 2.217 -1.543 -9.271 1.00 0.00 H new ATOM 279 N ALA A 525 2.060 1.620 -8.334 1.00 0.00 N ATOM 280 CA ALA A 525 1.866 2.975 -8.832 1.00 0.00 C ATOM 281 C ALA A 525 3.148 3.798 -8.759 1.00 0.00 C ATOM 282 O ALA A 525 3.647 4.278 -9.776 1.00 0.00 O ATOM 283 CB ALA A 525 0.748 3.664 -8.066 1.00 0.00 C ATOM 0 H ALA A 525 2.070 1.540 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 525 1.586 2.901 -9.883 1.00 0.00 H new ATOM 0 HB1 ALA A 525 0.614 4.676 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.178 3.103 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 525 1.005 3.708 -7.008 1.00 0.00 H new ATOM 289 N ALA A 526 3.680 3.955 -7.553 1.00 0.00 N ATOM 290 CA ALA A 526 4.906 4.717 -7.356 1.00 0.00 C ATOM 291 C ALA A 526 5.871 3.934 -6.491 1.00 0.00 C ATOM 292 O ALA A 526 6.579 4.490 -5.652 1.00 0.00 O ATOM 293 CB ALA A 526 4.603 6.071 -6.732 1.00 0.00 C ATOM 0 H ALA A 526 3.282 3.565 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 526 5.369 4.889 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 526 5.532 6.624 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.940 6.634 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.119 5.926 -5.766 1.00 0.00 H new ATOM 299 N ILE A 527 5.866 2.630 -6.697 1.00 0.00 N ATOM 300 CA ILE A 527 6.709 1.728 -5.942 1.00 0.00 C ATOM 301 C ILE A 527 8.015 1.399 -6.662 1.00 0.00 C ATOM 302 O ILE A 527 8.841 0.645 -6.149 1.00 0.00 O ATOM 303 CB ILE A 527 5.937 0.440 -5.620 1.00 0.00 C ATOM 304 CG1 ILE A 527 5.381 -0.206 -6.897 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.801 0.776 -4.673 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.446 -0.733 -7.834 1.00 0.00 C ATOM 0 H ILE A 527 5.278 2.169 -7.391 1.00 0.00 H new ATOM 0 HA ILE A 527 6.981 2.237 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 527 6.616 -0.274 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.719 -1.026 -6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.775 0.527 -7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 527 4.244 -0.131 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 527 5.206 1.203 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 527 4.135 1.498 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.973 -1.174 -8.712 1.00 0.00 H new ATOM 0 HD12 ILE A 527 7.095 0.086 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 527 7.038 -1.491 -7.322 1.00 0.00 H new ATOM 318 N GLY A 528 8.194 1.960 -7.853 1.00 0.00 N ATOM 319 CA GLY A 528 9.395 1.702 -8.625 1.00 0.00 C ATOM 320 C GLY A 528 10.684 2.045 -7.897 1.00 0.00 C ATOM 321 O GLY A 528 11.764 1.650 -8.338 1.00 0.00 O ATOM 0 H GLY A 528 7.527 2.590 -8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 528 9.416 0.648 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 528 9.349 2.275 -9.551 1.00 0.00 H new ATOM 325 N LEU A 529 10.592 2.784 -6.792 1.00 0.00 N ATOM 326 CA LEU A 529 11.786 3.166 -6.045 1.00 0.00 C ATOM 327 C LEU A 529 12.019 2.251 -4.846 1.00 0.00 C ATOM 328 O LEU A 529 13.160 2.005 -4.455 1.00 0.00 O ATOM 329 CB LEU A 529 11.674 4.617 -5.574 1.00 0.00 C ATOM 330 CG LEU A 529 10.431 4.932 -4.737 1.00 0.00 C ATOM 331 CD1 LEU A 529 10.812 5.700 -3.478 1.00 0.00 C ATOM 332 CD2 LEU A 529 9.420 5.721 -5.556 1.00 0.00 C ATOM 0 H LEU A 529 9.715 3.126 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 529 12.639 3.065 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.560 4.862 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.680 5.268 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 529 9.972 3.989 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 529 9.915 5.914 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 529 11.497 5.100 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 529 11.297 6.636 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 529 8.544 5.935 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 529 9.870 6.657 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 529 9.121 5.136 -6.426 1.00 0.00 H new ATOM 344 N ALA A 530 10.934 1.769 -4.253 1.00 0.00 N ATOM 345 CA ALA A 530 11.022 0.902 -3.082 1.00 0.00 C ATOM 346 C ALA A 530 10.768 -0.563 -3.410 1.00 0.00 C ATOM 347 O ALA A 530 10.756 -1.407 -2.514 1.00 0.00 O ATOM 348 CB ALA A 530 10.036 1.356 -2.033 1.00 0.00 C ATOM 0 H ALA A 530 9.982 1.963 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 530 12.043 0.980 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.106 0.705 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.263 2.381 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 530 9.026 1.310 -2.439 1.00 0.00 H new ATOM 354 N TRP A 531 10.544 -0.869 -4.679 1.00 0.00 N ATOM 355 CA TRP A 531 10.270 -2.242 -5.086 1.00 0.00 C ATOM 356 C TRP A 531 11.489 -3.152 -4.929 1.00 0.00 C ATOM 357 O TRP A 531 11.606 -4.163 -5.623 1.00 0.00 O ATOM 358 CB TRP A 531 9.775 -2.266 -6.527 1.00 0.00 C ATOM 359 CG TRP A 531 9.045 -3.525 -6.881 1.00 0.00 C ATOM 360 CD1 TRP A 531 8.023 -4.103 -6.182 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.279 -4.363 -8.018 1.00 0.00 C ATOM 362 NE1 TRP A 531 7.609 -5.249 -6.815 1.00 0.00 N ATOM 363 CE2 TRP A 531 8.363 -5.430 -7.945 1.00 0.00 C ATOM 364 CE3 TRP A 531 10.173 -4.314 -9.091 1.00 0.00 C ATOM 365 CZ2 TRP A 531 8.317 -6.439 -8.904 1.00 0.00 C ATOM 366 CZ3 TRP A 531 10.126 -5.316 -10.042 1.00 0.00 C ATOM 367 CH2 TRP A 531 9.205 -6.365 -9.943 1.00 0.00 C ATOM 0 H TRP A 531 10.546 -0.191 -5.441 1.00 0.00 H new ATOM 0 HA TRP A 531 9.495 -2.630 -4.425 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.116 -1.413 -6.692 1.00 0.00 H new ATOM 0 HB3 TRP A 531 10.625 -2.146 -7.198 1.00 0.00 H new ATOM 0 HD1 TRP A 531 7.602 -3.715 -5.266 1.00 0.00 H new ATOM 0 HE1 TRP A 531 6.862 -5.865 -6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 531 10.887 -3.508 -9.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 7.607 -7.250 -8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 10.812 -5.289 -10.876 1.00 0.00 H new ATOM 0 HH2 TRP A 531 9.195 -7.133 -10.703 1.00 0.00 H new ATOM 378 N ILE A 532 12.379 -2.804 -4.004 1.00 0.00 N ATOM 379 CA ILE A 532 13.570 -3.599 -3.744 1.00 0.00 C ATOM 380 C ILE A 532 14.142 -3.266 -2.367 1.00 0.00 C ATOM 381 O ILE A 532 15.190 -2.632 -2.256 1.00 0.00 O ATOM 382 CB ILE A 532 14.658 -3.368 -4.813 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.999 -1.879 -4.915 1.00 0.00 C ATOM 384 CG2 ILE A 532 14.204 -3.908 -6.161 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.405 -1.549 -4.461 1.00 0.00 C ATOM 0 H ILE A 532 12.295 -1.972 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 532 13.271 -4.646 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 532 15.557 -3.907 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.874 -1.556 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.289 -1.310 -4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.984 -3.736 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 532 14.011 -4.978 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 532 13.292 -3.397 -6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.577 -0.477 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.529 -1.841 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 532 17.123 -2.091 -5.077 1.00 0.00 H new ATOM 397 N PRO A 533 13.443 -3.685 -1.295 1.00 0.00 N ATOM 398 CA PRO A 533 13.857 -3.432 0.090 1.00 0.00 C ATOM 399 C PRO A 533 15.344 -3.689 0.328 1.00 0.00 C ATOM 400 O PRO A 533 15.737 -4.771 0.763 1.00 0.00 O ATOM 401 CB PRO A 533 13.005 -4.414 0.915 1.00 0.00 C ATOM 402 CG PRO A 533 12.238 -5.235 -0.075 1.00 0.00 C ATOM 403 CD PRO A 533 12.185 -4.433 -1.342 1.00 0.00 C ATOM 0 HA PRO A 533 13.710 -2.386 0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 533 13.636 -5.047 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.330 -3.878 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 533 12.726 -6.195 -0.244 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.234 -5.448 0.292 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.125 -5.071 -2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.320 -3.771 -1.367 1.00 0.00 H new ATOM 411 N TYR A 534 16.165 -2.681 0.045 1.00 0.00 N ATOM 412 CA TYR A 534 17.607 -2.789 0.234 1.00 0.00 C ATOM 413 C TYR A 534 18.034 -2.189 1.573 1.00 0.00 C ATOM 414 O TYR A 534 18.975 -2.668 2.206 1.00 0.00 O ATOM 415 CB TYR A 534 18.343 -2.086 -0.908 1.00 0.00 C ATOM 416 CG TYR A 534 19.804 -2.463 -1.012 1.00 0.00 C ATOM 417 CD1 TYR A 534 20.710 -2.083 -0.030 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.275 -3.200 -2.090 1.00 0.00 C ATOM 419 CE1 TYR A 534 22.046 -2.425 -0.121 1.00 0.00 C ATOM 420 CE2 TYR A 534 21.610 -3.547 -2.188 1.00 0.00 C ATOM 421 CZ TYR A 534 22.491 -3.157 -1.202 1.00 0.00 C ATOM 422 OH TYR A 534 23.819 -3.501 -1.296 1.00 0.00 O ATOM 0 H TYR A 534 15.855 -1.779 -0.317 1.00 0.00 H new ATOM 0 HA TYR A 534 17.868 -3.847 0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.847 -2.324 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.264 -1.008 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 534 20.365 -1.511 0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 534 19.588 -3.507 -2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 534 22.738 -2.121 0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 534 21.961 -4.121 -3.033 1.00 0.00 H new ATOM 0 HH TYR A 534 23.966 -4.016 -2.116 1.00 0.00 H new ATOM 432 N PHE A 535 17.342 -1.133 1.989 1.00 0.00 N ATOM 433 CA PHE A 535 17.653 -0.454 3.244 1.00 0.00 C ATOM 434 C PHE A 535 17.502 -1.390 4.441 1.00 0.00 C ATOM 435 O PHE A 535 18.253 -1.292 5.412 1.00 0.00 O ATOM 436 CB PHE A 535 16.748 0.769 3.421 1.00 0.00 C ATOM 437 CG PHE A 535 17.492 2.073 3.395 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.214 2.452 2.275 1.00 0.00 C ATOM 439 CD2 PHE A 535 17.466 2.921 4.490 1.00 0.00 C ATOM 440 CE1 PHE A 535 18.898 3.652 2.248 1.00 0.00 C ATOM 441 CE2 PHE A 535 18.150 4.123 4.469 1.00 0.00 C ATOM 442 CZ PHE A 535 18.866 4.489 3.346 1.00 0.00 C ATOM 0 H PHE A 535 16.560 -0.727 1.475 1.00 0.00 H new ATOM 0 HA PHE A 535 18.693 -0.132 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 535 15.997 0.773 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 535 16.215 0.683 4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 535 18.242 1.802 1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 535 16.906 2.641 5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 535 19.457 3.935 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 535 18.124 4.775 5.330 1.00 0.00 H new ATOM 0 HZ PHE A 535 19.400 5.428 3.327 1.00 0.00 H new ATOM 452 N GLY A 536 16.530 -2.293 4.370 1.00 0.00 N ATOM 453 CA GLY A 536 16.307 -3.224 5.462 1.00 0.00 C ATOM 454 C GLY A 536 14.838 -3.551 5.659 1.00 0.00 C ATOM 455 O GLY A 536 14.467 -4.724 5.728 1.00 0.00 O ATOM 0 H GLY A 536 15.894 -2.397 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 536 16.858 -4.145 5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 536 16.708 -2.801 6.383 1.00 0.00 H new ATOM 459 N PRO A 537 13.967 -2.531 5.748 1.00 0.00 N ATOM 460 CA PRO A 537 12.532 -2.735 5.929 1.00 0.00 C ATOM 461 C PRO A 537 11.870 -3.209 4.643 1.00 0.00 C ATOM 462 O PRO A 537 12.549 -3.642 3.713 1.00 0.00 O ATOM 463 CB PRO A 537 11.996 -1.350 6.324 1.00 0.00 C ATOM 464 CG PRO A 537 13.183 -0.443 6.412 1.00 0.00 C ATOM 465 CD PRO A 537 14.306 -1.107 5.666 1.00 0.00 C ATOM 0 HA PRO A 537 12.323 -3.501 6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.283 -0.985 5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.471 -1.395 7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 537 12.956 0.531 5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.460 -0.272 7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 537 14.360 -0.765 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 537 15.273 -0.896 6.123 1.00 0.00 H new ATOM 473 N ALA A 538 10.547 -3.116 4.587 1.00 0.00 N ATOM 474 CA ALA A 538 9.817 -3.528 3.398 1.00 0.00 C ATOM 475 C ALA A 538 10.112 -2.582 2.245 1.00 0.00 C ATOM 476 O ALA A 538 10.393 -3.017 1.128 1.00 0.00 O ATOM 477 CB ALA A 538 8.322 -3.579 3.670 1.00 0.00 C ATOM 0 H ALA A 538 9.963 -2.762 5.345 1.00 0.00 H new ATOM 0 HA ALA A 538 10.147 -4.530 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 538 7.798 -3.889 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 538 8.122 -4.293 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 538 7.973 -2.591 3.970 1.00 0.00 H new ATOM 483 N ALA A 539 10.050 -1.281 2.526 1.00 0.00 N ATOM 484 CA ALA A 539 10.314 -0.255 1.513 1.00 0.00 C ATOM 485 C ALA A 539 9.206 -0.200 0.477 1.00 0.00 C ATOM 486 O ALA A 539 8.629 0.855 0.211 1.00 0.00 O ATOM 487 CB ALA A 539 11.628 -0.531 0.817 1.00 0.00 C ATOM 0 H ALA A 539 9.819 -0.910 3.448 1.00 0.00 H new ATOM 0 HA ALA A 539 10.361 0.706 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.811 0.239 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.436 -0.524 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.585 -1.506 0.333 1.00 0.00 H new ATOM 493 N GLU A 540 8.935 -1.357 -0.108 1.00 0.00 N ATOM 494 CA GLU A 540 7.918 -1.520 -1.140 1.00 0.00 C ATOM 495 C GLU A 540 6.680 -0.659 -0.875 1.00 0.00 C ATOM 496 O GLU A 540 5.982 -0.262 -1.808 1.00 0.00 O ATOM 497 CB GLU A 540 7.538 -2.995 -1.217 1.00 0.00 C ATOM 498 CG GLU A 540 8.302 -3.768 -2.280 1.00 0.00 C ATOM 499 CD GLU A 540 7.780 -5.180 -2.462 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.571 -5.336 -2.731 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.581 -6.129 -2.337 1.00 0.00 O ATOM 0 H GLU A 540 9.422 -2.223 0.123 1.00 0.00 H new ATOM 0 HA GLU A 540 8.331 -1.184 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.715 -3.458 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.470 -3.076 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 540 8.237 -3.235 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.357 -3.807 -2.008 1.00 0.00 H new ATOM 508 N GLY A 541 6.422 -0.360 0.394 1.00 0.00 N ATOM 509 CA GLY A 541 5.284 0.468 0.743 1.00 0.00 C ATOM 510 C GLY A 541 5.688 1.669 1.578 1.00 0.00 C ATOM 511 O GLY A 541 5.258 2.793 1.318 1.00 0.00 O ATOM 0 H GLY A 541 6.981 -0.677 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.791 0.809 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.557 -0.129 1.294 1.00 0.00 H new ATOM 515 N ILE A 542 6.514 1.423 2.588 1.00 0.00 N ATOM 516 CA ILE A 542 6.980 2.479 3.484 1.00 0.00 C ATOM 517 C ILE A 542 8.020 3.387 2.828 1.00 0.00 C ATOM 518 O ILE A 542 8.189 4.535 3.238 1.00 0.00 O ATOM 519 CB ILE A 542 7.579 1.894 4.781 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.619 0.816 4.462 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.477 1.326 5.663 1.00 0.00 C ATOM 522 CD1 ILE A 542 10.026 1.351 4.307 1.00 0.00 C ATOM 0 H ILE A 542 6.878 0.496 2.809 1.00 0.00 H new ATOM 0 HA ILE A 542 6.099 3.076 3.722 1.00 0.00 H new ATOM 0 HB ILE A 542 8.078 2.699 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.610 0.069 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.331 0.307 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.914 0.917 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.774 2.118 5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.952 0.536 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.705 0.529 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.052 2.076 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.336 1.834 5.234 1.00 0.00 H new ATOM 534 N TYR A 543 8.716 2.881 1.812 1.00 0.00 N ATOM 535 CA TYR A 543 9.730 3.675 1.123 1.00 0.00 C ATOM 536 C TYR A 543 9.298 3.984 -0.308 1.00 0.00 C ATOM 537 O TYR A 543 9.932 4.777 -1.003 1.00 0.00 O ATOM 538 CB TYR A 543 11.075 2.945 1.125 1.00 0.00 C ATOM 539 CG TYR A 543 12.250 3.839 0.799 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.628 4.863 1.659 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.982 3.660 -0.368 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.701 5.683 1.364 1.00 0.00 C ATOM 543 CE2 TYR A 543 14.056 4.475 -0.670 1.00 0.00 C ATOM 544 CZ TYR A 543 14.411 5.484 0.199 1.00 0.00 C ATOM 545 OH TYR A 543 15.481 6.298 -0.098 1.00 0.00 O ATOM 0 H TYR A 543 8.598 1.934 1.451 1.00 0.00 H new ATOM 0 HA TYR A 543 9.843 4.618 1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.233 2.495 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 543 11.038 2.130 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 543 12.074 5.021 2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.707 2.870 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.982 6.475 2.042 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.614 4.322 -1.582 1.00 0.00 H new ATOM 0 HH TYR A 543 15.873 6.024 -0.953 1.00 0.00 H new ATOM 555 N ALA A 544 8.207 3.358 -0.732 1.00 0.00 N ATOM 556 CA ALA A 544 7.666 3.562 -2.065 1.00 0.00 C ATOM 557 C ALA A 544 6.450 4.467 -1.997 1.00 0.00 C ATOM 558 O ALA A 544 6.204 5.276 -2.892 1.00 0.00 O ATOM 559 CB ALA A 544 7.296 2.222 -2.669 1.00 0.00 C ATOM 0 H ALA A 544 7.676 2.698 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 544 8.417 4.040 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.890 2.373 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 544 8.184 1.592 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.548 1.735 -2.044 1.00 0.00 H new ATOM 565 N GLU A 545 5.690 4.318 -0.917 1.00 0.00 N ATOM 566 CA GLU A 545 4.488 5.114 -0.708 1.00 0.00 C ATOM 567 C GLU A 545 4.603 5.958 0.557 1.00 0.00 C ATOM 568 O GLU A 545 4.073 7.067 0.628 1.00 0.00 O ATOM 569 CB GLU A 545 3.279 4.190 -0.596 1.00 0.00 C ATOM 570 CG GLU A 545 1.985 4.926 -0.288 1.00 0.00 C ATOM 571 CD GLU A 545 1.473 5.716 -1.479 1.00 0.00 C ATOM 572 OE1 GLU A 545 2.187 5.778 -2.503 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.359 6.271 -1.390 1.00 0.00 O ATOM 0 H GLU A 545 5.887 3.651 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 545 4.367 5.785 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 545 3.163 3.641 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.465 3.454 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.226 4.208 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 545 2.145 5.602 0.552 1.00 0.00 H new ATOM 580 N GLY A 546 5.309 5.423 1.549 1.00 0.00 N ATOM 581 CA GLY A 546 5.505 6.117 2.808 1.00 0.00 C ATOM 582 C GLY A 546 4.279 6.874 3.291 1.00 0.00 C ATOM 583 O GLY A 546 4.405 7.985 3.805 1.00 0.00 O ATOM 0 H GLY A 546 5.755 4.507 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.796 5.393 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.333 6.817 2.701 1.00 0.00 H new ATOM 587 N LEU A 547 3.092 6.285 3.141 1.00 0.00 N ATOM 588 CA LEU A 547 1.875 6.953 3.592 1.00 0.00 C ATOM 589 C LEU A 547 0.648 6.038 3.511 1.00 0.00 C ATOM 590 O LEU A 547 0.021 5.747 4.530 1.00 0.00 O ATOM 591 CB LEU A 547 1.687 8.264 2.801 1.00 0.00 C ATOM 592 CG LEU A 547 0.402 8.417 1.972 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.214 9.790 2.193 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.701 8.205 0.494 1.00 0.00 C ATOM 0 H LEU A 547 2.950 5.367 2.720 1.00 0.00 H new ATOM 0 HA LEU A 547 1.982 7.200 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.731 9.092 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.537 8.375 2.127 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.313 7.661 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.123 9.881 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.457 9.914 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.496 10.560 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.217 8.316 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.430 8.943 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 547 1.104 7.204 0.344 1.00 0.00 H new ATOM 606 N MET A 548 0.306 5.586 2.311 1.00 0.00 N ATOM 607 CA MET A 548 -0.846 4.708 2.130 1.00 0.00 C ATOM 608 C MET A 548 -0.436 3.240 2.098 1.00 0.00 C ATOM 609 O MET A 548 -1.233 2.372 1.749 1.00 0.00 O ATOM 610 CB MET A 548 -1.616 5.069 0.861 1.00 0.00 C ATOM 611 CG MET A 548 -2.842 5.930 1.127 1.00 0.00 C ATOM 612 SD MET A 548 -2.772 7.532 0.303 1.00 0.00 S ATOM 613 CE MET A 548 -4.505 7.983 0.288 1.00 0.00 C ATOM 0 H MET A 548 0.807 5.811 1.451 1.00 0.00 H new ATOM 0 HA MET A 548 -1.500 4.856 2.989 1.00 0.00 H new ATOM 0 HB2 MET A 548 -0.951 5.597 0.178 1.00 0.00 H new ATOM 0 HB3 MET A 548 -1.926 4.152 0.359 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.733 5.396 0.796 1.00 0.00 H new ATOM 0 HG3 MET A 548 -2.944 6.085 2.201 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.624 8.955 -0.192 1.00 0.00 H new ATOM 0 HE2 MET A 548 -5.071 7.233 -0.265 1.00 0.00 H new ATOM 0 HE3 MET A 548 -4.876 8.036 1.312 1.00 0.00 H new ATOM 623 N HIS A 549 0.803 2.962 2.470 1.00 0.00 N ATOM 624 CA HIS A 549 1.292 1.593 2.492 1.00 0.00 C ATOM 625 C HIS A 549 0.536 0.764 3.530 1.00 0.00 C ATOM 626 O HIS A 549 0.674 -0.456 3.585 1.00 0.00 O ATOM 627 CB HIS A 549 2.790 1.569 2.793 1.00 0.00 C ATOM 628 CG HIS A 549 3.132 2.059 4.166 1.00 0.00 C ATOM 629 ND1 HIS A 549 3.689 3.222 4.581 1.00 0.00 N flip ATOM 630 CD2 HIS A 549 2.899 1.321 5.308 1.00 0.00 C flip ATOM 631 CE1 HIS A 549 3.780 3.165 5.950 1.00 0.00 C flip ATOM 632 NE2 HIS A 549 3.296 2.008 6.363 1.00 0.00 N flip ATOM 0 H HIS A 549 1.486 3.662 2.760 1.00 0.00 H new ATOM 0 HA HIS A 549 1.121 1.155 1.509 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.159 0.550 2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 549 3.310 2.182 2.057 1.00 0.00 H new ATOM 0 HD2 HIS A 549 2.460 0.335 5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 549 4.182 3.940 6.585 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.239 1.698 7.333 1.00 0.00 H new ATOM 641 N ASN A 550 -0.244 1.435 4.373 1.00 0.00 N ATOM 642 CA ASN A 550 -0.994 0.751 5.417 1.00 0.00 C ATOM 643 C ASN A 550 -2.431 0.457 5.002 1.00 0.00 C ATOM 644 O ASN A 550 -2.975 -0.594 5.340 1.00 0.00 O ATOM 645 CB ASN A 550 -0.984 1.590 6.694 1.00 0.00 C ATOM 646 CG ASN A 550 0.225 1.307 7.565 1.00 0.00 C ATOM 647 OD1 ASN A 550 1.010 2.205 7.866 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.379 0.053 7.974 1.00 0.00 N ATOM 0 H ASN A 550 -0.372 2.447 4.353 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.506 -0.207 5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -0.998 2.648 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.892 1.391 7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.174 -0.198 8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.297 -0.660 7.700 1.00 0.00 H new ATOM 655 N GLN A 551 -3.044 1.386 4.282 1.00 0.00 N ATOM 656 CA GLN A 551 -4.425 1.218 3.834 1.00 0.00 C ATOM 657 C GLN A 551 -4.538 0.050 2.863 1.00 0.00 C ATOM 658 O GLN A 551 -4.721 0.239 1.660 1.00 0.00 O ATOM 659 CB GLN A 551 -4.940 2.498 3.177 1.00 0.00 C ATOM 660 CG GLN A 551 -4.045 3.007 2.062 1.00 0.00 C ATOM 661 CD GLN A 551 -4.779 3.170 0.744 1.00 0.00 C ATOM 662 OE1 GLN A 551 -4.253 2.835 -0.316 1.00 0.00 O ATOM 663 NE2 GLN A 551 -5.999 3.688 0.805 1.00 0.00 N ATOM 0 H GLN A 551 -2.610 2.263 3.994 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.039 1.004 4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -5.938 2.316 2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.038 3.273 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.618 3.966 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.213 2.316 1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -6.396 3.952 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -6.539 3.822 -0.050 1.00 0.00 H new ATOM 672 N ASP A 552 -4.425 -1.157 3.400 1.00 0.00 N ATOM 673 CA ASP A 552 -4.511 -2.371 2.599 1.00 0.00 C ATOM 674 C ASP A 552 -5.941 -2.904 2.556 1.00 0.00 C ATOM 675 O ASP A 552 -6.162 -4.087 2.303 1.00 0.00 O ATOM 676 CB ASP A 552 -3.578 -3.440 3.167 1.00 0.00 C ATOM 677 CG ASP A 552 -3.873 -3.750 4.621 1.00 0.00 C ATOM 678 OD1 ASP A 552 -4.944 -4.332 4.899 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.034 -3.414 5.481 1.00 0.00 O ATOM 0 H ASP A 552 -4.272 -1.322 4.395 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.207 -2.126 1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -3.673 -4.352 2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.545 -3.105 3.072 1.00 0.00 H new ATOM 684 N GLY A 553 -6.906 -2.027 2.817 1.00 0.00 N ATOM 685 CA GLY A 553 -8.298 -2.429 2.818 1.00 0.00 C ATOM 686 C GLY A 553 -8.975 -2.106 4.134 1.00 0.00 C ATOM 687 O GLY A 553 -10.182 -1.872 4.181 1.00 0.00 O ATOM 0 H GLY A 553 -6.746 -1.042 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.823 -1.925 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.367 -3.500 2.627 1.00 0.00 H new ATOM 691 N LEU A 554 -8.186 -2.077 5.203 1.00 0.00 N ATOM 692 CA LEU A 554 -8.699 -1.759 6.529 1.00 0.00 C ATOM 693 C LEU A 554 -9.299 -0.362 6.535 1.00 0.00 C ATOM 694 O LEU A 554 -10.487 -0.175 6.800 1.00 0.00 O ATOM 695 CB LEU A 554 -7.570 -1.829 7.554 1.00 0.00 C ATOM 696 CG LEU A 554 -6.614 -3.016 7.386 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.213 -2.532 7.045 1.00 0.00 C ATOM 698 CD2 LEU A 554 -6.593 -3.870 8.645 1.00 0.00 C ATOM 0 H LEU A 554 -7.185 -2.271 5.175 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.471 -2.484 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -6.992 -0.906 7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.007 -1.873 8.551 1.00 0.00 H new ATOM 0 HG LEU A 554 -6.974 -3.631 6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -4.550 -3.389 6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.240 -1.967 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -4.844 -1.893 7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -5.909 -4.707 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -6.260 -3.266 9.489 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -7.595 -4.250 8.844 1.00 0.00 H new ATOM 710 N ILE A 555 -8.454 0.611 6.233 1.00 0.00 N ATOM 711 CA ILE A 555 -8.856 2.001 6.185 1.00 0.00 C ATOM 712 C ILE A 555 -9.714 2.266 4.954 1.00 0.00 C ATOM 713 O ILE A 555 -9.284 2.917 4.002 1.00 0.00 O ATOM 714 CB ILE A 555 -7.612 2.901 6.157 1.00 0.00 C ATOM 715 CG1 ILE A 555 -6.750 2.684 7.409 1.00 0.00 C ATOM 716 CG2 ILE A 555 -7.994 4.367 6.013 1.00 0.00 C ATOM 717 CD1 ILE A 555 -7.535 2.296 8.646 1.00 0.00 C ATOM 0 H ILE A 555 -7.470 0.455 6.015 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.445 2.226 7.075 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.022 2.622 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.016 1.906 7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.195 3.599 7.617 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.092 4.978 5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.546 4.510 5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.618 4.665 6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.851 2.162 9.484 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.251 3.083 8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.069 1.364 8.461 1.00 0.00 H new ATOM 729 N CYS A 556 -10.928 1.740 4.986 1.00 0.00 N ATOM 730 CA CYS A 556 -11.871 1.890 3.883 1.00 0.00 C ATOM 731 C CYS A 556 -12.291 3.347 3.681 1.00 0.00 C ATOM 732 O CYS A 556 -12.955 3.668 2.699 1.00 0.00 O ATOM 733 CB CYS A 556 -13.112 1.029 4.131 1.00 0.00 C ATOM 734 SG CYS A 556 -12.847 -0.755 3.878 1.00 0.00 S ATOM 0 H CYS A 556 -11.289 1.199 5.772 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.365 1.559 2.976 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.455 1.192 5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.911 1.364 3.469 1.00 0.00 H new ATOM 739 N GLY A 557 -11.906 4.223 4.611 1.00 0.00 N ATOM 740 CA GLY A 557 -12.262 5.633 4.509 1.00 0.00 C ATOM 741 C GLY A 557 -11.888 6.270 3.178 1.00 0.00 C ATOM 742 O GLY A 557 -12.294 7.396 2.892 1.00 0.00 O ATOM 0 H GLY A 557 -11.354 3.981 5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -13.336 5.738 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.771 6.181 5.313 1.00 0.00 H new ATOM 746 N LEU A 558 -11.112 5.560 2.367 1.00 0.00 N ATOM 747 CA LEU A 558 -10.676 6.062 1.062 1.00 0.00 C ATOM 748 C LEU A 558 -11.829 6.170 0.056 1.00 0.00 C ATOM 749 O LEU A 558 -11.611 6.067 -1.151 1.00 0.00 O ATOM 750 CB LEU A 558 -9.601 5.135 0.498 1.00 0.00 C ATOM 751 CG LEU A 558 -10.017 3.664 0.400 1.00 0.00 C ATOM 752 CD1 LEU A 558 -10.921 3.442 -0.801 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.791 2.767 0.321 1.00 0.00 C ATOM 0 H LEU A 558 -10.767 4.626 2.590 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.281 7.066 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -9.320 5.487 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.712 5.207 1.125 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.575 3.404 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -11.205 2.391 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.816 4.056 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -10.391 3.720 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -9.106 1.726 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -8.205 3.028 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.182 2.903 1.215 1.00 0.00 H new ATOM 765 N ARG A 559 -13.048 6.375 0.546 1.00 0.00 N ATOM 766 CA ARG A 559 -14.214 6.489 -0.327 1.00 0.00 C ATOM 767 C ARG A 559 -14.611 7.949 -0.526 1.00 0.00 C ATOM 768 O ARG A 559 -13.907 8.859 -0.089 1.00 0.00 O ATOM 769 CB ARG A 559 -15.391 5.702 0.257 1.00 0.00 C ATOM 770 CG ARG A 559 -15.889 6.247 1.585 1.00 0.00 C ATOM 771 CD ARG A 559 -15.123 5.648 2.754 1.00 0.00 C ATOM 772 NE ARG A 559 -15.862 4.563 3.397 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.867 4.752 4.247 1.00 0.00 C ATOM 774 NH1 ARG A 559 -17.266 5.981 4.553 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.477 3.709 4.793 1.00 0.00 N ATOM 0 H ARG A 559 -13.255 6.466 1.541 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.950 6.071 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.212 5.708 -0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.092 4.662 0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -15.784 7.332 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.951 6.029 1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.162 5.273 2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.913 6.427 3.487 1.00 0.00 H new ATOM 0 HE ARG A 559 -15.591 3.604 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -16.801 6.787 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -18.038 6.119 5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -17.175 2.763 4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -18.248 3.853 5.445 1.00 0.00 H new ATOM 789 N GLN A 560 -15.745 8.164 -1.188 1.00 0.00 N ATOM 790 CA GLN A 560 -16.237 9.512 -1.445 1.00 0.00 C ATOM 791 C GLN A 560 -15.223 10.319 -2.250 1.00 0.00 C ATOM 792 O GLN A 560 -15.432 11.540 -2.410 1.00 0.00 O ATOM 793 CB GLN A 560 -16.545 10.224 -0.127 1.00 0.00 C ATOM 794 CG GLN A 560 -17.391 9.397 0.827 1.00 0.00 C ATOM 795 CD GLN A 560 -17.105 9.714 2.282 1.00 0.00 C ATOM 796 OE1 GLN A 560 -15.860 9.512 2.698 1.00 0.00 O flip ATOM 797 NE2 GLN A 560 -17.992 10.136 3.023 1.00 0.00 N flip ATOM 798 OXT GLN A 560 -14.227 9.722 -2.711 1.00 0.00 O ATOM 0 H GLN A 560 -16.339 7.421 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 560 -17.154 9.432 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -15.607 10.484 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -17.062 11.159 -0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -18.446 9.576 0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -17.206 8.338 0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -18.935 10.276 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.784 10.345 3.999 1.00 0.00 H new TER 807 GLN A 560