USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 657 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 13 LYS NZ :NH3+ -109:sc= -2.5 (180deg=-0.15) USER MOD Set 1.2: A 17 LYS NZ :NH3+ -176:sc= -1.72 (180deg=-0.207) USER MOD Set 2.1: A 1 SER OG : rot 12:sc= 0.593 USER MOD Set 2.2: A 4 TYR OH : rot 80:sc= 1.1 USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.113 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -86:sc= -4.1! USER MOD Single : A 21 ASN :FLIP amide:sc= -4.87! C(o=-7.5!,f=-4.9!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.52! C(o=-11!,f=-4.5!) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= -3.15! (180deg=-3.23!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00425 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -128:sc= -1.36 (180deg=-4.93!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -0.221 (180deg=-1.08) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -53:sc= 0.112 USER MOD Single : A 48 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.9!) USER MOD Single : A 53 THR OG1 : rot 83:sc= 0.00474 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -42:sc= 0.298 USER MOD Single : A 67 SER OG : rot 180:sc= -0.24 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -159:sc= -1.71 (180deg=-3.34!) USER MOD Single : A 76 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.22) USER MOD Single : A 79 SER OG : rot 49:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.925 8.324 9.026 1.00 0.00 N ATOM 2 CA SER A 1 20.918 6.973 9.652 1.00 0.00 C ATOM 3 C SER A 1 20.230 5.979 8.714 1.00 0.00 C ATOM 4 O SER A 1 19.695 6.347 7.688 1.00 0.00 O ATOM 5 CB SER A 1 20.157 7.030 10.977 1.00 0.00 C ATOM 6 OG SER A 1 18.829 7.477 10.738 1.00 0.00 O ATOM 0 H1 SER A 1 21.907 8.646 8.907 1.00 0.00 H new ATOM 0 H2 SER A 1 20.460 8.278 8.097 1.00 0.00 H new ATOM 0 H3 SER A 1 20.413 8.992 9.637 1.00 0.00 H new ATOM 0 HA SER A 1 21.944 6.652 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 1 20.143 6.045 11.444 1.00 0.00 H new ATOM 0 HB3 SER A 1 20.661 7.704 11.670 1.00 0.00 H new ATOM 0 HG SER A 1 18.645 7.457 9.776 1.00 0.00 H new ATOM 14 N ASP A 2 20.238 4.721 9.061 1.00 0.00 N ATOM 15 CA ASP A 2 19.584 3.700 8.193 1.00 0.00 C ATOM 16 C ASP A 2 19.254 2.466 9.025 1.00 0.00 C ATOM 17 O ASP A 2 19.394 1.345 8.578 1.00 0.00 O ATOM 18 CB ASP A 2 20.535 3.301 7.069 1.00 0.00 C ATOM 19 CG ASP A 2 20.820 4.513 6.181 1.00 0.00 C ATOM 20 OD1 ASP A 2 19.871 5.098 5.686 1.00 0.00 O ATOM 21 OD2 ASP A 2 21.985 4.837 6.012 1.00 0.00 O ATOM 0 H ASP A 2 20.670 4.355 9.910 1.00 0.00 H new ATOM 0 HA ASP A 2 18.670 4.118 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.466 2.917 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.096 2.499 6.476 1.00 0.00 H new ATOM 26 N VAL A 3 18.816 2.664 10.233 1.00 0.00 N ATOM 27 CA VAL A 3 18.476 1.506 11.105 1.00 0.00 C ATOM 28 C VAL A 3 17.059 1.045 10.797 1.00 0.00 C ATOM 29 O VAL A 3 16.662 -0.055 11.129 1.00 0.00 O ATOM 30 CB VAL A 3 18.584 1.938 12.569 1.00 0.00 C ATOM 31 CG1 VAL A 3 17.407 2.830 12.963 1.00 0.00 C ATOM 32 CG2 VAL A 3 18.623 0.703 13.468 1.00 0.00 C ATOM 0 H VAL A 3 18.678 3.581 10.658 1.00 0.00 H new ATOM 0 HA VAL A 3 19.165 0.681 10.921 1.00 0.00 H new ATOM 0 HB VAL A 3 19.504 2.510 12.694 1.00 0.00 H new ATOM 0 HG11 VAL A 3 17.507 3.124 14.008 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.399 3.721 12.335 1.00 0.00 H new ATOM 0 HG13 VAL A 3 16.474 2.283 12.828 1.00 0.00 H new ATOM 0 HG21 VAL A 3 18.700 1.014 14.510 1.00 0.00 H new ATOM 0 HG22 VAL A 3 17.711 0.123 13.329 1.00 0.00 H new ATOM 0 HG23 VAL A 3 19.486 0.090 13.207 1.00 0.00 H new ATOM 42 N TYR A 4 16.294 1.883 10.168 1.00 0.00 N ATOM 43 CA TYR A 4 14.899 1.495 9.843 1.00 0.00 C ATOM 44 C TYR A 4 14.933 0.232 8.988 1.00 0.00 C ATOM 45 O TYR A 4 14.127 -0.657 9.151 1.00 0.00 O ATOM 46 CB TYR A 4 14.197 2.632 9.083 1.00 0.00 C ATOM 47 CG TYR A 4 14.699 3.981 9.556 1.00 0.00 C ATOM 48 CD1 TYR A 4 15.116 4.179 10.886 1.00 0.00 C ATOM 49 CD2 TYR A 4 14.740 5.047 8.649 1.00 0.00 C ATOM 50 CE1 TYR A 4 15.570 5.440 11.293 1.00 0.00 C ATOM 51 CE2 TYR A 4 15.191 6.303 9.059 1.00 0.00 C ATOM 52 CZ TYR A 4 15.606 6.501 10.380 1.00 0.00 C ATOM 53 OH TYR A 4 16.052 7.744 10.784 1.00 0.00 O ATOM 0 H TYR A 4 16.571 2.817 9.865 1.00 0.00 H new ATOM 0 HA TYR A 4 14.343 1.305 10.761 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.376 2.526 8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 4 13.119 2.566 9.234 1.00 0.00 H new ATOM 0 HD1 TYR A 4 15.086 3.361 11.590 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.421 4.897 7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 4 15.893 5.594 12.312 1.00 0.00 H new ATOM 0 HE2 TYR A 4 15.219 7.122 8.356 1.00 0.00 H new ATOM 0 HH TYR A 4 17.032 7.750 10.801 1.00 0.00 H new ATOM 63 N CYS A 5 15.871 0.145 8.080 1.00 0.00 N ATOM 64 CA CYS A 5 15.972 -1.064 7.212 1.00 0.00 C ATOM 65 C CYS A 5 15.767 -2.325 8.058 1.00 0.00 C ATOM 66 O CYS A 5 15.106 -3.260 7.648 1.00 0.00 O ATOM 67 CB CYS A 5 17.356 -1.104 6.560 1.00 0.00 C ATOM 68 SG CYS A 5 17.739 0.518 5.855 1.00 0.00 S ATOM 0 H CYS A 5 16.574 0.863 7.903 1.00 0.00 H new ATOM 0 HA CYS A 5 15.205 -1.022 6.439 1.00 0.00 H new ATOM 0 HB2 CYS A 5 18.110 -1.378 7.298 1.00 0.00 H new ATOM 0 HB3 CYS A 5 17.381 -1.866 5.781 1.00 0.00 H new ATOM 73 N GLU A 6 16.317 -2.351 9.242 1.00 0.00 N ATOM 74 CA GLU A 6 16.145 -3.546 10.115 1.00 0.00 C ATOM 75 C GLU A 6 14.756 -3.514 10.760 1.00 0.00 C ATOM 76 O GLU A 6 14.042 -4.499 10.772 1.00 0.00 O ATOM 77 CB GLU A 6 17.217 -3.536 11.207 1.00 0.00 C ATOM 78 CG GLU A 6 18.586 -3.811 10.582 1.00 0.00 C ATOM 79 CD GLU A 6 19.679 -3.593 11.629 1.00 0.00 C ATOM 80 OE1 GLU A 6 19.586 -4.193 12.688 1.00 0.00 O ATOM 81 OE2 GLU A 6 20.591 -2.830 11.355 1.00 0.00 O ATOM 0 H GLU A 6 16.877 -1.598 9.641 1.00 0.00 H new ATOM 0 HA GLU A 6 16.244 -4.451 9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.225 -2.572 11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.991 -4.291 11.960 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.627 -4.833 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.747 -3.151 9.730 1.00 0.00 H new ATOM 88 N VAL A 7 14.367 -2.391 11.299 1.00 0.00 N ATOM 89 CA VAL A 7 13.028 -2.295 11.948 1.00 0.00 C ATOM 90 C VAL A 7 11.930 -2.360 10.881 1.00 0.00 C ATOM 91 O VAL A 7 11.145 -3.286 10.836 1.00 0.00 O ATOM 92 CB VAL A 7 12.927 -0.964 12.702 1.00 0.00 C ATOM 93 CG1 VAL A 7 11.762 -1.021 13.693 1.00 0.00 C ATOM 94 CG2 VAL A 7 14.230 -0.710 13.464 1.00 0.00 C ATOM 0 H VAL A 7 14.920 -1.534 11.318 1.00 0.00 H new ATOM 0 HA VAL A 7 12.902 -3.124 12.644 1.00 0.00 H new ATOM 0 HB VAL A 7 12.757 -0.157 11.989 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.692 -0.074 14.228 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.833 -1.202 13.152 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.930 -1.828 14.406 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.159 0.236 14.000 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.399 -1.519 14.175 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.061 -0.667 12.760 1.00 0.00 H new ATOM 104 N CYS A 8 11.873 -1.377 10.025 1.00 0.00 N ATOM 105 CA CYS A 8 10.834 -1.356 8.957 1.00 0.00 C ATOM 106 C CYS A 8 10.715 -2.745 8.309 1.00 0.00 C ATOM 107 O CYS A 8 9.636 -3.182 7.971 1.00 0.00 O ATOM 108 CB CYS A 8 11.219 -0.297 7.906 1.00 0.00 C ATOM 109 SG CYS A 8 10.434 -0.652 6.315 1.00 0.00 S ATOM 0 H CYS A 8 12.509 -0.579 10.020 1.00 0.00 H new ATOM 0 HA CYS A 8 9.866 -1.100 9.388 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.917 0.692 8.252 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.302 -0.276 7.785 1.00 0.00 H new ATOM 114 N GLU A 9 11.801 -3.449 8.134 1.00 0.00 N ATOM 115 CA GLU A 9 11.685 -4.812 7.498 1.00 0.00 C ATOM 116 C GLU A 9 10.847 -5.719 8.402 1.00 0.00 C ATOM 117 O GLU A 9 10.052 -6.513 7.937 1.00 0.00 O ATOM 118 CB GLU A 9 13.067 -5.472 7.262 1.00 0.00 C ATOM 119 CG GLU A 9 12.876 -6.823 6.553 1.00 0.00 C ATOM 120 CD GLU A 9 12.497 -7.903 7.571 1.00 0.00 C ATOM 121 OE1 GLU A 9 13.309 -8.183 8.438 1.00 0.00 O ATOM 122 OE2 GLU A 9 11.403 -8.432 7.466 1.00 0.00 O ATOM 0 H GLU A 9 12.744 -3.158 8.393 1.00 0.00 H new ATOM 0 HA GLU A 9 11.209 -4.682 6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.696 -4.818 6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.579 -5.618 8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.098 -6.738 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.794 -7.105 6.037 1.00 0.00 H new ATOM 129 N PHE A 10 11.025 -5.616 9.689 1.00 0.00 N ATOM 130 CA PHE A 10 10.250 -6.482 10.625 1.00 0.00 C ATOM 131 C PHE A 10 8.783 -6.042 10.672 1.00 0.00 C ATOM 132 O PHE A 10 7.908 -6.818 11.004 1.00 0.00 O ATOM 133 CB PHE A 10 10.866 -6.376 12.025 1.00 0.00 C ATOM 134 CG PHE A 10 10.004 -7.117 13.021 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.119 -8.506 13.152 1.00 0.00 C ATOM 136 CD2 PHE A 10 9.090 -6.412 13.815 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.320 -9.190 14.076 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.291 -7.096 14.739 1.00 0.00 C ATOM 139 CZ PHE A 10 8.406 -8.485 14.869 1.00 0.00 C ATOM 0 H PHE A 10 11.675 -4.969 10.136 1.00 0.00 H new ATOM 0 HA PHE A 10 10.290 -7.514 10.276 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.873 -6.792 12.022 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.955 -5.329 12.315 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.824 -9.050 12.540 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.002 -5.340 13.714 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.409 -10.262 14.177 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.586 -6.552 15.351 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.790 -9.013 15.581 1.00 0.00 H new ATOM 149 N LEU A 11 8.504 -4.807 10.364 1.00 0.00 N ATOM 150 CA LEU A 11 7.089 -4.333 10.417 1.00 0.00 C ATOM 151 C LEU A 11 6.331 -4.750 9.157 1.00 0.00 C ATOM 152 O LEU A 11 5.219 -5.234 9.230 1.00 0.00 O ATOM 153 CB LEU A 11 7.064 -2.808 10.531 1.00 0.00 C ATOM 154 CG LEU A 11 7.635 -2.371 11.887 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.735 -0.843 11.915 1.00 0.00 C ATOM 156 CD2 LEU A 11 6.722 -2.858 13.036 1.00 0.00 C ATOM 0 H LEU A 11 9.189 -4.107 10.079 1.00 0.00 H new ATOM 0 HA LEU A 11 6.608 -4.783 11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.646 -2.366 9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.042 -2.444 10.424 1.00 0.00 H new ATOM 0 HG LEU A 11 8.624 -2.810 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.140 -0.522 12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.392 -0.507 11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.744 -0.411 11.777 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.139 -2.541 13.992 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.726 -2.431 12.915 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.656 -3.946 13.012 1.00 0.00 H new ATOM 168 N VAL A 12 6.899 -4.551 8.002 1.00 0.00 N ATOM 169 CA VAL A 12 6.169 -4.923 6.760 1.00 0.00 C ATOM 170 C VAL A 12 5.940 -6.435 6.713 1.00 0.00 C ATOM 171 O VAL A 12 5.001 -6.888 6.099 1.00 0.00 O ATOM 172 CB VAL A 12 6.950 -4.489 5.517 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.055 -4.638 4.284 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.374 -3.019 5.645 1.00 0.00 C ATOM 0 H VAL A 12 7.827 -4.151 7.864 1.00 0.00 H new ATOM 0 HA VAL A 12 5.208 -4.409 6.769 1.00 0.00 H new ATOM 0 HB VAL A 12 7.838 -5.114 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.606 -4.330 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.750 -5.679 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.171 -4.011 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.929 -2.722 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.488 -2.392 5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.007 -2.898 6.524 1.00 0.00 H new ATOM 184 N LYS A 13 6.779 -7.226 7.346 1.00 0.00 N ATOM 185 CA LYS A 13 6.566 -8.709 7.308 1.00 0.00 C ATOM 186 C LYS A 13 5.482 -9.101 8.327 1.00 0.00 C ATOM 187 O LYS A 13 4.727 -10.031 8.117 1.00 0.00 O ATOM 188 CB LYS A 13 7.903 -9.447 7.563 1.00 0.00 C ATOM 189 CG LYS A 13 8.298 -9.499 9.066 1.00 0.00 C ATOM 190 CD LYS A 13 8.324 -10.944 9.610 1.00 0.00 C ATOM 191 CE LYS A 13 6.909 -11.397 9.951 1.00 0.00 C ATOM 192 NZ LYS A 13 6.960 -12.735 10.605 1.00 0.00 N ATOM 0 H LYS A 13 7.590 -6.913 7.879 1.00 0.00 H new ATOM 0 HA LYS A 13 6.217 -9.008 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.828 -10.464 7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.696 -8.952 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.280 -9.045 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.591 -8.906 9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.760 -11.613 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.955 -10.996 10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.434 -10.674 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.303 -11.445 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.585 -13.454 9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.945 -12.966 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.386 -12.720 11.472 1.00 0.00 H new ATOM 206 N GLU A 14 5.387 -8.385 9.418 1.00 0.00 N ATOM 207 CA GLU A 14 4.345 -8.703 10.440 1.00 0.00 C ATOM 208 C GLU A 14 2.983 -8.271 9.906 1.00 0.00 C ATOM 209 O GLU A 14 2.094 -9.074 9.722 1.00 0.00 O ATOM 210 CB GLU A 14 4.652 -7.951 11.738 1.00 0.00 C ATOM 211 CG GLU A 14 3.750 -8.476 12.857 1.00 0.00 C ATOM 212 CD GLU A 14 4.201 -9.880 13.261 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.360 -10.031 13.612 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.381 -10.782 13.210 1.00 0.00 O ATOM 0 H GLU A 14 5.987 -7.592 9.645 1.00 0.00 H new ATOM 0 HA GLU A 14 4.339 -9.774 10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.700 -8.083 12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.491 -6.882 11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.793 -7.807 13.717 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.713 -8.498 12.522 1.00 0.00 H new ATOM 221 N VAL A 15 2.817 -7.006 9.631 1.00 0.00 N ATOM 222 CA VAL A 15 1.518 -6.521 9.078 1.00 0.00 C ATOM 223 C VAL A 15 1.063 -7.499 8.002 1.00 0.00 C ATOM 224 O VAL A 15 -0.098 -7.819 7.897 1.00 0.00 O ATOM 225 CB VAL A 15 1.701 -5.109 8.500 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.509 -5.174 7.201 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.326 -4.483 8.233 1.00 0.00 C ATOM 0 H VAL A 15 3.526 -6.285 9.765 1.00 0.00 H new ATOM 0 HA VAL A 15 0.760 -6.468 9.859 1.00 0.00 H new ATOM 0 HB VAL A 15 2.243 -4.494 9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.633 -4.168 6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.488 -5.608 7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.981 -5.792 6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.456 -3.481 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.222 -5.099 7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.234 -4.423 9.166 1.00 0.00 H new ATOM 237 N THR A 16 1.988 -8.017 7.241 1.00 0.00 N ATOM 238 CA THR A 16 1.625 -9.017 6.210 1.00 0.00 C ATOM 239 C THR A 16 0.907 -10.186 6.892 1.00 0.00 C ATOM 240 O THR A 16 -0.095 -10.675 6.416 1.00 0.00 O ATOM 241 CB THR A 16 2.914 -9.498 5.524 1.00 0.00 C ATOM 242 OG1 THR A 16 4.001 -8.872 6.152 1.00 0.00 O ATOM 243 CG2 THR A 16 2.881 -9.113 4.043 1.00 0.00 C ATOM 0 H THR A 16 2.980 -7.787 7.293 1.00 0.00 H new ATOM 0 HA THR A 16 0.962 -8.585 5.461 1.00 0.00 H new ATOM 0 HB THR A 16 3.005 -10.581 5.603 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.160 -7.999 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.795 -9.455 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.020 -9.580 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.804 -8.030 3.950 1.00 0.00 H new ATOM 251 N LYS A 17 1.418 -10.635 8.005 1.00 0.00 N ATOM 252 CA LYS A 17 0.765 -11.771 8.717 1.00 0.00 C ATOM 253 C LYS A 17 -0.732 -11.486 8.857 1.00 0.00 C ATOM 254 O LYS A 17 -1.557 -12.359 8.677 1.00 0.00 O ATOM 255 CB LYS A 17 1.389 -11.940 10.111 1.00 0.00 C ATOM 256 CG LYS A 17 2.840 -12.447 9.984 1.00 0.00 C ATOM 257 CD LYS A 17 2.861 -13.975 9.842 1.00 0.00 C ATOM 258 CE LYS A 17 4.309 -14.469 9.889 1.00 0.00 C ATOM 259 NZ LYS A 17 4.812 -14.399 11.290 1.00 0.00 N ATOM 0 H LYS A 17 2.257 -10.266 8.452 1.00 0.00 H new ATOM 0 HA LYS A 17 0.912 -12.688 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.373 -10.989 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.800 -12.644 10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.318 -11.988 9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.415 -12.149 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.282 -14.434 10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.394 -14.271 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.367 -15.493 9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.934 -13.860 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.816 -14.670 11.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.707 -13.428 11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.264 -15.050 11.888 1.00 0.00 H new ATOM 273 N LEU A 18 -1.092 -10.269 9.175 1.00 0.00 N ATOM 274 CA LEU A 18 -2.542 -9.931 9.324 1.00 0.00 C ATOM 275 C LEU A 18 -3.118 -9.555 7.949 1.00 0.00 C ATOM 276 O LEU A 18 -4.214 -9.939 7.598 1.00 0.00 O ATOM 277 CB LEU A 18 -2.675 -8.792 10.376 1.00 0.00 C ATOM 278 CG LEU A 18 -3.036 -7.437 9.739 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.510 -7.446 9.256 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.823 -6.334 10.785 1.00 0.00 C ATOM 0 H LEU A 18 -0.447 -9.496 9.338 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.119 -10.782 9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.440 -9.062 11.104 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.736 -8.694 10.921 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.399 -7.253 8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.752 -6.482 8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.646 -8.235 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.170 -7.627 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.074 -5.367 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.463 -6.522 11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.780 -6.329 11.102 1.00 0.00 H new ATOM 292 N ILE A 19 -2.381 -8.823 7.170 1.00 0.00 N ATOM 293 CA ILE A 19 -2.859 -8.427 5.820 1.00 0.00 C ATOM 294 C ILE A 19 -2.873 -9.680 4.933 1.00 0.00 C ATOM 295 O ILE A 19 -3.420 -9.681 3.848 1.00 0.00 O ATOM 296 CB ILE A 19 -1.861 -7.377 5.282 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.339 -5.951 5.591 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.636 -7.514 3.777 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.191 -4.953 5.343 1.00 0.00 C ATOM 0 H ILE A 19 -1.453 -8.476 7.414 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.864 -8.004 5.838 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.915 -7.563 5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.194 -5.700 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.673 -5.886 6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.928 -6.755 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.237 -8.504 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.583 -7.380 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.534 -3.942 5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.349 -5.199 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.878 -5.011 4.301 1.00 0.00 H new ATOM 311 N ASP A 20 -2.247 -10.733 5.386 1.00 0.00 N ATOM 312 CA ASP A 20 -2.177 -11.989 4.584 1.00 0.00 C ATOM 313 C ASP A 20 -3.526 -12.271 3.909 1.00 0.00 C ATOM 314 O ASP A 20 -3.588 -12.554 2.729 1.00 0.00 O ATOM 315 CB ASP A 20 -1.818 -13.158 5.504 1.00 0.00 C ATOM 316 CG ASP A 20 -1.595 -14.417 4.666 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.935 -14.317 3.645 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.086 -15.463 5.060 1.00 0.00 O ATOM 0 H ASP A 20 -1.775 -10.777 6.289 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.415 -11.872 3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.919 -12.923 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.618 -13.326 6.226 1.00 0.00 H new ATOM 323 N ASN A 21 -4.609 -12.196 4.643 1.00 0.00 N ATOM 324 CA ASN A 21 -5.943 -12.461 4.027 1.00 0.00 C ATOM 325 C ASN A 21 -7.043 -11.774 4.830 1.00 0.00 C ATOM 326 O ASN A 21 -8.193 -12.165 4.787 1.00 0.00 O ATOM 327 CB ASN A 21 -6.208 -13.965 3.994 1.00 0.00 C ATOM 328 CG ASN A 21 -5.213 -14.643 3.051 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.031 -14.974 3.496 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 -5.512 -14.873 1.896 1.00 0.00 N flip ATOM 0 H ASN A 21 -4.626 -11.964 5.636 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.942 -12.066 3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.116 -14.382 4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.228 -14.157 3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.435 -14.615 1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.840 -15.324 1.275 1.00 0.00 H new ATOM 337 N ASN A 22 -6.702 -10.746 5.553 1.00 0.00 N ATOM 338 CA ASN A 22 -7.719 -10.011 6.356 1.00 0.00 C ATOM 339 C ASN A 22 -8.101 -8.751 5.590 1.00 0.00 C ATOM 340 O ASN A 22 -9.259 -8.483 5.333 1.00 0.00 O ATOM 341 CB ASN A 22 -7.112 -9.638 7.708 1.00 0.00 C ATOM 342 CG ASN A 22 -6.532 -10.894 8.370 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.825 -11.738 7.659 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -6.726 -11.112 9.549 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.753 -10.379 5.623 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.603 -10.627 6.524 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.330 -8.890 7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.872 -9.193 8.350 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.276 -10.457 10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.339 -11.950 9.983 1.00 0.00 H new ATOM 351 N LYS A 23 -7.122 -7.989 5.202 1.00 0.00 N ATOM 352 CA LYS A 23 -7.378 -6.760 4.431 1.00 0.00 C ATOM 353 C LYS A 23 -7.823 -7.167 3.015 1.00 0.00 C ATOM 354 O LYS A 23 -7.015 -7.363 2.130 1.00 0.00 O ATOM 355 CB LYS A 23 -6.063 -5.949 4.388 1.00 0.00 C ATOM 356 CG LYS A 23 -6.331 -4.451 4.601 1.00 0.00 C ATOM 357 CD LYS A 23 -7.167 -3.876 3.442 1.00 0.00 C ATOM 358 CE LYS A 23 -6.262 -3.399 2.285 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.006 -4.200 2.227 1.00 0.00 N ATOM 0 H LYS A 23 -6.138 -8.175 5.394 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.160 -6.150 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.382 -6.313 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.570 -6.101 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.857 -4.301 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.385 -3.914 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.859 -4.635 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.770 -3.043 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.797 -3.486 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.020 -2.345 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.356 -3.777 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.555 -4.207 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.229 -5.175 1.943 1.00 0.00 H new ATOM 373 N THR A 24 -9.103 -7.304 2.799 1.00 0.00 N ATOM 374 CA THR A 24 -9.597 -7.705 1.448 1.00 0.00 C ATOM 375 C THR A 24 -9.842 -6.462 0.592 1.00 0.00 C ATOM 376 O THR A 24 -9.568 -5.350 0.999 1.00 0.00 O ATOM 377 CB THR A 24 -10.894 -8.497 1.603 1.00 0.00 C ATOM 378 OG1 THR A 24 -11.815 -7.750 2.387 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.583 -9.823 2.295 1.00 0.00 C ATOM 0 H THR A 24 -9.830 -7.156 3.499 1.00 0.00 H new ATOM 0 HA THR A 24 -8.849 -8.326 0.956 1.00 0.00 H new ATOM 0 HB THR A 24 -11.333 -8.688 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.648 -8.257 2.485 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.502 -10.397 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.874 -10.391 1.692 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.150 -9.629 3.276 1.00 0.00 H new ATOM 387 N GLU A 25 -10.340 -6.648 -0.605 1.00 0.00 N ATOM 388 CA GLU A 25 -10.591 -5.488 -1.521 1.00 0.00 C ATOM 389 C GLU A 25 -12.081 -5.132 -1.544 1.00 0.00 C ATOM 390 O GLU A 25 -12.531 -4.388 -2.393 1.00 0.00 O ATOM 391 CB GLU A 25 -10.141 -5.859 -2.937 1.00 0.00 C ATOM 392 CG GLU A 25 -8.810 -6.612 -2.869 1.00 0.00 C ATOM 393 CD GLU A 25 -8.313 -6.898 -4.286 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.075 -6.686 -5.215 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.178 -7.326 -4.419 1.00 0.00 O ATOM 0 H GLU A 25 -10.586 -7.559 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.029 -4.627 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.897 -6.478 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.032 -4.959 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.073 -6.021 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.936 -7.546 -2.321 1.00 0.00 H new ATOM 402 N LYS A 26 -12.852 -5.645 -0.627 1.00 0.00 N ATOM 403 CA LYS A 26 -14.305 -5.320 -0.614 1.00 0.00 C ATOM 404 C LYS A 26 -14.494 -4.030 0.175 1.00 0.00 C ATOM 405 O LYS A 26 -15.173 -3.114 -0.252 1.00 0.00 O ATOM 406 CB LYS A 26 -15.080 -6.468 0.053 1.00 0.00 C ATOM 407 CG LYS A 26 -14.434 -7.799 -0.314 1.00 0.00 C ATOM 408 CD LYS A 26 -14.372 -7.931 -1.836 1.00 0.00 C ATOM 409 CE LYS A 26 -13.984 -9.360 -2.193 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.044 -9.541 -3.670 1.00 0.00 N ATOM 0 H LYS A 26 -12.540 -6.274 0.113 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.680 -5.192 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.082 -6.339 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.121 -6.455 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.431 -7.858 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.007 -8.623 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.338 -7.682 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.645 -7.230 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.979 -9.576 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.657 -10.063 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.779 -10.517 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.011 -9.352 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.384 -8.880 -4.128 1.00 0.00 H new ATOM 424 N GLU A 27 -13.879 -3.949 1.318 1.00 0.00 N ATOM 425 CA GLU A 27 -14.000 -2.723 2.139 1.00 0.00 C ATOM 426 C GLU A 27 -13.193 -1.603 1.483 1.00 0.00 C ATOM 427 O GLU A 27 -13.282 -0.452 1.863 1.00 0.00 O ATOM 428 CB GLU A 27 -13.455 -2.990 3.544 1.00 0.00 C ATOM 429 CG GLU A 27 -14.307 -4.062 4.227 1.00 0.00 C ATOM 430 CD GLU A 27 -15.702 -3.501 4.510 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.856 -2.831 5.517 1.00 0.00 O ATOM 432 OE2 GLU A 27 -16.592 -3.752 3.714 1.00 0.00 O ATOM 0 H GLU A 27 -13.296 -4.684 1.718 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.048 -2.430 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.417 -3.317 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.468 -2.072 4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.380 -4.944 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.835 -4.379 5.157 1.00 0.00 H new ATOM 439 N ILE A 28 -12.395 -1.935 0.502 1.00 0.00 N ATOM 440 CA ILE A 28 -11.568 -0.906 -0.178 1.00 0.00 C ATOM 441 C ILE A 28 -12.343 -0.291 -1.340 1.00 0.00 C ATOM 442 O ILE A 28 -12.771 0.845 -1.278 1.00 0.00 O ATOM 443 CB ILE A 28 -10.310 -1.575 -0.728 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.468 -2.161 0.419 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.495 -0.552 -1.508 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.112 -1.079 1.449 1.00 0.00 C ATOM 0 H ILE A 28 -12.283 -2.883 0.143 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.309 -0.124 0.535 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.599 -2.390 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.020 -2.964 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.555 -2.600 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.596 -1.027 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.092 -0.164 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.213 0.268 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.517 -1.520 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.539 -0.289 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.027 -0.659 1.867 1.00 0.00 H new ATOM 458 N LEU A 29 -12.515 -1.027 -2.409 1.00 0.00 N ATOM 459 CA LEU A 29 -13.250 -0.478 -3.585 1.00 0.00 C ATOM 460 C LEU A 29 -14.516 0.228 -3.107 1.00 0.00 C ATOM 461 O LEU A 29 -14.976 1.176 -3.710 1.00 0.00 O ATOM 462 CB LEU A 29 -13.610 -1.618 -4.544 1.00 0.00 C ATOM 463 CG LEU A 29 -12.323 -2.268 -5.088 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.641 -3.669 -5.613 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.736 -1.423 -6.231 1.00 0.00 C ATOM 0 H LEU A 29 -12.178 -1.984 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.619 0.239 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.214 -2.363 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.212 -1.236 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.594 -2.329 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.731 -4.129 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.041 -4.279 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.378 -3.599 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.828 -1.896 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.464 -1.348 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.500 -0.425 -5.862 1.00 0.00 H new ATOM 477 N ASP A 30 -15.067 -0.205 -2.007 1.00 0.00 N ATOM 478 CA ASP A 30 -16.280 0.474 -1.478 1.00 0.00 C ATOM 479 C ASP A 30 -15.846 1.807 -0.876 1.00 0.00 C ATOM 480 O ASP A 30 -16.447 2.840 -1.104 1.00 0.00 O ATOM 481 CB ASP A 30 -16.925 -0.384 -0.387 1.00 0.00 C ATOM 482 CG ASP A 30 -17.652 -1.571 -1.023 1.00 0.00 C ATOM 483 OD1 ASP A 30 -17.982 -1.481 -2.193 1.00 0.00 O ATOM 484 OD2 ASP A 30 -17.867 -2.549 -0.328 1.00 0.00 O ATOM 0 H ASP A 30 -14.732 -0.995 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.003 0.627 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.163 -0.741 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.627 0.216 0.193 1.00 0.00 H new ATOM 489 N ALA A 31 -14.794 1.784 -0.105 1.00 0.00 N ATOM 490 CA ALA A 31 -14.302 3.036 0.520 1.00 0.00 C ATOM 491 C ALA A 31 -14.150 4.118 -0.543 1.00 0.00 C ATOM 492 O ALA A 31 -14.688 5.199 -0.418 1.00 0.00 O ATOM 493 CB ALA A 31 -12.965 2.778 1.191 1.00 0.00 C ATOM 0 H ALA A 31 -14.255 0.947 0.118 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.020 3.372 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.605 3.699 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.085 2.013 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.245 2.437 0.448 1.00 0.00 H new ATOM 499 N PHE A 32 -13.431 3.850 -1.595 1.00 0.00 N ATOM 500 CA PHE A 32 -13.281 4.891 -2.642 1.00 0.00 C ATOM 501 C PHE A 32 -14.672 5.287 -3.135 1.00 0.00 C ATOM 502 O PHE A 32 -14.913 6.419 -3.504 1.00 0.00 O ATOM 503 CB PHE A 32 -12.453 4.360 -3.822 1.00 0.00 C ATOM 504 CG PHE A 32 -11.199 3.645 -3.348 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.503 4.074 -2.206 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.719 2.550 -4.078 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.337 3.412 -1.805 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.557 1.888 -3.673 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.866 2.320 -2.538 1.00 0.00 C ATOM 0 H PHE A 32 -12.948 2.969 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.764 5.753 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.060 3.676 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.176 5.188 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.868 4.916 -1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.249 2.216 -4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.801 3.745 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.193 1.042 -4.237 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.967 1.809 -2.227 1.00 0.00 H new ATOM 519 N ASP A 33 -15.599 4.370 -3.127 1.00 0.00 N ATOM 520 CA ASP A 33 -16.974 4.710 -3.578 1.00 0.00 C ATOM 521 C ASP A 33 -17.675 5.467 -2.452 1.00 0.00 C ATOM 522 O ASP A 33 -18.824 5.845 -2.562 1.00 0.00 O ATOM 523 CB ASP A 33 -17.746 3.427 -3.897 1.00 0.00 C ATOM 524 CG ASP A 33 -19.137 3.787 -4.423 1.00 0.00 C ATOM 525 OD1 ASP A 33 -19.237 4.130 -5.590 1.00 0.00 O ATOM 526 OD2 ASP A 33 -20.079 3.712 -3.651 1.00 0.00 O ATOM 0 H ASP A 33 -15.463 3.404 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.933 5.326 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.206 2.840 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.832 2.810 -3.003 1.00 0.00 H new ATOM 531 N LYS A 34 -16.977 5.684 -1.361 1.00 0.00 N ATOM 532 CA LYS A 34 -17.569 6.412 -0.194 1.00 0.00 C ATOM 533 C LYS A 34 -16.808 7.723 0.038 1.00 0.00 C ATOM 534 O LYS A 34 -17.381 8.794 0.010 1.00 0.00 O ATOM 535 CB LYS A 34 -17.453 5.528 1.055 1.00 0.00 C ATOM 536 CG LYS A 34 -18.470 4.367 0.979 1.00 0.00 C ATOM 537 CD LYS A 34 -17.952 3.140 1.752 1.00 0.00 C ATOM 538 CE LYS A 34 -17.413 3.559 3.127 1.00 0.00 C ATOM 539 NZ LYS A 34 -17.557 2.424 4.081 1.00 0.00 N ATOM 0 H LYS A 34 -16.011 5.384 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.616 6.637 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.441 5.131 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.635 6.123 1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.426 4.687 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.647 4.099 -0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.756 2.415 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.165 2.649 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.366 3.850 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.958 4.429 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.192 2.706 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.561 2.167 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.018 1.606 3.731 1.00 0.00 H new ATOM 553 N MET A 35 -15.523 7.653 0.270 1.00 0.00 N ATOM 554 CA MET A 35 -14.741 8.905 0.503 1.00 0.00 C ATOM 555 C MET A 35 -14.562 9.618 -0.833 1.00 0.00 C ATOM 556 O MET A 35 -14.794 10.798 -0.961 1.00 0.00 O ATOM 557 CB MET A 35 -13.348 8.601 1.086 1.00 0.00 C ATOM 558 CG MET A 35 -13.399 7.438 2.088 1.00 0.00 C ATOM 559 SD MET A 35 -11.737 6.743 2.264 1.00 0.00 S ATOM 560 CE MET A 35 -11.566 6.079 0.583 1.00 0.00 C ATOM 0 H MET A 35 -14.983 6.788 0.308 1.00 0.00 H new ATOM 0 HA MET A 35 -15.285 9.524 1.216 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.659 8.356 0.277 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.957 9.491 1.579 1.00 0.00 H new ATOM 0 HG2 MET A 35 -13.766 7.788 3.053 1.00 0.00 H new ATOM 0 HG3 MET A 35 -14.093 6.672 1.742 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.273 5.030 0.634 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.518 6.165 0.059 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.804 6.643 0.045 1.00 0.00 H new ATOM 570 N CYS A 36 -14.144 8.899 -1.831 1.00 0.00 N ATOM 571 CA CYS A 36 -13.950 9.524 -3.162 1.00 0.00 C ATOM 572 C CYS A 36 -15.336 9.787 -3.766 1.00 0.00 C ATOM 573 O CYS A 36 -15.474 10.106 -4.930 1.00 0.00 O ATOM 574 CB CYS A 36 -13.115 8.565 -4.041 1.00 0.00 C ATOM 575 SG CYS A 36 -11.527 9.329 -4.466 1.00 0.00 S ATOM 0 H CYS A 36 -13.928 7.903 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.413 10.470 -3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.946 7.628 -3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.665 8.322 -4.950 1.00 0.00 H new ATOM 580 N SER A 37 -16.361 9.658 -2.961 1.00 0.00 N ATOM 581 CA SER A 37 -17.747 9.902 -3.449 1.00 0.00 C ATOM 582 C SER A 37 -18.051 11.401 -3.369 1.00 0.00 C ATOM 583 O SER A 37 -18.503 12.008 -4.320 1.00 0.00 O ATOM 584 CB SER A 37 -18.736 9.135 -2.570 1.00 0.00 C ATOM 585 OG SER A 37 -19.990 9.052 -3.235 1.00 0.00 O ATOM 0 H SER A 37 -16.293 9.392 -1.979 1.00 0.00 H new ATOM 0 HA SER A 37 -17.839 9.563 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.355 8.135 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.853 9.638 -1.610 1.00 0.00 H new ATOM 0 HG SER A 37 -20.625 8.559 -2.675 1.00 0.00 H new ATOM 591 N LYS A 38 -17.805 12.001 -2.234 1.00 0.00 N ATOM 592 CA LYS A 38 -18.076 13.460 -2.080 1.00 0.00 C ATOM 593 C LYS A 38 -17.103 14.252 -2.957 1.00 0.00 C ATOM 594 O LYS A 38 -17.382 15.365 -3.356 1.00 0.00 O ATOM 595 CB LYS A 38 -17.891 13.865 -0.612 1.00 0.00 C ATOM 596 CG LYS A 38 -16.476 13.500 -0.149 1.00 0.00 C ATOM 597 CD LYS A 38 -16.409 13.508 1.379 1.00 0.00 C ATOM 598 CE LYS A 38 -14.947 13.450 1.825 1.00 0.00 C ATOM 599 NZ LYS A 38 -14.224 14.652 1.321 1.00 0.00 N ATOM 0 H LYS A 38 -17.427 11.542 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.100 13.675 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.057 14.936 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.629 13.359 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.203 12.515 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.756 14.210 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.884 14.408 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.958 12.657 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.889 13.408 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.476 12.544 1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.456 14.896 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.824 14.449 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.886 15.451 1.250 1.00 0.00 H new ATOM 613 N LEU A 39 -15.960 13.686 -3.252 1.00 0.00 N ATOM 614 CA LEU A 39 -14.953 14.402 -4.105 1.00 0.00 C ATOM 615 C LEU A 39 -15.689 15.063 -5.301 1.00 0.00 C ATOM 616 O LEU A 39 -16.603 14.466 -5.834 1.00 0.00 O ATOM 617 CB LEU A 39 -13.913 13.367 -4.653 1.00 0.00 C ATOM 618 CG LEU A 39 -12.439 13.747 -4.289 1.00 0.00 C ATOM 619 CD1 LEU A 39 -11.903 12.817 -3.192 1.00 0.00 C ATOM 620 CD2 LEU A 39 -11.549 13.620 -5.536 1.00 0.00 C ATOM 0 H LEU A 39 -15.677 12.757 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.440 15.162 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.140 12.380 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.010 13.299 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.424 14.775 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.877 13.094 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.524 12.910 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.927 11.786 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.523 13.885 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.578 12.593 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.914 14.291 -6.313 1.00 0.00 H new ATOM 632 N PRO A 40 -15.275 16.246 -5.727 1.00 0.00 N ATOM 633 CA PRO A 40 -15.919 16.887 -6.882 1.00 0.00 C ATOM 634 C PRO A 40 -15.937 15.892 -8.051 1.00 0.00 C ATOM 635 O PRO A 40 -14.941 15.269 -8.356 1.00 0.00 O ATOM 636 CB PRO A 40 -15.046 18.124 -7.192 1.00 0.00 C ATOM 637 CG PRO A 40 -14.015 18.265 -6.037 1.00 0.00 C ATOM 638 CD PRO A 40 -14.173 17.030 -5.125 1.00 0.00 C ATOM 0 HA PRO A 40 -16.952 17.183 -6.699 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.537 18.005 -8.149 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.662 19.020 -7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.001 18.323 -6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.191 19.182 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.252 16.449 -5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.410 17.323 -4.102 1.00 0.00 H new ATOM 646 N LYS A 41 -17.067 15.735 -8.688 1.00 0.00 N ATOM 647 CA LYS A 41 -17.183 14.776 -9.828 1.00 0.00 C ATOM 648 C LYS A 41 -15.919 14.777 -10.686 1.00 0.00 C ATOM 649 O LYS A 41 -15.413 13.743 -11.076 1.00 0.00 O ATOM 650 CB LYS A 41 -18.365 15.193 -10.692 1.00 0.00 C ATOM 651 CG LYS A 41 -18.644 14.114 -11.733 1.00 0.00 C ATOM 652 CD LYS A 41 -19.964 14.437 -12.465 1.00 0.00 C ATOM 653 CE LYS A 41 -19.892 13.935 -13.907 1.00 0.00 C ATOM 654 NZ LYS A 41 -21.206 14.150 -14.578 1.00 0.00 N ATOM 0 H LYS A 41 -17.926 16.237 -8.464 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.324 13.772 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.246 15.349 -10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.151 16.141 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.823 14.061 -12.448 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.711 13.138 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.801 13.968 -11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.144 15.512 -12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.106 14.462 -14.447 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.634 12.876 -13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.155 13.808 -15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.946 13.628 -14.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.435 15.165 -14.577 1.00 0.00 H new ATOM 668 N SER A 42 -15.417 15.932 -10.988 1.00 0.00 N ATOM 669 CA SER A 42 -14.192 16.024 -11.832 1.00 0.00 C ATOM 670 C SER A 42 -13.061 15.207 -11.215 1.00 0.00 C ATOM 671 O SER A 42 -12.550 14.274 -11.805 1.00 0.00 O ATOM 672 CB SER A 42 -13.748 17.481 -11.897 1.00 0.00 C ATOM 673 OG SER A 42 -14.826 18.283 -12.360 1.00 0.00 O ATOM 0 H SER A 42 -15.802 16.827 -10.687 1.00 0.00 H new ATOM 0 HA SER A 42 -14.418 15.640 -12.827 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.426 17.819 -10.912 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.892 17.582 -12.564 1.00 0.00 H new ATOM 0 HG SER A 42 -14.543 19.220 -12.401 1.00 0.00 H new ATOM 679 N LEU A 43 -12.655 15.567 -10.034 1.00 0.00 N ATOM 680 CA LEU A 43 -11.541 14.843 -9.373 1.00 0.00 C ATOM 681 C LEU A 43 -12.051 13.534 -8.766 1.00 0.00 C ATOM 682 O LEU A 43 -11.289 12.762 -8.224 1.00 0.00 O ATOM 683 CB LEU A 43 -10.954 15.736 -8.275 1.00 0.00 C ATOM 684 CG LEU A 43 -10.179 16.911 -8.905 1.00 0.00 C ATOM 685 CD1 LEU A 43 -10.107 18.074 -7.909 1.00 0.00 C ATOM 686 CD2 LEU A 43 -8.750 16.480 -9.266 1.00 0.00 C ATOM 0 H LEU A 43 -13.050 16.337 -9.495 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.771 14.606 -10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.753 16.117 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.290 15.153 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.701 17.223 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.559 18.903 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.116 18.400 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.595 17.747 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.217 17.321 -9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.229 16.155 -8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.788 15.657 -9.980 1.00 0.00 H new ATOM 698 N SER A 44 -13.326 13.256 -8.868 1.00 0.00 N ATOM 699 CA SER A 44 -13.849 11.978 -8.314 1.00 0.00 C ATOM 700 C SER A 44 -13.697 10.943 -9.408 1.00 0.00 C ATOM 701 O SER A 44 -13.572 9.759 -9.165 1.00 0.00 O ATOM 702 CB SER A 44 -15.327 12.123 -7.941 1.00 0.00 C ATOM 703 OG SER A 44 -16.129 11.832 -9.078 1.00 0.00 O ATOM 0 H SER A 44 -14.022 13.857 -9.309 1.00 0.00 H new ATOM 0 HA SER A 44 -13.306 11.692 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.576 11.446 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.528 13.135 -7.589 1.00 0.00 H new ATOM 0 HG SER A 44 -15.833 12.379 -9.835 1.00 0.00 H new ATOM 709 N GLU A 45 -13.686 11.404 -10.627 1.00 0.00 N ATOM 710 CA GLU A 45 -13.519 10.483 -11.766 1.00 0.00 C ATOM 711 C GLU A 45 -12.031 10.186 -11.915 1.00 0.00 C ATOM 712 O GLU A 45 -11.631 9.111 -12.315 1.00 0.00 O ATOM 713 CB GLU A 45 -14.047 11.138 -13.045 1.00 0.00 C ATOM 714 CG GLU A 45 -15.576 11.171 -13.007 1.00 0.00 C ATOM 715 CD GLU A 45 -16.100 11.969 -14.203 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.398 12.035 -15.199 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.193 12.500 -14.103 1.00 0.00 O ATOM 0 H GLU A 45 -13.787 12.388 -10.877 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.075 9.562 -11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.653 12.150 -13.137 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.706 10.582 -13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.973 10.156 -13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.917 11.624 -12.076 1.00 0.00 H new ATOM 724 N GLU A 46 -11.206 11.144 -11.583 1.00 0.00 N ATOM 725 CA GLU A 46 -9.737 10.940 -11.692 1.00 0.00 C ATOM 726 C GLU A 46 -9.233 10.146 -10.483 1.00 0.00 C ATOM 727 O GLU A 46 -8.318 9.352 -10.594 1.00 0.00 O ATOM 728 CB GLU A 46 -9.036 12.300 -11.735 1.00 0.00 C ATOM 729 CG GLU A 46 -9.565 13.111 -12.919 1.00 0.00 C ATOM 730 CD GLU A 46 -9.067 12.492 -14.226 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.904 12.127 -14.280 1.00 0.00 O ATOM 732 OE2 GLU A 46 -9.856 12.393 -15.151 1.00 0.00 O ATOM 0 H GLU A 46 -11.491 12.062 -11.240 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.517 10.385 -12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.210 12.840 -10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.959 12.163 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.655 13.127 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.230 14.145 -12.843 1.00 0.00 H new ATOM 739 N CYS A 47 -9.814 10.346 -9.328 1.00 0.00 N ATOM 740 CA CYS A 47 -9.347 9.589 -8.132 1.00 0.00 C ATOM 741 C CYS A 47 -9.782 8.126 -8.264 1.00 0.00 C ATOM 742 O CYS A 47 -9.137 7.221 -7.766 1.00 0.00 O ATOM 743 CB CYS A 47 -9.922 10.216 -6.851 1.00 0.00 C ATOM 744 SG CYS A 47 -11.568 9.553 -6.474 1.00 0.00 S ATOM 0 H CYS A 47 -10.584 10.994 -9.163 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.260 9.633 -8.070 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.250 10.022 -6.015 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.982 11.298 -6.968 1.00 0.00 H new ATOM 749 N GLN A 48 -10.862 7.887 -8.963 1.00 0.00 N ATOM 750 CA GLN A 48 -11.335 6.493 -9.156 1.00 0.00 C ATOM 751 C GLN A 48 -10.606 5.935 -10.368 1.00 0.00 C ATOM 752 O GLN A 48 -10.574 4.744 -10.611 1.00 0.00 O ATOM 753 CB GLN A 48 -12.858 6.500 -9.394 1.00 0.00 C ATOM 754 CG GLN A 48 -13.600 6.325 -8.058 1.00 0.00 C ATOM 755 CD GLN A 48 -13.676 4.839 -7.695 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.448 4.466 -6.563 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.987 3.969 -8.617 1.00 0.00 N ATOM 0 H GLN A 48 -11.435 8.604 -9.408 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.132 5.878 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.156 7.436 -9.865 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.131 5.697 -10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.084 6.875 -7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.604 6.742 -8.132 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.179 4.281 -9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.038 2.977 -8.386 1.00 0.00 H new ATOM 766 N GLU A 49 -10.005 6.800 -11.127 1.00 0.00 N ATOM 767 CA GLU A 49 -9.265 6.340 -12.309 1.00 0.00 C ATOM 768 C GLU A 49 -7.985 5.655 -11.833 1.00 0.00 C ATOM 769 O GLU A 49 -7.520 4.695 -12.422 1.00 0.00 O ATOM 770 CB GLU A 49 -8.920 7.544 -13.186 1.00 0.00 C ATOM 771 CG GLU A 49 -8.277 7.067 -14.485 1.00 0.00 C ATOM 772 CD GLU A 49 -9.310 6.308 -15.321 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.438 6.768 -15.394 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.955 5.281 -15.876 1.00 0.00 O ATOM 0 H GLU A 49 -9.999 7.808 -10.973 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.865 5.641 -12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.821 8.117 -13.404 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.239 8.210 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.894 7.919 -15.047 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.426 6.422 -14.266 1.00 0.00 H new ATOM 781 N VAL A 50 -7.402 6.144 -10.767 1.00 0.00 N ATOM 782 CA VAL A 50 -6.146 5.523 -10.270 1.00 0.00 C ATOM 783 C VAL A 50 -6.438 4.270 -9.445 1.00 0.00 C ATOM 784 O VAL A 50 -5.789 3.270 -9.633 1.00 0.00 O ATOM 785 CB VAL A 50 -5.350 6.504 -9.425 1.00 0.00 C ATOM 786 CG1 VAL A 50 -4.002 5.860 -9.098 1.00 0.00 C ATOM 787 CG2 VAL A 50 -5.124 7.789 -10.222 1.00 0.00 C ATOM 0 H VAL A 50 -7.741 6.940 -10.226 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.558 5.244 -11.144 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.887 6.744 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.409 6.544 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.165 4.934 -8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.469 5.642 -10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.553 8.495 -9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.571 7.560 -11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.086 8.229 -10.483 1.00 0.00 H new ATOM 797 N VAL A 51 -7.392 4.282 -8.530 1.00 0.00 N ATOM 798 CA VAL A 51 -7.644 3.019 -7.748 1.00 0.00 C ATOM 799 C VAL A 51 -7.773 1.878 -8.751 1.00 0.00 C ATOM 800 O VAL A 51 -7.230 0.807 -8.566 1.00 0.00 O ATOM 801 CB VAL A 51 -8.915 3.120 -6.890 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.887 4.411 -6.064 1.00 0.00 C ATOM 803 CG2 VAL A 51 -10.156 3.100 -7.786 1.00 0.00 C ATOM 0 H VAL A 51 -7.985 5.079 -8.298 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.816 2.846 -7.060 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.954 2.266 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.791 4.475 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.013 4.407 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.837 5.270 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.052 3.172 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.121 3.944 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.180 2.170 -8.353 1.00 0.00 H new ATOM 813 N ASP A 52 -8.440 2.124 -9.848 1.00 0.00 N ATOM 814 CA ASP A 52 -8.534 1.073 -10.889 1.00 0.00 C ATOM 815 C ASP A 52 -7.101 0.711 -11.279 1.00 0.00 C ATOM 816 O ASP A 52 -6.763 -0.443 -11.454 1.00 0.00 O ATOM 817 CB ASP A 52 -9.288 1.613 -12.107 1.00 0.00 C ATOM 818 CG ASP A 52 -9.433 0.503 -13.151 1.00 0.00 C ATOM 819 OD1 ASP A 52 -8.542 0.370 -13.974 1.00 0.00 O ATOM 820 OD2 ASP A 52 -10.433 -0.194 -13.109 1.00 0.00 O ATOM 0 H ASP A 52 -8.917 3.000 -10.062 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.072 0.200 -10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.271 1.976 -11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.752 2.460 -12.534 1.00 0.00 H new ATOM 825 N THR A 53 -6.244 1.702 -11.386 1.00 0.00 N ATOM 826 CA THR A 53 -4.819 1.426 -11.728 1.00 0.00 C ATOM 827 C THR A 53 -4.080 0.953 -10.470 1.00 0.00 C ATOM 828 O THR A 53 -3.068 0.286 -10.544 1.00 0.00 O ATOM 829 CB THR A 53 -4.167 2.670 -12.340 1.00 0.00 C ATOM 830 OG1 THR A 53 -4.862 3.019 -13.528 1.00 0.00 O ATOM 831 CG2 THR A 53 -2.703 2.379 -12.680 1.00 0.00 C ATOM 0 H THR A 53 -6.474 2.686 -11.251 1.00 0.00 H new ATOM 0 HA THR A 53 -4.764 0.634 -12.475 1.00 0.00 H new ATOM 0 HB THR A 53 -4.212 3.491 -11.624 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.655 3.548 -13.300 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.247 3.268 -13.115 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.167 2.103 -11.772 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.652 1.558 -13.396 1.00 0.00 H new ATOM 839 N TYR A 54 -4.601 1.277 -9.313 1.00 0.00 N ATOM 840 CA TYR A 54 -3.970 0.844 -8.027 1.00 0.00 C ATOM 841 C TYR A 54 -5.047 0.240 -7.136 1.00 0.00 C ATOM 842 O TYR A 54 -5.562 0.887 -6.245 1.00 0.00 O ATOM 843 CB TYR A 54 -3.365 2.038 -7.302 1.00 0.00 C ATOM 844 CG TYR A 54 -2.163 2.524 -8.061 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.350 3.159 -9.278 1.00 0.00 C ATOM 846 CD2 TYR A 54 -0.878 2.361 -7.541 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.258 3.648 -9.995 1.00 0.00 C ATOM 848 CE2 TYR A 54 0.227 2.840 -8.255 1.00 0.00 C ATOM 849 CZ TYR A 54 0.037 3.488 -9.485 1.00 0.00 C ATOM 850 OH TYR A 54 1.123 3.970 -10.188 1.00 0.00 O ATOM 0 H TYR A 54 -5.450 1.832 -9.203 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.186 0.118 -8.244 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.102 2.837 -7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.080 1.756 -6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.348 3.276 -9.674 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.737 1.867 -6.591 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.410 4.148 -10.940 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.224 2.711 -7.860 1.00 0.00 H new ATOM 0 HH TYR A 54 1.946 3.776 -9.692 1.00 0.00 H new ATOM 860 N GLY A 55 -5.399 -0.988 -7.366 1.00 0.00 N ATOM 861 CA GLY A 55 -6.447 -1.637 -6.528 1.00 0.00 C ATOM 862 C GLY A 55 -6.143 -3.131 -6.387 1.00 0.00 C ATOM 863 O GLY A 55 -5.408 -3.547 -5.527 1.00 0.00 O ATOM 0 H GLY A 55 -5.007 -1.577 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.481 -1.169 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.428 -1.497 -6.982 1.00 0.00 H new ATOM 867 N SER A 56 -6.704 -3.956 -7.211 1.00 0.00 N ATOM 868 CA SER A 56 -6.427 -5.412 -7.066 1.00 0.00 C ATOM 869 C SER A 56 -4.916 -5.658 -6.927 1.00 0.00 C ATOM 870 O SER A 56 -4.494 -6.690 -6.442 1.00 0.00 O ATOM 871 CB SER A 56 -6.964 -6.163 -8.285 1.00 0.00 C ATOM 872 OG SER A 56 -6.493 -7.504 -8.255 1.00 0.00 O ATOM 0 H SER A 56 -7.334 -3.697 -7.970 1.00 0.00 H new ATOM 0 HA SER A 56 -6.925 -5.777 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.054 -6.148 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.639 -5.671 -9.202 1.00 0.00 H new ATOM 0 HG SER A 56 -6.837 -7.989 -9.034 1.00 0.00 H new ATOM 878 N SER A 57 -4.093 -4.713 -7.317 1.00 0.00 N ATOM 879 CA SER A 57 -2.617 -4.911 -7.177 1.00 0.00 C ATOM 880 C SER A 57 -2.170 -4.327 -5.846 1.00 0.00 C ATOM 881 O SER A 57 -2.041 -5.042 -4.881 1.00 0.00 O ATOM 882 CB SER A 57 -1.865 -4.207 -8.311 1.00 0.00 C ATOM 883 OG SER A 57 -2.059 -4.928 -9.521 1.00 0.00 O ATOM 0 H SER A 57 -4.377 -3.821 -7.723 1.00 0.00 H new ATOM 0 HA SER A 57 -2.396 -5.977 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.225 -3.184 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.802 -4.147 -8.076 1.00 0.00 H new ATOM 0 HG SER A 57 -1.581 -4.480 -10.249 1.00 0.00 H new ATOM 889 N ILE A 58 -1.952 -3.028 -5.792 1.00 0.00 N ATOM 890 CA ILE A 58 -1.516 -2.348 -4.523 1.00 0.00 C ATOM 891 C ILE A 58 -1.998 -3.126 -3.305 1.00 0.00 C ATOM 892 O ILE A 58 -1.263 -3.360 -2.367 1.00 0.00 O ATOM 893 CB ILE A 58 -2.127 -0.946 -4.498 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.625 -0.161 -3.272 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.648 -1.048 -4.443 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.519 1.066 -3.044 1.00 0.00 C ATOM 0 H ILE A 58 -2.060 -2.400 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.428 -2.298 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.825 -0.420 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.636 -0.800 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.593 0.152 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.079 -0.047 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.009 -1.583 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.944 -1.587 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.162 1.620 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.486 1.709 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.545 0.741 -2.870 1.00 0.00 H new ATOM 908 N LEU A 59 -3.229 -3.525 -3.314 1.00 0.00 N ATOM 909 CA LEU A 59 -3.750 -4.291 -2.151 1.00 0.00 C ATOM 910 C LEU A 59 -3.159 -5.708 -2.160 1.00 0.00 C ATOM 911 O LEU A 59 -2.631 -6.170 -1.171 1.00 0.00 O ATOM 912 CB LEU A 59 -5.288 -4.404 -2.182 1.00 0.00 C ATOM 913 CG LEU A 59 -5.934 -3.088 -2.615 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.415 -3.325 -2.915 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.788 -2.030 -1.512 1.00 0.00 C ATOM 0 H LEU A 59 -3.896 -3.358 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.458 -3.754 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.582 -5.199 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.654 -4.683 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.432 -2.724 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.878 -2.388 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.511 -4.059 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.913 -3.698 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.253 -1.099 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.276 -2.382 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.731 -1.856 -1.312 1.00 0.00 H new ATOM 927 N SER A 60 -3.266 -6.415 -3.261 1.00 0.00 N ATOM 928 CA SER A 60 -2.736 -7.816 -3.309 1.00 0.00 C ATOM 929 C SER A 60 -1.233 -7.830 -3.618 1.00 0.00 C ATOM 930 O SER A 60 -0.632 -8.877 -3.749 1.00 0.00 O ATOM 931 CB SER A 60 -3.476 -8.594 -4.397 1.00 0.00 C ATOM 932 OG SER A 60 -3.244 -9.985 -4.223 1.00 0.00 O ATOM 0 H SER A 60 -3.696 -6.084 -4.125 1.00 0.00 H new ATOM 0 HA SER A 60 -2.893 -8.277 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.544 -8.383 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.134 -8.277 -5.382 1.00 0.00 H new ATOM 0 HG SER A 60 -2.300 -10.134 -4.005 1.00 0.00 H new ATOM 938 N ILE A 61 -0.627 -6.687 -3.763 1.00 0.00 N ATOM 939 CA ILE A 61 0.826 -6.648 -4.095 1.00 0.00 C ATOM 940 C ILE A 61 1.663 -7.020 -2.855 1.00 0.00 C ATOM 941 O ILE A 61 2.332 -8.032 -2.850 1.00 0.00 O ATOM 942 CB ILE A 61 1.159 -5.235 -4.678 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.194 -5.326 -5.801 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.657 -4.250 -3.624 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.568 -5.665 -5.241 1.00 0.00 C ATOM 0 H ILE A 61 -1.074 -5.775 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 61 1.080 -7.387 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 61 0.216 -4.856 -5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.891 -6.087 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.239 -4.379 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.870 -3.290 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.892 -4.118 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.566 -4.638 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.289 -5.725 -6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.877 -4.889 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.524 -6.624 -4.725 1.00 0.00 H new ATOM 957 N LEU A 62 1.635 -6.232 -1.820 1.00 0.00 N ATOM 958 CA LEU A 62 2.451 -6.545 -0.598 1.00 0.00 C ATOM 959 C LEU A 62 2.292 -8.008 -0.180 1.00 0.00 C ATOM 960 O LEU A 62 3.054 -8.520 0.616 1.00 0.00 O ATOM 961 CB LEU A 62 2.033 -5.617 0.538 1.00 0.00 C ATOM 962 CG LEU A 62 2.183 -4.166 0.066 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.668 -3.219 1.152 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.653 -3.851 -0.256 1.00 0.00 C ATOM 0 H LEU A 62 1.081 -5.378 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 62 3.504 -6.386 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.001 -5.815 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.651 -5.794 1.418 1.00 0.00 H new ATOM 0 HG LEU A 62 1.597 -4.028 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.775 -2.188 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.617 -3.429 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.245 -3.365 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.739 -2.817 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.260 -3.996 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.003 -4.517 -1.045 1.00 0.00 H new ATOM 976 N LEU A 63 1.303 -8.677 -0.686 1.00 0.00 N ATOM 977 CA LEU A 63 1.076 -10.087 -0.302 1.00 0.00 C ATOM 978 C LEU A 63 2.015 -11.056 -1.035 1.00 0.00 C ATOM 979 O LEU A 63 2.665 -11.870 -0.410 1.00 0.00 O ATOM 980 CB LEU A 63 -0.360 -10.428 -0.665 1.00 0.00 C ATOM 981 CG LEU A 63 -1.306 -9.711 0.302 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.230 -8.189 0.114 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.739 -10.202 0.068 1.00 0.00 C ATOM 0 H LEU A 63 0.634 -8.301 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 63 1.273 -10.194 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.570 -10.125 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.515 -11.506 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.004 -9.939 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.911 -7.702 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.212 -7.849 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.513 -7.934 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.415 -9.693 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.035 -9.986 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.788 -11.277 0.241 1.00 0.00 H new ATOM 995 N GLU A 64 2.051 -11.028 -2.351 1.00 0.00 N ATOM 996 CA GLU A 64 2.907 -12.015 -3.101 1.00 0.00 C ATOM 997 C GLU A 64 3.786 -11.343 -4.155 1.00 0.00 C ATOM 998 O GLU A 64 4.988 -11.519 -4.167 1.00 0.00 O ATOM 999 CB GLU A 64 1.984 -12.994 -3.819 1.00 0.00 C ATOM 1000 CG GLU A 64 1.124 -13.736 -2.793 1.00 0.00 C ATOM 1001 CD GLU A 64 2.000 -14.700 -1.992 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.684 -15.499 -2.610 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.972 -14.623 -0.775 1.00 0.00 O ATOM 0 H GLU A 64 1.531 -10.372 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 64 3.558 -12.508 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.347 -12.459 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.572 -13.706 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.643 -13.023 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.329 -14.285 -3.298 1.00 0.00 H new ATOM 1010 N GLU A 65 3.198 -10.620 -5.070 1.00 0.00 N ATOM 1011 CA GLU A 65 4.004 -9.986 -6.154 1.00 0.00 C ATOM 1012 C GLU A 65 5.260 -9.340 -5.583 1.00 0.00 C ATOM 1013 O GLU A 65 6.187 -9.015 -6.298 1.00 0.00 O ATOM 1014 CB GLU A 65 3.161 -8.937 -6.876 1.00 0.00 C ATOM 1015 CG GLU A 65 1.767 -9.503 -7.152 1.00 0.00 C ATOM 1016 CD GLU A 65 1.032 -8.592 -8.138 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.610 -8.275 -9.165 1.00 0.00 O ATOM 1018 OE2 GLU A 65 -0.096 -8.227 -7.850 1.00 0.00 O ATOM 0 H GLU A 65 2.195 -10.441 -5.114 1.00 0.00 H new ATOM 0 HA GLU A 65 4.305 -10.758 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.085 -8.035 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.641 -8.651 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.846 -10.510 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.203 -9.580 -6.222 1.00 0.00 H new ATOM 1025 N VAL A 66 5.297 -9.154 -4.303 1.00 0.00 N ATOM 1026 CA VAL A 66 6.492 -8.527 -3.670 1.00 0.00 C ATOM 1027 C VAL A 66 6.664 -9.048 -2.235 1.00 0.00 C ATOM 1028 O VAL A 66 5.729 -9.064 -1.458 1.00 0.00 O ATOM 1029 CB VAL A 66 6.274 -7.011 -3.661 1.00 0.00 C ATOM 1030 CG1 VAL A 66 5.265 -6.641 -2.575 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.604 -6.280 -3.420 1.00 0.00 C ATOM 0 H VAL A 66 4.549 -9.409 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 66 7.394 -8.776 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 66 5.883 -6.705 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.113 -5.562 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.317 -7.141 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.644 -6.957 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.432 -5.204 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.018 -6.585 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.307 -6.533 -4.214 1.00 0.00 H new ATOM 1041 N SER A 67 7.851 -9.453 -1.870 1.00 0.00 N ATOM 1042 CA SER A 67 8.066 -9.945 -0.477 1.00 0.00 C ATOM 1043 C SER A 67 8.035 -8.726 0.462 1.00 0.00 C ATOM 1044 O SER A 67 8.410 -7.652 0.048 1.00 0.00 O ATOM 1045 CB SER A 67 9.431 -10.635 -0.379 1.00 0.00 C ATOM 1046 OG SER A 67 9.903 -10.557 0.959 1.00 0.00 O ATOM 0 H SER A 67 8.676 -9.465 -2.470 1.00 0.00 H new ATOM 0 HA SER A 67 7.292 -10.661 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.347 -11.677 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.141 -10.159 -1.055 1.00 0.00 H new ATOM 0 HG SER A 67 10.775 -10.999 1.024 1.00 0.00 H new ATOM 1052 N PRO A 68 7.593 -8.896 1.693 1.00 0.00 N ATOM 1053 CA PRO A 68 7.526 -7.763 2.635 1.00 0.00 C ATOM 1054 C PRO A 68 8.910 -7.114 2.798 1.00 0.00 C ATOM 1055 O PRO A 68 9.024 -5.966 3.183 1.00 0.00 O ATOM 1056 CB PRO A 68 7.029 -8.381 3.963 1.00 0.00 C ATOM 1057 CG PRO A 68 6.941 -9.920 3.755 1.00 0.00 C ATOM 1058 CD PRO A 68 7.144 -10.191 2.251 1.00 0.00 C ATOM 0 HA PRO A 68 6.862 -6.971 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.713 -8.142 4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.055 -7.974 4.235 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.702 -10.432 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.974 -10.298 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.886 -10.972 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.219 -10.526 1.781 1.00 0.00 H new ATOM 1066 N GLU A 69 9.964 -7.837 2.521 1.00 0.00 N ATOM 1067 CA GLU A 69 11.324 -7.245 2.680 1.00 0.00 C ATOM 1068 C GLU A 69 11.652 -6.353 1.480 1.00 0.00 C ATOM 1069 O GLU A 69 12.020 -5.206 1.640 1.00 0.00 O ATOM 1070 CB GLU A 69 12.364 -8.363 2.809 1.00 0.00 C ATOM 1071 CG GLU A 69 13.770 -7.758 2.814 1.00 0.00 C ATOM 1072 CD GLU A 69 14.780 -8.815 3.265 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.630 -9.958 2.864 1.00 0.00 O ATOM 1074 OE2 GLU A 69 15.687 -8.463 4.002 1.00 0.00 O ATOM 0 H GLU A 69 9.942 -8.803 2.194 1.00 0.00 H new ATOM 0 HA GLU A 69 11.345 -6.636 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.196 -8.926 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.262 -9.065 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.026 -7.398 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.805 -6.898 3.483 1.00 0.00 H new ATOM 1081 N LEU A 70 11.508 -6.848 0.279 1.00 0.00 N ATOM 1082 CA LEU A 70 11.799 -5.994 -0.907 1.00 0.00 C ATOM 1083 C LEU A 70 11.020 -4.689 -0.741 1.00 0.00 C ATOM 1084 O LEU A 70 11.495 -3.613 -1.040 1.00 0.00 O ATOM 1085 CB LEU A 70 11.348 -6.743 -2.177 1.00 0.00 C ATOM 1086 CG LEU A 70 11.176 -5.783 -3.367 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.503 -5.080 -3.658 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.738 -6.580 -4.608 1.00 0.00 C ATOM 0 H LEU A 70 11.204 -7.799 0.070 1.00 0.00 H new ATOM 0 HA LEU A 70 12.863 -5.775 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.082 -7.509 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.406 -7.256 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 70 10.418 -5.038 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.378 -4.401 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.815 -4.515 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.263 -5.823 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.616 -5.901 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.497 -7.325 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.791 -7.079 -4.404 1.00 0.00 H new ATOM 1100 N VAL A 71 9.820 -4.793 -0.258 1.00 0.00 N ATOM 1101 CA VAL A 71 8.983 -3.587 -0.055 1.00 0.00 C ATOM 1102 C VAL A 71 9.773 -2.538 0.711 1.00 0.00 C ATOM 1103 O VAL A 71 10.097 -1.493 0.185 1.00 0.00 O ATOM 1104 CB VAL A 71 7.750 -3.987 0.745 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.927 -2.744 1.087 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.913 -4.963 -0.087 1.00 0.00 C ATOM 0 H VAL A 71 9.378 -5.673 0.008 1.00 0.00 H new ATOM 0 HA VAL A 71 8.686 -3.170 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 71 8.053 -4.469 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.047 -3.037 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.533 -2.058 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.614 -2.250 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.028 -5.256 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.608 -4.481 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.507 -5.848 -0.315 1.00 0.00 H new ATOM 1116 N CYS A 72 10.088 -2.802 1.954 1.00 0.00 N ATOM 1117 CA CYS A 72 10.863 -1.793 2.745 1.00 0.00 C ATOM 1118 C CYS A 72 12.031 -1.286 1.898 1.00 0.00 C ATOM 1119 O CYS A 72 12.578 -0.229 2.143 1.00 0.00 O ATOM 1120 CB CYS A 72 11.391 -2.390 4.056 1.00 0.00 C ATOM 1121 SG CYS A 72 11.998 -1.051 5.101 1.00 0.00 S ATOM 0 H CYS A 72 9.847 -3.659 2.451 1.00 0.00 H new ATOM 0 HA CYS A 72 10.197 -0.969 3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.599 -2.938 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.191 -3.102 3.852 1.00 0.00 H new ATOM 1126 N SER A 73 12.388 -2.018 0.873 1.00 0.00 N ATOM 1127 CA SER A 73 13.486 -1.559 -0.021 1.00 0.00 C ATOM 1128 C SER A 73 12.876 -0.581 -1.032 1.00 0.00 C ATOM 1129 O SER A 73 13.314 0.547 -1.152 1.00 0.00 O ATOM 1130 CB SER A 73 14.126 -2.766 -0.729 1.00 0.00 C ATOM 1131 OG SER A 73 15.530 -2.744 -0.503 1.00 0.00 O ATOM 0 H SER A 73 11.966 -2.911 0.620 1.00 0.00 H new ATOM 0 HA SER A 73 14.273 -1.062 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.698 -3.695 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.916 -2.730 -1.798 1.00 0.00 H new ATOM 0 HG SER A 73 15.945 -3.511 -0.950 1.00 0.00 H new ATOM 1137 N MET A 74 11.851 -0.988 -1.744 1.00 0.00 N ATOM 1138 CA MET A 74 11.216 -0.047 -2.715 1.00 0.00 C ATOM 1139 C MET A 74 10.892 1.254 -1.977 1.00 0.00 C ATOM 1140 O MET A 74 11.067 2.337 -2.500 1.00 0.00 O ATOM 1141 CB MET A 74 9.916 -0.646 -3.278 1.00 0.00 C ATOM 1142 CG MET A 74 10.231 -1.659 -4.385 1.00 0.00 C ATOM 1143 SD MET A 74 8.725 -2.008 -5.333 1.00 0.00 S ATOM 1144 CE MET A 74 7.782 -2.817 -4.015 1.00 0.00 C ATOM 0 H MET A 74 11.433 -1.917 -1.695 1.00 0.00 H new ATOM 0 HA MET A 74 11.900 0.136 -3.544 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.356 -1.133 -2.479 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.283 0.149 -3.673 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.005 -1.265 -5.044 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.621 -2.579 -3.950 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.997 -3.432 -4.454 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.448 -3.446 -3.425 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.333 -2.060 -3.372 1.00 0.00 H new ATOM 1154 N LEU A 75 10.430 1.157 -0.759 1.00 0.00 N ATOM 1155 CA LEU A 75 10.112 2.395 0.006 1.00 0.00 C ATOM 1156 C LEU A 75 11.396 3.215 0.135 1.00 0.00 C ATOM 1157 O LEU A 75 11.378 4.364 0.530 1.00 0.00 O ATOM 1158 CB LEU A 75 9.591 2.036 1.405 1.00 0.00 C ATOM 1159 CG LEU A 75 8.355 1.127 1.306 1.00 0.00 C ATOM 1160 CD1 LEU A 75 7.808 0.856 2.716 1.00 0.00 C ATOM 1161 CD2 LEU A 75 7.269 1.800 0.450 1.00 0.00 C ATOM 0 H LEU A 75 10.260 0.281 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 75 9.342 2.965 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.374 1.533 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.337 2.946 1.949 1.00 0.00 H new ATOM 0 HG LEU A 75 8.640 0.186 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.931 0.212 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.574 0.365 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.530 1.799 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.399 1.147 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.980 2.747 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.657 1.984 -0.552 1.00 0.00 H new ATOM 1173 N HIS A 76 12.510 2.632 -0.219 1.00 0.00 N ATOM 1174 CA HIS A 76 13.800 3.367 -0.146 1.00 0.00 C ATOM 1175 C HIS A 76 13.952 4.023 1.234 1.00 0.00 C ATOM 1176 O HIS A 76 14.013 5.231 1.355 1.00 0.00 O ATOM 1177 CB HIS A 76 13.818 4.434 -1.257 1.00 0.00 C ATOM 1178 CG HIS A 76 14.356 3.844 -2.535 1.00 0.00 C ATOM 1179 ND1 HIS A 76 15.641 3.334 -2.630 1.00 0.00 N ATOM 1180 CD2 HIS A 76 13.795 3.679 -3.778 1.00 0.00 C ATOM 1181 CE1 HIS A 76 15.810 2.890 -3.889 1.00 0.00 C ATOM 1182 NE2 HIS A 76 14.715 3.077 -4.632 1.00 0.00 N ATOM 0 H HIS A 76 12.579 1.672 -0.557 1.00 0.00 H new ATOM 0 HA HIS A 76 14.633 2.679 -0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.811 4.817 -1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.434 5.279 -0.950 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.792 3.972 -4.051 1.00 0.00 H new ATOM 0 HE1 HIS A 76 16.720 2.438 -4.255 1.00 0.00 H new ATOM 0 HE2 HIS A 76 14.582 2.832 -5.613 1.00 0.00 H new ATOM 1190 N LEU A 77 14.034 3.232 2.275 1.00 0.00 N ATOM 1191 CA LEU A 77 14.206 3.806 3.651 1.00 0.00 C ATOM 1192 C LEU A 77 15.702 3.837 3.987 1.00 0.00 C ATOM 1193 O LEU A 77 16.156 4.657 4.760 1.00 0.00 O ATOM 1194 CB LEU A 77 13.455 2.937 4.688 1.00 0.00 C ATOM 1195 CG LEU A 77 11.999 3.427 4.842 1.00 0.00 C ATOM 1196 CD1 LEU A 77 11.109 2.276 5.324 1.00 0.00 C ATOM 1197 CD2 LEU A 77 11.941 4.573 5.866 1.00 0.00 C ATOM 0 H LEU A 77 13.990 2.214 2.234 1.00 0.00 H new ATOM 0 HA LEU A 77 13.796 4.815 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.464 1.894 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.966 2.984 5.650 1.00 0.00 H new ATOM 0 HG LEU A 77 11.642 3.782 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.083 2.629 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.140 1.464 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.470 1.915 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.911 4.915 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.306 4.218 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.565 5.399 5.524 1.00 0.00 H new ATOM 1209 N CYS A 78 16.469 2.953 3.409 1.00 0.00 N ATOM 1210 CA CYS A 78 17.931 2.939 3.695 1.00 0.00 C ATOM 1211 C CYS A 78 18.589 4.130 2.999 1.00 0.00 C ATOM 1212 O CYS A 78 19.646 4.585 3.389 1.00 0.00 O ATOM 1213 CB CYS A 78 18.546 1.643 3.165 1.00 0.00 C ATOM 1214 SG CYS A 78 17.661 0.224 3.858 1.00 0.00 S ATOM 0 H CYS A 78 16.147 2.242 2.753 1.00 0.00 H new ATOM 0 HA CYS A 78 18.092 3.003 4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 78 18.493 1.622 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 78 19.601 1.593 3.433 1.00 0.00 H new ATOM 1219 N SER A 79 17.970 4.637 1.970 1.00 0.00 N ATOM 1220 CA SER A 79 18.555 5.797 1.242 1.00 0.00 C ATOM 1221 C SER A 79 18.964 6.878 2.244 1.00 0.00 C ATOM 1222 O SER A 79 18.136 7.583 2.786 1.00 0.00 O ATOM 1223 CB SER A 79 17.518 6.367 0.275 1.00 0.00 C ATOM 1224 OG SER A 79 16.396 6.836 1.012 1.00 0.00 O ATOM 0 H SER A 79 17.082 4.297 1.601 1.00 0.00 H new ATOM 0 HA SER A 79 19.432 5.469 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.953 7.181 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.207 5.601 -0.435 1.00 0.00 H new ATOM 0 HG SER A 79 16.703 7.398 1.753 1.00 0.00 H new ATOM 1230 N GLY A 80 20.238 7.021 2.486 1.00 0.00 N ATOM 1231 CA GLY A 80 20.702 8.065 3.443 1.00 0.00 C ATOM 1232 C GLY A 80 20.682 9.415 2.736 1.00 0.00 C ATOM 1233 O GLY A 80 20.519 10.454 3.343 1.00 0.00 O ATOM 0 H GLY A 80 20.978 6.460 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.056 8.088 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.708 7.836 3.794 1.00 0.00 H new ATOM 1237 N LEU A 81 20.839 9.388 1.443 1.00 0.00 N ATOM 1238 CA LEU A 81 20.829 10.632 0.629 1.00 0.00 C ATOM 1239 C LEU A 81 19.784 10.472 -0.455 1.00 0.00 C ATOM 1240 O LEU A 81 19.067 9.492 -0.497 1.00 0.00 O ATOM 1241 CB LEU A 81 22.209 10.829 -0.016 1.00 0.00 C ATOM 1242 CG LEU A 81 22.802 9.476 -0.431 1.00 0.00 C ATOM 1243 CD1 LEU A 81 21.844 8.723 -1.372 1.00 0.00 C ATOM 1244 CD2 LEU A 81 24.133 9.715 -1.149 1.00 0.00 C ATOM 0 H LEU A 81 20.977 8.533 0.904 1.00 0.00 H new ATOM 0 HA LEU A 81 20.601 11.496 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.121 11.478 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 81 22.878 11.327 0.686 1.00 0.00 H new ATOM 0 HG LEU A 81 22.956 8.871 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.286 7.767 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.896 8.549 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.671 9.319 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 81 24.562 8.759 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.964 10.329 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 81 24.822 10.228 -0.477 1.00 0.00 H new ATOM 1256 N VAL A 82 19.711 11.393 -1.362 1.00 0.00 N ATOM 1257 CA VAL A 82 18.730 11.231 -2.464 1.00 0.00 C ATOM 1258 C VAL A 82 19.370 10.302 -3.516 1.00 0.00 C ATOM 1259 O VAL A 82 20.503 10.526 -3.893 1.00 0.00 O ATOM 1260 CB VAL A 82 18.400 12.585 -3.099 1.00 0.00 C ATOM 1261 CG1 VAL A 82 17.339 13.303 -2.262 1.00 0.00 C ATOM 1262 CG2 VAL A 82 19.667 13.442 -3.165 1.00 0.00 C ATOM 0 H VAL A 82 20.278 12.241 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 82 17.801 10.809 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 82 18.016 12.426 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 82 17.107 14.266 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 82 16.436 12.694 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 82 17.718 13.461 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 82 19.431 14.405 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 82 20.053 13.598 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 82 20.420 12.933 -3.767 1.00 0.00 H new ATOM 1272 N PRO A 83 18.667 9.277 -3.959 1.00 0.00 N ATOM 1273 CA PRO A 83 19.234 8.339 -4.935 1.00 0.00 C ATOM 1274 C PRO A 83 19.945 9.094 -6.065 1.00 0.00 C ATOM 1275 O PRO A 83 19.324 9.773 -6.858 1.00 0.00 O ATOM 1276 CB PRO A 83 18.032 7.535 -5.453 1.00 0.00 C ATOM 1277 CG PRO A 83 16.882 7.767 -4.443 1.00 0.00 C ATOM 1278 CD PRO A 83 17.278 8.971 -3.563 1.00 0.00 C ATOM 0 HA PRO A 83 19.990 7.687 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 83 17.745 7.866 -6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 83 18.276 6.475 -5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.946 7.965 -4.966 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.724 6.879 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.619 9.822 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.212 8.727 -2.503 1.00 0.00 H new ATOM 1286 N ARG A 84 21.243 8.980 -6.146 1.00 0.00 N ATOM 1287 CA ARG A 84 21.987 9.688 -7.224 1.00 0.00 C ATOM 1288 C ARG A 84 21.787 8.949 -8.549 1.00 0.00 C ATOM 1289 O ARG A 84 21.182 9.524 -9.440 1.00 0.00 O ATOM 1290 CB ARG A 84 23.481 9.720 -6.879 1.00 0.00 C ATOM 1291 CG ARG A 84 23.699 10.417 -5.525 1.00 0.00 C ATOM 1292 CD ARG A 84 23.726 11.940 -5.710 1.00 0.00 C ATOM 1293 NE ARG A 84 24.783 12.306 -6.694 1.00 0.00 N ATOM 1294 CZ ARG A 84 24.790 13.494 -7.235 1.00 0.00 C ATOM 1295 NH1 ARG A 84 23.872 14.363 -6.909 1.00 0.00 N ATOM 1296 NH2 ARG A 84 25.711 13.811 -8.102 1.00 0.00 N ATOM 1297 OXT ARG A 84 22.242 7.822 -8.651 1.00 0.00 O ATOM 0 H ARG A 84 21.819 8.427 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 84 21.613 10.708 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 84 23.875 8.704 -6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 84 24.031 10.246 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 84 22.902 10.142 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 84 24.636 10.081 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 84 22.754 12.291 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 84 23.919 12.429 -4.755 1.00 0.00 H new ATOM 0 HE ARG A 84 25.502 11.628 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 84 23.151 14.113 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 84 23.876 15.292 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 84 26.426 13.131 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 84 25.716 14.739 -8.524 1.00 0.00 H new TER 1311 ARG A 84