USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 430 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 5 ASN :FLIP amide:sc= -1.63! C(o=-2.3!,f=-0.92!) USER MOD Set 1.2: A 13 THR OG1 : rot 37:sc= 0.711! USER MOD Set 2.1: A 6 HIS :FLIP no HD1:sc= -1.17 F(o=-2,f=-1.1) USER MOD Set 2.2: A 9 THR OG1 : rot -174:sc= 0.0741 USER MOD Single : A 1 ARG N :NH3+ 148:sc= 0.143 (180deg=-1.23!) USER MOD Single : A 4 TYR OH : rot 30:sc= -1.08! USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.104) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -83:sc= 0.181 USER MOD Single : A 18 GLN : amide:sc= -1.73! X(o=-1.7!,f=-2) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= 0.543 (180deg=-0.554) USER MOD Single : A 25 ASN :FLIP amide:sc= -12.2! C(o=-15!,f=-12!) USER MOD Single : A 28 THR OG1 : rot -10:sc= 0.98 USER MOD Single : A 31 ASN : amide:sc= -2.77 X(o=-2.8,f=-2.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000413 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 99:sc= 0.369! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -7.97! C(o=-8!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.322 12.824 4.223 1.00 0.00 N ATOM 2 CA ARG A 1 2.034 12.851 2.765 1.00 0.00 C ATOM 3 C ARG A 1 0.678 12.186 2.496 1.00 0.00 C ATOM 4 O ARG A 1 -0.095 11.954 3.404 1.00 0.00 O ATOM 5 CB ARG A 1 3.130 12.092 2.024 1.00 0.00 C ATOM 6 CG ARG A 1 3.364 12.734 0.657 1.00 0.00 C ATOM 7 CD ARG A 1 3.363 11.647 -0.421 1.00 0.00 C ATOM 8 NE ARG A 1 4.406 11.936 -1.454 1.00 0.00 N ATOM 9 CZ ARG A 1 4.852 13.153 -1.643 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.061 14.181 -1.490 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.096 13.341 -1.990 1.00 0.00 N ATOM 0 H1 ARG A 1 3.348 12.746 4.373 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.973 13.700 4.662 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.846 12.007 4.656 1.00 0.00 H new ATOM 0 HA ARG A 1 2.003 13.884 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.052 12.105 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.844 11.047 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.586 13.468 0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.315 13.267 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.552 10.675 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.381 11.593 -0.891 1.00 0.00 H new ATOM 0 HE ARG A 1 4.776 11.173 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.087 14.040 -1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.417 15.125 -1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 1 6.717 12.542 -2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.447 14.287 -2.138 1.00 0.00 H new ATOM 27 N ILE A 2 0.376 11.874 1.257 1.00 0.00 N ATOM 28 CA ILE A 2 -0.938 11.225 0.958 1.00 0.00 C ATOM 29 C ILE A 2 -0.739 9.927 0.201 1.00 0.00 C ATOM 30 O ILE A 2 -0.314 9.927 -0.936 1.00 0.00 O ATOM 31 CB ILE A 2 -1.786 12.137 0.080 1.00 0.00 C ATOM 32 CG1 ILE A 2 -2.141 13.377 0.879 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.066 11.399 -0.330 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.358 14.577 0.347 1.00 0.00 C ATOM 0 H ILE A 2 0.976 12.039 0.449 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.431 11.033 1.911 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.236 12.419 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.212 13.571 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.912 13.220 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.675 12.049 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.805 10.498 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.629 11.125 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.616 15.465 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.289 14.383 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.609 14.740 -0.701 1.00 0.00 H new ATOM 46 N CYS A 3 -1.075 8.819 0.786 1.00 0.00 N ATOM 47 CA CYS A 3 -0.920 7.558 0.025 1.00 0.00 C ATOM 48 C CYS A 3 -2.249 6.802 -0.012 1.00 0.00 C ATOM 49 O CYS A 3 -3.156 7.080 0.747 1.00 0.00 O ATOM 50 CB CYS A 3 0.164 6.676 0.649 1.00 0.00 C ATOM 51 SG CYS A 3 1.769 7.507 0.540 1.00 0.00 S ATOM 0 H CYS A 3 -1.441 8.731 1.734 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.619 7.807 -0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.078 6.469 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.206 5.716 0.134 1.00 0.00 H new ATOM 56 N TYR A 4 -2.372 5.847 -0.898 1.00 0.00 N ATOM 57 CA TYR A 4 -3.643 5.077 -0.991 1.00 0.00 C ATOM 58 C TYR A 4 -3.715 4.091 0.175 1.00 0.00 C ATOM 59 O TYR A 4 -2.714 3.546 0.599 1.00 0.00 O ATOM 60 CB TYR A 4 -3.689 4.319 -2.319 1.00 0.00 C ATOM 61 CG TYR A 4 -4.045 5.283 -3.427 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.222 6.038 -3.344 1.00 0.00 C ATOM 63 CD2 TYR A 4 -3.202 5.426 -4.534 1.00 0.00 C ATOM 64 CE1 TYR A 4 -5.553 6.933 -4.367 1.00 0.00 C ATOM 65 CE2 TYR A 4 -3.533 6.321 -5.555 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.709 7.075 -5.472 1.00 0.00 C ATOM 67 OH TYR A 4 -5.034 7.957 -6.483 1.00 0.00 O ATOM 0 H TYR A 4 -1.647 5.569 -1.559 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.492 5.759 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.724 3.855 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.425 3.516 -2.268 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.874 5.929 -2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.294 4.844 -4.600 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.461 7.514 -4.303 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.881 6.431 -6.409 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.550 8.704 -6.113 1.00 0.00 H new ATOM 77 N ASN A 5 -4.880 3.880 0.723 1.00 0.00 N ATOM 78 CA ASN A 5 -4.987 2.956 1.885 1.00 0.00 C ATOM 79 C ASN A 5 -5.807 1.690 1.548 1.00 0.00 C ATOM 80 O ASN A 5 -5.694 0.688 2.223 1.00 0.00 O ATOM 81 CB ASN A 5 -5.634 3.722 3.057 1.00 0.00 C ATOM 82 CG ASN A 5 -6.493 2.785 3.909 1.00 0.00 C ATOM 83 OD1 ASN A 5 -5.968 1.682 4.359 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.648 3.060 4.161 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.756 4.304 0.419 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.988 2.617 2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.858 4.174 3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.248 4.536 2.671 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.055 3.925 3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.211 2.426 4.727 1.00 0.00 H new ATOM 91 N HIS A 6 -6.656 1.710 0.553 1.00 0.00 N ATOM 92 CA HIS A 6 -7.471 0.477 0.302 1.00 0.00 C ATOM 93 C HIS A 6 -6.627 -0.657 -0.250 1.00 0.00 C ATOM 94 O HIS A 6 -5.467 -0.505 -0.575 1.00 0.00 O ATOM 95 CB HIS A 6 -8.623 0.729 -0.656 1.00 0.00 C ATOM 96 CG HIS A 6 -9.775 -0.172 -0.301 1.00 0.00 C ATOM 97 ND1 HIS A 6 -10.417 -1.155 -1.013 1.00 0.00 N flip ATOM 98 CD2 HIS A 6 -10.404 -0.122 0.933 1.00 0.00 C flip ATOM 99 CE1 HIS A 6 -11.431 -1.708 -0.235 1.00 0.00 C flip ATOM 100 NE2 HIS A 6 -11.380 -1.050 0.927 1.00 0.00 N flip ATOM 0 H HIS A 6 -6.820 2.495 -0.078 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.873 0.193 1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.933 1.773 -0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.305 0.543 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.157 0.540 1.750 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.112 -2.499 -0.511 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.004 -1.229 1.714 1.00 0.00 H new ATOM 108 N LEU A 7 -7.230 -1.805 -0.342 1.00 0.00 N ATOM 109 CA LEU A 7 -6.515 -2.998 -0.859 1.00 0.00 C ATOM 110 C LEU A 7 -6.994 -3.339 -2.268 1.00 0.00 C ATOM 111 O LEU A 7 -7.735 -2.598 -2.874 1.00 0.00 O ATOM 112 CB LEU A 7 -6.779 -4.185 0.071 1.00 0.00 C ATOM 113 CG LEU A 7 -8.267 -4.237 0.422 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.720 -5.696 0.514 1.00 0.00 C ATOM 115 CD2 LEU A 7 -8.496 -3.543 1.767 1.00 0.00 C ATOM 0 H LEU A 7 -8.201 -1.969 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.447 -2.783 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.476 -5.114 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.183 -4.089 0.979 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.842 -3.729 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.780 -5.733 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.556 -6.189 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.147 -6.207 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.556 -3.579 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.921 -4.051 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.174 -2.504 1.700 1.00 0.00 H new ATOM 127 N GLY A 8 -6.551 -4.473 -2.757 1.00 0.00 N ATOM 128 CA GLY A 8 -6.920 -4.994 -4.124 1.00 0.00 C ATOM 129 C GLY A 8 -7.865 -4.068 -4.909 1.00 0.00 C ATOM 130 O GLY A 8 -7.550 -3.653 -6.006 1.00 0.00 O ATOM 0 H GLY A 8 -5.920 -5.089 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.009 -5.143 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.392 -5.971 -4.015 1.00 0.00 H new ATOM 134 N THR A 9 -9.024 -3.761 -4.382 1.00 0.00 N ATOM 135 CA THR A 9 -9.974 -2.888 -5.137 1.00 0.00 C ATOM 136 C THR A 9 -9.204 -1.731 -5.771 1.00 0.00 C ATOM 137 O THR A 9 -8.527 -0.973 -5.105 1.00 0.00 O ATOM 138 CB THR A 9 -11.038 -2.327 -4.192 1.00 0.00 C ATOM 139 OG1 THR A 9 -11.265 -3.246 -3.133 1.00 0.00 O ATOM 140 CG2 THR A 9 -12.338 -2.102 -4.965 1.00 0.00 C ATOM 0 H THR A 9 -9.352 -4.074 -3.468 1.00 0.00 H new ATOM 0 HA THR A 9 -10.460 -3.480 -5.912 1.00 0.00 H new ATOM 0 HB THR A 9 -10.694 -1.379 -3.779 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.011 -2.931 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.097 -1.702 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.162 -1.394 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.683 -3.049 -5.380 1.00 0.00 H new ATOM 148 N LYS A 10 -9.289 -1.615 -7.066 1.00 0.00 N ATOM 149 CA LYS A 10 -8.549 -0.536 -7.781 1.00 0.00 C ATOM 150 C LYS A 10 -8.730 0.808 -7.071 1.00 0.00 C ATOM 151 O LYS A 10 -7.764 1.381 -6.625 1.00 0.00 O ATOM 152 CB LYS A 10 -9.020 -0.442 -9.234 1.00 0.00 C ATOM 153 CG LYS A 10 -7.861 -0.794 -10.168 1.00 0.00 C ATOM 154 CD LYS A 10 -6.760 0.258 -10.026 1.00 0.00 C ATOM 155 CE LYS A 10 -5.533 -0.172 -10.832 1.00 0.00 C ATOM 156 NZ LYS A 10 -4.973 1.008 -11.550 1.00 0.00 N ATOM 0 H LYS A 10 -9.844 -2.226 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.488 -0.784 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.856 -1.121 -9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.380 0.565 -9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.470 -1.782 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.210 -0.835 -11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.119 1.225 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.493 0.381 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.780 -0.599 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.807 -0.949 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.226 0.695 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.729 1.477 -12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.574 1.676 -10.861 1.00 0.00 H new ATOM 170 N PRO A 11 -9.959 1.259 -6.988 1.00 0.00 N ATOM 171 CA PRO A 11 -10.317 2.540 -6.329 1.00 0.00 C ATOM 172 C PRO A 11 -10.329 2.357 -4.810 1.00 0.00 C ATOM 173 O PRO A 11 -11.254 1.782 -4.271 1.00 0.00 O ATOM 174 CB PRO A 11 -11.737 2.810 -6.835 1.00 0.00 C ATOM 175 CG PRO A 11 -12.314 1.436 -7.255 1.00 0.00 C ATOM 176 CD PRO A 11 -11.106 0.525 -7.543 1.00 0.00 C ATOM 0 HA PRO A 11 -9.621 3.349 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.347 3.267 -6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.725 3.501 -7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.936 1.018 -6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.946 1.534 -8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.221 -0.450 -7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.986 0.349 -8.612 1.00 0.00 H new ATOM 184 N PRO A 12 -9.290 2.812 -4.163 1.00 0.00 N ATOM 185 CA PRO A 12 -9.138 2.672 -2.717 1.00 0.00 C ATOM 186 C PRO A 12 -9.584 3.955 -2.014 1.00 0.00 C ATOM 187 O PRO A 12 -10.280 4.779 -2.575 1.00 0.00 O ATOM 188 CB PRO A 12 -7.622 2.533 -2.563 1.00 0.00 C ATOM 189 CG PRO A 12 -7.000 3.221 -3.798 1.00 0.00 C ATOM 190 CD PRO A 12 -8.150 3.489 -4.793 1.00 0.00 C ATOM 0 HA PRO A 12 -9.718 1.850 -2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.279 3.003 -1.641 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.330 1.484 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.510 4.153 -3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.239 2.586 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.334 4.556 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.933 3.082 -5.781 1.00 0.00 H new ATOM 198 N THR A 13 -9.135 4.153 -0.804 1.00 0.00 N ATOM 199 CA THR A 13 -9.464 5.400 -0.075 1.00 0.00 C ATOM 200 C THR A 13 -8.141 5.984 0.393 1.00 0.00 C ATOM 201 O THR A 13 -7.485 5.436 1.254 1.00 0.00 O ATOM 202 CB THR A 13 -10.348 5.100 1.129 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.608 4.352 2.083 1.00 0.00 O ATOM 204 CG2 THR A 13 -11.573 4.299 0.684 1.00 0.00 C ATOM 0 H THR A 13 -8.550 3.495 -0.289 1.00 0.00 H new ATOM 0 HA THR A 13 -10.007 6.094 -0.717 1.00 0.00 H new ATOM 0 HB THR A 13 -10.678 6.037 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.682 4.673 2.103 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.202 4.087 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.141 4.877 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.250 3.362 0.231 1.00 0.00 H new ATOM 212 N THR A 14 -7.715 7.063 -0.186 1.00 0.00 N ATOM 213 CA THR A 14 -6.403 7.627 0.215 1.00 0.00 C ATOM 214 C THR A 14 -6.299 7.676 1.730 1.00 0.00 C ATOM 215 O THR A 14 -7.281 7.634 2.445 1.00 0.00 O ATOM 216 CB THR A 14 -6.216 9.028 -0.358 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.388 9.799 -0.138 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.937 8.920 -1.852 1.00 0.00 C ATOM 0 H THR A 14 -8.212 7.577 -0.914 1.00 0.00 H new ATOM 0 HA THR A 14 -5.619 6.982 -0.182 1.00 0.00 H new ATOM 0 HB THR A 14 -5.377 9.518 0.136 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.262 10.698 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.802 9.918 -2.270 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.032 8.334 -2.012 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.777 8.431 -2.345 1.00 0.00 H new ATOM 226 N GLU A 15 -5.102 7.765 2.217 1.00 0.00 N ATOM 227 CA GLU A 15 -4.887 7.820 3.686 1.00 0.00 C ATOM 228 C GLU A 15 -3.651 8.665 3.959 1.00 0.00 C ATOM 229 O GLU A 15 -2.534 8.245 3.735 1.00 0.00 O ATOM 230 CB GLU A 15 -4.682 6.403 4.228 1.00 0.00 C ATOM 231 CG GLU A 15 -4.353 6.457 5.721 1.00 0.00 C ATOM 232 CD GLU A 15 -5.325 7.405 6.429 1.00 0.00 C ATOM 233 OE1 GLU A 15 -6.490 7.055 6.537 1.00 0.00 O ATOM 234 OE2 GLU A 15 -4.888 8.462 6.853 1.00 0.00 O ATOM 0 H GLU A 15 -4.251 7.803 1.656 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.754 8.261 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.582 5.809 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.874 5.911 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.422 5.459 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.328 6.797 5.865 1.00 0.00 H new ATOM 241 N THR A 16 -3.842 9.863 4.422 1.00 0.00 N ATOM 242 CA THR A 16 -2.680 10.748 4.684 1.00 0.00 C ATOM 243 C THR A 16 -1.834 10.177 5.820 1.00 0.00 C ATOM 244 O THR A 16 -2.331 9.817 6.868 1.00 0.00 O ATOM 245 CB THR A 16 -3.185 12.135 5.088 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.578 12.068 5.359 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.931 13.128 3.959 1.00 0.00 C ATOM 0 H THR A 16 -4.754 10.269 4.631 1.00 0.00 H new ATOM 0 HA THR A 16 -2.073 10.817 3.781 1.00 0.00 H new ATOM 0 HB THR A 16 -2.654 12.467 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.078 12.135 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.293 14.113 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.862 13.180 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.457 12.801 3.062 1.00 0.00 H new ATOM 255 N CYS A 17 -0.551 10.116 5.616 1.00 0.00 N ATOM 256 CA CYS A 17 0.362 9.597 6.670 1.00 0.00 C ATOM 257 C CYS A 17 1.582 10.506 6.720 1.00 0.00 C ATOM 258 O CYS A 17 1.596 11.559 6.121 1.00 0.00 O ATOM 259 CB CYS A 17 0.814 8.179 6.322 1.00 0.00 C ATOM 260 SG CYS A 17 -0.603 7.059 6.341 1.00 0.00 S ATOM 0 H CYS A 17 -0.090 10.407 4.754 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.152 9.578 7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.283 8.169 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.565 7.842 7.037 1.00 0.00 H new ATOM 265 N GLN A 18 2.612 10.117 7.409 1.00 0.00 N ATOM 266 CA GLN A 18 3.817 10.982 7.448 1.00 0.00 C ATOM 267 C GLN A 18 4.801 10.528 6.392 1.00 0.00 C ATOM 268 O GLN A 18 5.477 11.320 5.766 1.00 0.00 O ATOM 269 CB GLN A 18 4.514 10.879 8.788 1.00 0.00 C ATOM 270 CG GLN A 18 5.715 11.829 8.764 1.00 0.00 C ATOM 271 CD GLN A 18 5.250 13.218 8.304 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.983 14.082 9.115 1.00 0.00 O ATOM 273 NE2 GLN A 18 5.141 13.466 7.021 1.00 0.00 N ATOM 0 H GLN A 18 2.673 9.249 7.941 1.00 0.00 H new ATOM 0 HA GLN A 18 3.495 12.009 7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.832 11.146 9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.840 9.855 8.972 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.164 11.892 9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.482 11.448 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.365 12.740 6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.832 14.385 6.704 1.00 0.00 H new ATOM 282 N GLU A 19 4.906 9.254 6.211 1.00 0.00 N ATOM 283 CA GLU A 19 5.882 8.748 5.210 1.00 0.00 C ATOM 284 C GLU A 19 5.443 9.195 3.822 1.00 0.00 C ATOM 285 O GLU A 19 4.334 8.945 3.393 1.00 0.00 O ATOM 286 CB GLU A 19 5.978 7.213 5.225 1.00 0.00 C ATOM 287 CG GLU A 19 5.339 6.634 6.490 1.00 0.00 C ATOM 288 CD GLU A 19 5.976 7.275 7.725 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.780 8.176 7.552 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.648 6.856 8.822 1.00 0.00 O ATOM 0 H GLU A 19 4.368 8.541 6.704 1.00 0.00 H new ATOM 0 HA GLU A 19 6.862 9.152 5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.482 6.806 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.024 6.910 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.265 6.819 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.476 5.553 6.517 1.00 0.00 H new ATOM 297 N ASP A 20 6.317 9.845 3.108 1.00 0.00 N ATOM 298 CA ASP A 20 5.954 10.295 1.734 1.00 0.00 C ATOM 299 C ASP A 20 5.924 9.070 0.833 1.00 0.00 C ATOM 300 O ASP A 20 5.487 9.124 -0.299 1.00 0.00 O ATOM 301 CB ASP A 20 6.968 11.311 1.178 1.00 0.00 C ATOM 302 CG ASP A 20 7.930 11.778 2.273 1.00 0.00 C ATOM 303 OD1 ASP A 20 7.489 12.495 3.155 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.092 11.407 2.212 1.00 0.00 O ATOM 0 H ASP A 20 7.261 10.084 3.412 1.00 0.00 H new ATOM 0 HA ASP A 20 4.982 10.787 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.532 10.859 0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.439 12.169 0.763 1.00 0.00 H new ATOM 309 N SER A 21 6.375 7.955 1.336 1.00 0.00 N ATOM 310 CA SER A 21 6.361 6.723 0.522 1.00 0.00 C ATOM 311 C SER A 21 4.969 6.097 0.622 1.00 0.00 C ATOM 312 O SER A 21 4.187 6.445 1.484 1.00 0.00 O ATOM 313 CB SER A 21 7.417 5.747 1.049 1.00 0.00 C ATOM 314 OG SER A 21 8.709 6.314 0.872 1.00 0.00 O ATOM 0 H SER A 21 6.752 7.850 2.278 1.00 0.00 H new ATOM 0 HA SER A 21 6.590 6.953 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.241 5.537 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.348 4.797 0.519 1.00 0.00 H new ATOM 0 HG SER A 21 9.388 5.693 1.210 1.00 0.00 H new ATOM 320 N CYS A 22 4.652 5.168 -0.233 1.00 0.00 N ATOM 321 CA CYS A 22 3.316 4.511 -0.168 1.00 0.00 C ATOM 322 C CYS A 22 3.530 3.030 -0.452 1.00 0.00 C ATOM 323 O CYS A 22 4.244 2.675 -1.368 1.00 0.00 O ATOM 324 CB CYS A 22 2.381 5.108 -1.224 1.00 0.00 C ATOM 325 SG CYS A 22 2.535 6.913 -1.234 1.00 0.00 S ATOM 0 H CYS A 22 5.263 4.833 -0.978 1.00 0.00 H new ATOM 0 HA CYS A 22 2.862 4.662 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.627 4.708 -2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.350 4.823 -1.012 1.00 0.00 H new ATOM 330 N TYR A 23 2.954 2.149 0.315 1.00 0.00 N ATOM 331 CA TYR A 23 3.201 0.715 0.031 1.00 0.00 C ATOM 332 C TYR A 23 1.998 0.065 -0.622 1.00 0.00 C ATOM 333 O TYR A 23 0.868 0.219 -0.209 1.00 0.00 O ATOM 334 CB TYR A 23 3.559 -0.062 1.308 1.00 0.00 C ATOM 335 CG TYR A 23 2.311 -0.401 2.117 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.440 -1.404 1.669 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.037 0.259 3.326 1.00 0.00 C ATOM 338 CE1 TYR A 23 0.306 -1.741 2.416 1.00 0.00 C ATOM 339 CE2 TYR A 23 0.899 -0.078 4.070 1.00 0.00 C ATOM 340 CZ TYR A 23 0.036 -1.078 3.616 1.00 0.00 C ATOM 341 OH TYR A 23 -1.082 -1.412 4.353 1.00 0.00 O ATOM 0 H TYR A 23 2.340 2.353 1.104 1.00 0.00 H new ATOM 0 HA TYR A 23 4.046 0.677 -0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.084 -0.980 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.241 0.530 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.645 -1.919 0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.705 1.028 3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.361 -2.514 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.689 0.436 4.996 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.120 -0.857 5.159 1.00 0.00 H new ATOM 351 N LYS A 24 2.267 -0.699 -1.622 1.00 0.00 N ATOM 352 CA LYS A 24 1.200 -1.445 -2.321 1.00 0.00 C ATOM 353 C LYS A 24 1.756 -2.834 -2.571 1.00 0.00 C ATOM 354 O LYS A 24 2.490 -3.069 -3.509 1.00 0.00 O ATOM 355 CB LYS A 24 0.859 -0.768 -3.630 1.00 0.00 C ATOM 356 CG LYS A 24 -0.516 -1.234 -4.076 1.00 0.00 C ATOM 357 CD LYS A 24 -0.598 -1.135 -5.592 1.00 0.00 C ATOM 358 CE LYS A 24 -1.959 -0.570 -5.996 1.00 0.00 C ATOM 359 NZ LYS A 24 -2.466 -1.312 -7.186 1.00 0.00 N ATOM 0 H LYS A 24 3.204 -0.844 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 24 0.285 -1.484 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.870 0.315 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.604 -1.012 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.689 -2.261 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.290 -0.621 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.199 -0.494 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.454 -2.119 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.663 -0.661 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.871 0.492 -6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.858 -0.638 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.685 -1.840 -7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.210 -1.976 -6.890 1.00 0.00 H new ATOM 373 N ASN A 25 1.466 -3.740 -1.692 1.00 0.00 N ATOM 374 CA ASN A 25 2.036 -5.103 -1.818 1.00 0.00 C ATOM 375 C ASN A 25 1.046 -6.019 -2.521 1.00 0.00 C ATOM 376 O ASN A 25 -0.138 -5.776 -2.524 1.00 0.00 O ATOM 377 CB ASN A 25 2.371 -5.644 -0.418 1.00 0.00 C ATOM 378 CG ASN A 25 2.637 -4.484 0.548 1.00 0.00 C ATOM 379 OD1 ASN A 25 3.145 -3.370 0.095 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 2.376 -4.593 1.728 1.00 0.00 N flip ATOM 0 H ASN A 25 0.856 -3.597 -0.887 1.00 0.00 H new ATOM 0 HA ASN A 25 2.948 -5.064 -2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.546 -6.253 -0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.246 -6.291 -0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.979 -5.462 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.554 -3.815 2.364 1.00 0.00 H new ATOM 387 N ILE A 26 1.529 -7.064 -3.129 1.00 0.00 N ATOM 388 CA ILE A 26 0.619 -7.998 -3.846 1.00 0.00 C ATOM 389 C ILE A 26 -0.052 -8.935 -2.845 1.00 0.00 C ATOM 390 O ILE A 26 -1.130 -9.441 -3.084 1.00 0.00 O ATOM 391 CB ILE A 26 1.415 -8.814 -4.869 1.00 0.00 C ATOM 392 CG1 ILE A 26 2.251 -9.889 -4.158 1.00 0.00 C ATOM 393 CG2 ILE A 26 2.331 -7.884 -5.663 1.00 0.00 C ATOM 394 CD1 ILE A 26 3.484 -9.269 -3.491 1.00 0.00 C ATOM 0 H ILE A 26 2.518 -7.313 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.147 -7.423 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 26 0.720 -9.306 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.641 -10.393 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.563 -10.647 -4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.897 -8.465 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.730 -7.138 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.020 -7.384 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.060 -10.050 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.103 -8.787 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.167 -8.529 -2.756 1.00 0.00 H new ATOM 406 N TRP A 27 0.568 -9.165 -1.720 1.00 0.00 N ATOM 407 CA TRP A 27 -0.055 -10.061 -0.709 1.00 0.00 C ATOM 408 C TRP A 27 -0.333 -9.274 0.568 1.00 0.00 C ATOM 409 O TRP A 27 0.086 -8.144 0.720 1.00 0.00 O ATOM 410 CB TRP A 27 0.858 -11.243 -0.370 1.00 0.00 C ATOM 411 CG TRP A 27 2.289 -10.914 -0.671 1.00 0.00 C ATOM 412 CD1 TRP A 27 2.960 -9.833 -0.207 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.237 -11.666 -1.480 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.256 -9.871 -0.693 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.475 -10.983 -1.480 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.142 -12.865 -2.212 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.580 -11.471 -2.180 1.00 0.00 C ATOM 418 CZ3 TRP A 27 4.252 -13.359 -2.917 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.468 -12.662 -2.902 1.00 0.00 C ATOM 0 H TRP A 27 1.473 -8.773 -1.459 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.983 -10.447 -1.131 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.753 -11.499 0.684 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.554 -12.119 -0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.552 -9.067 0.436 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.963 -9.163 -0.494 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.209 -13.409 -2.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.515 -10.931 -2.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.168 -14.281 -3.474 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.317 -13.045 -3.448 1.00 0.00 H new ATOM 430 N THR A 28 -1.042 -9.866 1.485 1.00 0.00 N ATOM 431 CA THR A 28 -1.358 -9.163 2.754 1.00 0.00 C ATOM 432 C THR A 28 -1.722 -10.195 3.826 1.00 0.00 C ATOM 433 O THR A 28 -1.923 -11.357 3.536 1.00 0.00 O ATOM 434 CB THR A 28 -2.542 -8.229 2.513 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.150 -7.193 1.623 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.003 -7.620 3.837 1.00 0.00 C ATOM 0 H THR A 28 -1.418 -10.811 1.409 1.00 0.00 H new ATOM 0 HA THR A 28 -0.497 -8.586 3.091 1.00 0.00 H new ATOM 0 HB THR A 28 -3.365 -8.795 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.178 -7.217 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.848 -6.955 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.306 -8.416 4.518 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.184 -7.054 4.282 1.00 0.00 H new ATOM 444 N PHE A 29 -1.812 -9.784 5.062 1.00 0.00 N ATOM 445 CA PHE A 29 -2.168 -10.750 6.139 1.00 0.00 C ATOM 446 C PHE A 29 -3.404 -11.550 5.715 1.00 0.00 C ATOM 447 O PHE A 29 -3.413 -12.764 5.756 1.00 0.00 O ATOM 448 CB PHE A 29 -2.467 -9.989 7.433 1.00 0.00 C ATOM 449 CG PHE A 29 -1.235 -9.974 8.306 1.00 0.00 C ATOM 450 CD1 PHE A 29 -0.474 -11.138 8.463 1.00 0.00 C ATOM 451 CD2 PHE A 29 -0.853 -8.795 8.957 1.00 0.00 C ATOM 452 CE1 PHE A 29 0.671 -11.123 9.269 1.00 0.00 C ATOM 453 CE2 PHE A 29 0.291 -8.780 9.765 1.00 0.00 C ATOM 454 CZ PHE A 29 1.052 -9.944 9.920 1.00 0.00 C ATOM 0 H PHE A 29 -1.655 -8.825 5.371 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.334 -11.431 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.776 -8.969 7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.295 -10.461 7.962 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.770 -12.048 7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.440 -7.897 8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.260 -12.021 9.388 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.586 -7.871 10.268 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.934 -9.933 10.543 1.00 0.00 H new ATOM 464 N ASP A 30 -4.452 -10.880 5.312 1.00 0.00 N ATOM 465 CA ASP A 30 -5.684 -11.611 4.891 1.00 0.00 C ATOM 466 C ASP A 30 -6.180 -11.087 3.536 1.00 0.00 C ATOM 467 O ASP A 30 -7.028 -11.689 2.907 1.00 0.00 O ATOM 468 CB ASP A 30 -6.777 -11.413 5.943 1.00 0.00 C ATOM 469 CG ASP A 30 -7.754 -12.589 5.894 1.00 0.00 C ATOM 470 OD1 ASP A 30 -7.366 -13.637 5.401 1.00 0.00 O ATOM 471 OD2 ASP A 30 -8.872 -12.424 6.350 1.00 0.00 O ATOM 0 H ASP A 30 -4.508 -9.863 5.256 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.450 -12.671 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.332 -11.338 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.307 -10.478 5.760 1.00 0.00 H new ATOM 476 N ASN A 31 -5.667 -9.976 3.079 1.00 0.00 N ATOM 477 CA ASN A 31 -6.124 -9.432 1.766 1.00 0.00 C ATOM 478 C ASN A 31 -5.089 -9.761 0.687 1.00 0.00 C ATOM 479 O ASN A 31 -4.121 -10.452 0.934 1.00 0.00 O ATOM 480 CB ASN A 31 -6.286 -7.913 1.868 1.00 0.00 C ATOM 481 CG ASN A 31 -7.140 -7.572 3.088 1.00 0.00 C ATOM 482 OD1 ASN A 31 -8.352 -7.614 3.028 1.00 0.00 O ATOM 483 ND2 ASN A 31 -6.554 -7.231 4.203 1.00 0.00 N ATOM 0 H ASN A 31 -4.954 -9.423 3.555 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.081 -9.883 1.503 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.309 -7.437 1.950 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.754 -7.525 0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.114 -7.000 5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.536 -7.196 4.254 1.00 0.00 H new ATOM 490 N ILE A 32 -5.285 -9.271 -0.507 1.00 0.00 N ATOM 491 CA ILE A 32 -4.309 -9.559 -1.596 1.00 0.00 C ATOM 492 C ILE A 32 -3.411 -8.337 -1.809 1.00 0.00 C ATOM 493 O ILE A 32 -2.266 -8.323 -1.401 1.00 0.00 O ATOM 494 CB ILE A 32 -5.053 -9.886 -2.898 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.446 -10.435 -2.577 1.00 0.00 C ATOM 496 CG2 ILE A 32 -4.266 -10.939 -3.682 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.320 -11.629 -1.629 1.00 0.00 C ATOM 0 H ILE A 32 -6.076 -8.686 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.699 -10.417 -1.313 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.150 -8.978 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.058 -9.658 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.949 -10.738 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.793 -11.173 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.274 -10.552 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.170 -11.843 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.312 -12.019 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.724 -12.409 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.834 -11.311 -0.706 1.00 0.00 H new ATOM 509 N ILE A 33 -3.916 -7.308 -2.435 1.00 0.00 N ATOM 510 CA ILE A 33 -3.078 -6.095 -2.659 1.00 0.00 C ATOM 511 C ILE A 33 -3.440 -5.034 -1.629 1.00 0.00 C ATOM 512 O ILE A 33 -4.590 -4.884 -1.269 1.00 0.00 O ATOM 513 CB ILE A 33 -3.338 -5.523 -4.051 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.701 -6.656 -5.003 1.00 0.00 C ATOM 515 CG2 ILE A 33 -2.088 -4.803 -4.559 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.490 -7.566 -5.197 1.00 0.00 C ATOM 0 H ILE A 33 -4.867 -7.255 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.028 -6.374 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.162 -4.811 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.538 -7.228 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.022 -6.250 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.280 -4.397 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.834 -3.991 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.258 -5.507 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.749 -8.377 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.665 -6.990 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.190 -7.982 -4.235 1.00 0.00 H new ATOM 528 N ARG A 34 -2.488 -4.277 -1.157 1.00 0.00 N ATOM 529 CA ARG A 34 -2.854 -3.230 -0.169 1.00 0.00 C ATOM 530 C ARG A 34 -2.004 -1.974 -0.307 1.00 0.00 C ATOM 531 O ARG A 34 -0.824 -1.953 -0.023 1.00 0.00 O ATOM 532 CB ARG A 34 -2.758 -3.753 1.253 1.00 0.00 C ATOM 533 CG ARG A 34 -3.767 -2.974 2.096 1.00 0.00 C ATOM 534 CD ARG A 34 -4.374 -3.885 3.165 1.00 0.00 C ATOM 535 NE ARG A 34 -4.174 -3.273 4.509 1.00 0.00 N ATOM 536 CZ ARG A 34 -5.206 -2.927 5.231 1.00 0.00 C ATOM 537 NH1 ARG A 34 -6.159 -2.206 4.705 1.00 0.00 N ATOM 538 NH2 ARG A 34 -5.285 -3.300 6.479 1.00 0.00 N ATOM 0 H ARG A 34 -1.500 -4.336 -1.405 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.888 -2.962 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.975 -4.821 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.749 -3.621 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.277 -2.122 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.555 -2.575 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.437 -4.030 2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.906 -4.869 3.128 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.230 -3.124 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.098 -1.913 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.965 -1.936 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.540 -3.862 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.091 -3.029 7.042 1.00 0.00 H new ATOM 552 N ARG A 35 -2.642 -0.919 -0.715 1.00 0.00 N ATOM 553 CA ARG A 35 -1.969 0.395 -0.869 1.00 0.00 C ATOM 554 C ARG A 35 -1.946 1.095 0.489 1.00 0.00 C ATOM 555 O ARG A 35 -2.963 1.242 1.132 1.00 0.00 O ATOM 556 CB ARG A 35 -2.782 1.248 -1.841 1.00 0.00 C ATOM 557 CG ARG A 35 -3.224 0.400 -3.034 1.00 0.00 C ATOM 558 CD ARG A 35 -4.713 0.615 -3.286 1.00 0.00 C ATOM 559 NE ARG A 35 -5.240 -0.493 -4.133 1.00 0.00 N ATOM 560 CZ ARG A 35 -5.096 -0.455 -5.431 1.00 0.00 C ATOM 561 NH1 ARG A 35 -4.459 0.536 -5.995 1.00 0.00 N ATOM 562 NH2 ARG A 35 -5.585 -1.417 -6.165 1.00 0.00 N ATOM 0 H ARG A 35 -3.633 -0.913 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.954 0.258 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.654 1.661 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.184 2.092 -2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.651 0.673 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.026 -0.654 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.251 0.650 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.874 1.573 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.715 -1.284 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.071 1.285 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.349 0.561 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.077 -2.194 -5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.475 -1.391 -7.179 1.00 0.00 H new ATOM 576 N GLY A 36 -0.801 1.523 0.929 1.00 0.00 N ATOM 577 CA GLY A 36 -0.719 2.213 2.247 1.00 0.00 C ATOM 578 C GLY A 36 0.279 3.371 2.169 1.00 0.00 C ATOM 579 O GLY A 36 0.556 3.901 1.110 1.00 0.00 O ATOM 0 H GLY A 36 0.086 1.426 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.702 2.588 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.410 1.507 3.018 1.00 0.00 H new ATOM 583 N CYS A 37 0.813 3.765 3.290 1.00 0.00 N ATOM 584 CA CYS A 37 1.794 4.894 3.311 1.00 0.00 C ATOM 585 C CYS A 37 3.118 4.402 3.904 1.00 0.00 C ATOM 586 O CYS A 37 3.179 3.988 5.044 1.00 0.00 O ATOM 587 CB CYS A 37 1.245 6.044 4.171 1.00 0.00 C ATOM 588 SG CYS A 37 0.095 5.404 5.422 1.00 0.00 S ATOM 0 H CYS A 37 0.613 3.353 4.201 1.00 0.00 H new ATOM 0 HA CYS A 37 1.956 5.252 2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.068 6.568 4.658 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.736 6.770 3.537 1.00 0.00 H new ATOM 593 N GLY A 38 4.176 4.416 3.134 1.00 0.00 N ATOM 594 CA GLY A 38 5.475 3.921 3.655 1.00 0.00 C ATOM 595 C GLY A 38 5.478 2.417 3.460 1.00 0.00 C ATOM 596 O GLY A 38 4.439 1.815 3.402 1.00 0.00 O ATOM 0 H GLY A 38 4.192 4.749 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.307 4.382 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.592 4.175 4.709 1.00 0.00 H new ATOM 600 N CYS A 39 6.606 1.793 3.354 1.00 0.00 N ATOM 601 CA CYS A 39 6.582 0.319 3.151 1.00 0.00 C ATOM 602 C CYS A 39 5.908 -0.322 4.362 1.00 0.00 C ATOM 603 O CYS A 39 5.879 0.248 5.434 1.00 0.00 O ATOM 604 CB CYS A 39 8.009 -0.201 3.015 1.00 0.00 C ATOM 605 SG CYS A 39 8.923 0.820 1.838 1.00 0.00 S ATOM 0 H CYS A 39 7.530 2.223 3.397 1.00 0.00 H new ATOM 0 HA CYS A 39 6.031 0.071 2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.505 -0.186 3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.997 -1.238 2.679 1.00 0.00 H new ATOM 610 N PHE A 40 5.339 -1.487 4.205 1.00 0.00 N ATOM 611 CA PHE A 40 4.647 -2.119 5.368 1.00 0.00 C ATOM 612 C PHE A 40 5.655 -2.469 6.472 1.00 0.00 C ATOM 613 O PHE A 40 6.853 -2.382 6.294 1.00 0.00 O ATOM 614 CB PHE A 40 3.891 -3.375 4.918 1.00 0.00 C ATOM 615 CG PHE A 40 4.764 -4.263 4.063 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.136 -4.014 3.927 1.00 0.00 C ATOM 617 CD2 PHE A 40 4.184 -5.346 3.394 1.00 0.00 C ATOM 618 CE1 PHE A 40 6.921 -4.844 3.125 1.00 0.00 C ATOM 619 CE2 PHE A 40 4.971 -6.179 2.594 1.00 0.00 C ATOM 620 CZ PHE A 40 6.339 -5.931 2.460 1.00 0.00 C ATOM 0 H PHE A 40 5.322 -2.022 3.337 1.00 0.00 H new ATOM 0 HA PHE A 40 3.929 -1.405 5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.550 -3.930 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.002 -3.086 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.587 -3.179 4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.126 -5.539 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.978 -4.648 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.521 -7.015 2.079 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.948 -6.577 1.844 1.00 0.00 H new ATOM 630 N THR A 41 5.164 -2.820 7.631 1.00 0.00 N ATOM 631 CA THR A 41 6.075 -3.132 8.777 1.00 0.00 C ATOM 632 C THR A 41 6.753 -4.505 8.627 1.00 0.00 C ATOM 633 O THR A 41 7.937 -4.625 8.873 1.00 0.00 O ATOM 634 CB THR A 41 5.274 -3.102 10.084 1.00 0.00 C ATOM 635 OG1 THR A 41 4.323 -2.047 10.029 1.00 0.00 O ATOM 636 CG2 THR A 41 6.226 -2.872 11.259 1.00 0.00 C ATOM 0 H THR A 41 4.168 -2.905 7.836 1.00 0.00 H new ATOM 0 HA THR A 41 6.860 -2.376 8.789 1.00 0.00 H new ATOM 0 HB THR A 41 4.756 -4.052 10.218 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.808 -2.027 10.863 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.658 -2.850 12.189 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.957 -3.680 11.299 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.743 -1.921 11.128 1.00 0.00 H new ATOM 644 N PRO A 42 5.995 -5.505 8.261 1.00 0.00 N ATOM 645 CA PRO A 42 6.512 -6.873 8.114 1.00 0.00 C ATOM 646 C PRO A 42 7.199 -7.049 6.759 1.00 0.00 C ATOM 647 O PRO A 42 6.961 -8.005 6.048 1.00 0.00 O ATOM 648 CB PRO A 42 5.255 -7.741 8.218 1.00 0.00 C ATOM 649 CG PRO A 42 4.060 -6.827 7.853 1.00 0.00 C ATOM 650 CD PRO A 42 4.563 -5.374 7.953 1.00 0.00 C ATOM 0 HA PRO A 42 7.264 -7.131 8.860 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.314 -8.592 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.143 -8.143 9.225 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.701 -7.043 6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.224 -6.994 8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.405 -4.833 7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.037 -4.824 8.733 1.00 0.00 H new ATOM 658 N ARG A 43 8.053 -6.131 6.396 1.00 0.00 N ATOM 659 CA ARG A 43 8.758 -6.244 5.089 1.00 0.00 C ATOM 660 C ARG A 43 9.785 -7.373 5.151 1.00 0.00 C ATOM 661 O ARG A 43 9.677 -8.287 5.945 1.00 0.00 O ATOM 662 CB ARG A 43 9.479 -4.930 4.782 1.00 0.00 C ATOM 663 CG ARG A 43 10.695 -4.784 5.700 1.00 0.00 C ATOM 664 CD ARG A 43 10.723 -3.375 6.296 1.00 0.00 C ATOM 665 NE ARG A 43 11.502 -3.389 7.566 1.00 0.00 N ATOM 666 CZ ARG A 43 12.211 -2.348 7.910 1.00 0.00 C ATOM 667 NH1 ARG A 43 11.642 -1.179 8.014 1.00 0.00 N ATOM 668 NH2 ARG A 43 13.487 -2.477 8.149 1.00 0.00 N ATOM 0 H ARG A 43 8.293 -5.308 6.949 1.00 0.00 H new ATOM 0 HA ARG A 43 8.028 -6.457 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.794 -4.912 3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.800 -4.089 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.652 -5.526 6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.611 -4.971 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.173 -2.678 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.707 -3.028 6.484 1.00 0.00 H new ATOM 0 HE ARG A 43 11.481 -4.213 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.644 -1.079 7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.195 -0.365 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.931 -3.391 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.040 -1.663 8.418 1.00 0.00 H new ATOM 682 N GLY A 44 10.786 -7.312 4.317 1.00 0.00 N ATOM 683 CA GLY A 44 11.823 -8.368 4.321 1.00 0.00 C ATOM 684 C GLY A 44 12.281 -8.636 2.886 1.00 0.00 C ATOM 685 O GLY A 44 11.835 -7.998 1.953 1.00 0.00 O ATOM 0 H GLY A 44 10.926 -6.570 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.670 -8.059 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.426 -9.281 4.764 1.00 0.00 H new ATOM 689 N ASP A 45 13.167 -9.576 2.701 1.00 0.00 N ATOM 690 CA ASP A 45 13.650 -9.882 1.325 1.00 0.00 C ATOM 691 C ASP A 45 12.720 -10.909 0.675 1.00 0.00 C ATOM 692 O ASP A 45 12.847 -11.225 -0.492 1.00 0.00 O ATOM 693 CB ASP A 45 15.069 -10.451 1.396 1.00 0.00 C ATOM 694 CG ASP A 45 16.017 -9.554 0.600 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.647 -9.155 -0.491 1.00 0.00 O ATOM 696 OD2 ASP A 45 17.098 -9.281 1.096 1.00 0.00 O ATOM 0 H ASP A 45 13.577 -10.145 3.442 1.00 0.00 H new ATOM 0 HA ASP A 45 13.655 -8.968 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.396 -10.514 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.087 -11.464 0.995 1.00 0.00 H new ATOM 701 N MET A 46 11.785 -11.433 1.419 1.00 0.00 N ATOM 702 CA MET A 46 10.848 -12.438 0.842 1.00 0.00 C ATOM 703 C MET A 46 9.750 -11.727 0.041 1.00 0.00 C ATOM 704 O MET A 46 9.491 -12.077 -1.094 1.00 0.00 O ATOM 705 CB MET A 46 10.214 -13.258 1.969 1.00 0.00 C ATOM 706 CG MET A 46 10.735 -14.696 1.910 1.00 0.00 C ATOM 707 SD MET A 46 10.087 -15.512 0.429 1.00 0.00 S ATOM 708 CE MET A 46 10.421 -17.217 0.938 1.00 0.00 C ATOM 0 H MET A 46 11.629 -11.209 2.402 1.00 0.00 H new ATOM 0 HA MET A 46 11.401 -13.103 0.179 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.452 -12.813 2.935 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.128 -13.249 1.873 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.825 -14.699 1.892 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.429 -15.242 2.802 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.093 -17.901 0.156 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.491 -17.344 1.106 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.881 -17.434 1.860 1.00 0.00 H new ATOM 718 N PRO A 47 9.134 -10.753 0.659 1.00 0.00 N ATOM 719 CA PRO A 47 8.054 -9.974 0.038 1.00 0.00 C ATOM 720 C PRO A 47 8.616 -8.894 -0.879 1.00 0.00 C ATOM 721 O PRO A 47 9.688 -8.365 -0.666 1.00 0.00 O ATOM 722 CB PRO A 47 7.325 -9.352 1.228 1.00 0.00 C ATOM 723 CG PRO A 47 8.332 -9.343 2.403 1.00 0.00 C ATOM 724 CD PRO A 47 9.450 -10.339 2.038 1.00 0.00 C ATOM 0 HA PRO A 47 7.401 -10.584 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.993 -8.341 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.436 -9.929 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.739 -8.344 2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.844 -9.634 3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.433 -9.872 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.460 -11.192 2.717 1.00 0.00 H new ATOM 732 N GLY A 48 7.878 -8.562 -1.894 1.00 0.00 N ATOM 733 CA GLY A 48 8.322 -7.517 -2.840 1.00 0.00 C ATOM 734 C GLY A 48 7.125 -6.627 -3.168 1.00 0.00 C ATOM 735 O GLY A 48 6.575 -6.700 -4.248 1.00 0.00 O ATOM 0 H GLY A 48 6.972 -8.979 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.126 -6.926 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.718 -7.971 -3.749 1.00 0.00 H new ATOM 739 N PRO A 49 6.750 -5.817 -2.210 1.00 0.00 N ATOM 740 CA PRO A 49 5.605 -4.898 -2.348 1.00 0.00 C ATOM 741 C PRO A 49 5.889 -3.800 -3.363 1.00 0.00 C ATOM 742 O PRO A 49 6.791 -3.892 -4.172 1.00 0.00 O ATOM 743 CB PRO A 49 5.461 -4.292 -0.950 1.00 0.00 C ATOM 744 CG PRO A 49 6.836 -4.456 -0.280 1.00 0.00 C ATOM 745 CD PRO A 49 7.439 -5.727 -0.903 1.00 0.00 C ATOM 0 HA PRO A 49 4.708 -5.408 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.176 -3.241 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.685 -4.803 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.470 -3.588 -0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.738 -4.556 0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.519 -5.645 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.252 -6.606 -0.287 1.00 0.00 H new ATOM 753 N TYR A 50 5.118 -2.753 -3.310 1.00 0.00 N ATOM 754 CA TYR A 50 5.323 -1.625 -4.248 1.00 0.00 C ATOM 755 C TYR A 50 5.469 -0.333 -3.445 1.00 0.00 C ATOM 756 O TYR A 50 4.615 0.529 -3.477 1.00 0.00 O ATOM 757 CB TYR A 50 4.123 -1.513 -5.192 1.00 0.00 C ATOM 758 CG TYR A 50 4.607 -1.216 -6.590 1.00 0.00 C ATOM 759 CD1 TYR A 50 5.185 -2.232 -7.361 1.00 0.00 C ATOM 760 CD2 TYR A 50 4.479 0.075 -7.117 1.00 0.00 C ATOM 761 CE1 TYR A 50 5.634 -1.958 -8.657 1.00 0.00 C ATOM 762 CE2 TYR A 50 4.928 0.350 -8.414 1.00 0.00 C ATOM 763 CZ TYR A 50 5.506 -0.667 -9.184 1.00 0.00 C ATOM 764 OH TYR A 50 5.949 -0.397 -10.461 1.00 0.00 O ATOM 0 H TYR A 50 4.349 -2.632 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 50 6.223 -1.796 -4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.552 -2.442 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.453 -0.723 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.284 -3.228 -6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.034 0.859 -6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.079 -2.742 -9.251 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.829 1.346 -8.821 1.00 0.00 H new ATOM 0 HH TYR A 50 5.784 0.546 -10.672 1.00 0.00 H new ATOM 774 N CYS A 51 6.556 -0.184 -2.735 1.00 0.00 N ATOM 775 CA CYS A 51 6.760 1.064 -1.950 1.00 0.00 C ATOM 776 C CYS A 51 7.088 2.169 -2.936 1.00 0.00 C ATOM 777 O CYS A 51 8.013 2.069 -3.717 1.00 0.00 O ATOM 778 CB CYS A 51 7.941 0.904 -1.008 1.00 0.00 C ATOM 779 SG CYS A 51 7.498 1.556 0.616 1.00 0.00 S ATOM 0 H CYS A 51 7.307 -0.870 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 51 5.866 1.289 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.218 -0.147 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.809 1.433 -1.401 1.00 0.00 H new ATOM 784 N CYS A 52 6.340 3.218 -2.911 1.00 0.00 N ATOM 785 CA CYS A 52 6.611 4.334 -3.857 1.00 0.00 C ATOM 786 C CYS A 52 6.788 5.609 -3.069 1.00 0.00 C ATOM 787 O CYS A 52 6.378 5.701 -1.937 1.00 0.00 O ATOM 788 CB CYS A 52 5.445 4.495 -4.828 1.00 0.00 C ATOM 789 SG CYS A 52 5.770 5.858 -5.974 1.00 0.00 S ATOM 0 H CYS A 52 5.551 3.360 -2.280 1.00 0.00 H new ATOM 0 HA CYS A 52 7.515 4.116 -4.426 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.295 3.570 -5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.525 4.687 -4.275 1.00 0.00 H new ATOM 794 N GLU A 53 7.392 6.590 -3.660 1.00 0.00 N ATOM 795 CA GLU A 53 7.600 7.874 -2.939 1.00 0.00 C ATOM 796 C GLU A 53 6.857 8.994 -3.660 1.00 0.00 C ATOM 797 O GLU A 53 7.441 9.934 -4.162 1.00 0.00 O ATOM 798 CB GLU A 53 9.093 8.183 -2.852 1.00 0.00 C ATOM 799 CG GLU A 53 9.863 6.877 -2.656 1.00 0.00 C ATOM 800 CD GLU A 53 11.354 7.122 -2.892 1.00 0.00 C ATOM 801 OE1 GLU A 53 11.961 7.793 -2.073 1.00 0.00 O ATOM 802 OE2 GLU A 53 11.865 6.636 -3.888 1.00 0.00 O ATOM 0 H GLU A 53 7.753 6.563 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 53 7.206 7.792 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.427 8.684 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.289 8.863 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.702 6.495 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.495 6.118 -3.347 1.00 0.00 H new ATOM 809 N SER A 54 5.561 8.891 -3.694 1.00 0.00 N ATOM 810 CA SER A 54 4.724 9.925 -4.354 1.00 0.00 C ATOM 811 C SER A 54 3.307 9.792 -3.808 1.00 0.00 C ATOM 812 O SER A 54 2.897 8.728 -3.382 1.00 0.00 O ATOM 813 CB SER A 54 4.721 9.701 -5.866 1.00 0.00 C ATOM 814 OG SER A 54 5.544 8.585 -6.177 1.00 0.00 O ATOM 0 H SER A 54 5.037 8.118 -3.284 1.00 0.00 H new ATOM 0 HA SER A 54 5.118 10.921 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.704 9.527 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.087 10.591 -6.378 1.00 0.00 H new ATOM 0 HG SER A 54 4.984 7.791 -6.306 1.00 0.00 H new ATOM 820 N ASP A 55 2.546 10.845 -3.802 1.00 0.00 N ATOM 821 CA ASP A 55 1.170 10.727 -3.259 1.00 0.00 C ATOM 822 C ASP A 55 0.335 9.862 -4.198 1.00 0.00 C ATOM 823 O ASP A 55 0.599 9.787 -5.381 1.00 0.00 O ATOM 824 CB ASP A 55 0.538 12.110 -3.132 1.00 0.00 C ATOM 825 CG ASP A 55 1.601 13.123 -2.713 1.00 0.00 C ATOM 826 OD1 ASP A 55 2.351 13.556 -3.573 1.00 0.00 O ATOM 827 OD2 ASP A 55 1.648 13.448 -1.536 1.00 0.00 O ATOM 0 H ASP A 55 2.811 11.769 -4.144 1.00 0.00 H new ATOM 0 HA ASP A 55 1.208 10.267 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.093 12.406 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.267 12.087 -2.397 1.00 0.00 H new ATOM 832 N LYS A 56 -0.666 9.207 -3.674 1.00 0.00 N ATOM 833 CA LYS A 56 -1.523 8.327 -4.528 1.00 0.00 C ATOM 834 C LYS A 56 -0.645 7.592 -5.544 1.00 0.00 C ATOM 835 O LYS A 56 -1.037 7.371 -6.672 1.00 0.00 O ATOM 836 CB LYS A 56 -2.558 9.175 -5.276 1.00 0.00 C ATOM 837 CG LYS A 56 -1.870 10.367 -5.939 1.00 0.00 C ATOM 838 CD LYS A 56 -2.907 11.188 -6.710 1.00 0.00 C ATOM 839 CE LYS A 56 -2.203 12.035 -7.770 1.00 0.00 C ATOM 840 NZ LYS A 56 -1.688 13.285 -7.142 1.00 0.00 N ATOM 0 H LYS A 56 -0.930 9.242 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.037 7.605 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.062 8.569 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.324 9.525 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.386 10.988 -5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.089 10.020 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.633 10.526 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.460 11.830 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.382 11.473 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.895 12.278 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.209 13.863 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.481 13.823 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.014 13.042 -6.388 1.00 0.00 H new ATOM 854 N CYS A 57 0.547 7.227 -5.160 1.00 0.00 N ATOM 855 CA CYS A 57 1.451 6.525 -6.113 1.00 0.00 C ATOM 856 C CYS A 57 1.141 5.027 -6.144 1.00 0.00 C ATOM 857 O CYS A 57 1.594 4.313 -7.018 1.00 0.00 O ATOM 858 CB CYS A 57 2.898 6.731 -5.667 1.00 0.00 C ATOM 859 SG CYS A 57 4.019 6.113 -6.946 1.00 0.00 S ATOM 0 H CYS A 57 0.933 7.384 -4.229 1.00 0.00 H new ATOM 0 HA CYS A 57 1.300 6.934 -7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.086 7.789 -5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.078 6.208 -4.728 1.00 0.00 H new ATOM 864 N ASN A 58 0.384 4.533 -5.205 1.00 0.00 N ATOM 865 CA ASN A 58 0.080 3.080 -5.206 1.00 0.00 C ATOM 866 C ASN A 58 -1.299 2.818 -5.815 1.00 0.00 C ATOM 867 O ASN A 58 -2.169 2.258 -5.182 1.00 0.00 O ATOM 868 CB ASN A 58 0.129 2.517 -3.779 1.00 0.00 C ATOM 869 CG ASN A 58 -0.411 3.538 -2.773 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.833 4.616 -3.138 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.413 3.233 -1.504 1.00 0.00 N ATOM 0 H ASN A 58 -0.033 5.069 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 58 0.835 2.579 -5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.458 1.600 -3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.155 2.254 -3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.769 3.900 -0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.059 2.327 -1.197 1.00 0.00 H new ATOM 878 N LEU A 59 -1.501 3.200 -7.045 1.00 0.00 N ATOM 879 CA LEU A 59 -2.820 2.945 -7.693 1.00 0.00 C ATOM 880 C LEU A 59 -2.618 2.032 -8.903 1.00 0.00 C ATOM 881 O LEU A 59 -1.875 2.415 -9.792 1.00 0.00 O ATOM 882 CB LEU A 59 -3.443 4.264 -8.152 1.00 0.00 C ATOM 883 CG LEU A 59 -4.954 4.229 -7.913 1.00 0.00 C ATOM 884 CD1 LEU A 59 -5.589 3.164 -8.810 1.00 0.00 C ATOM 885 CD2 LEU A 59 -5.231 3.888 -6.447 1.00 0.00 C ATOM 886 OXT LEU A 59 -3.211 0.966 -8.921 1.00 0.00 O ATOM 0 H LEU A 59 -0.813 3.676 -7.629 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.486 2.468 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.998 5.097 -7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.236 4.427 -9.210 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.380 5.204 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.665 3.139 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.393 3.404 -9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.162 2.189 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.307 3.863 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.804 2.913 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.779 4.645 -5.806 1.00 0.00 H new TER 898 LEU A 59