USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 889 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 Single : A 1 MET CE :methyl 165:sc= -0.0274 (180deg=-0.346) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0694 (180deg=-0.074) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 167:sc= -0.0337 (180deg=-0.308) USER MOD Single : A 29 LYS NZ :NH3+ -136:sc=0.000232 (180deg=-0.623) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -140:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 58 ASN : amide:sc= 1.02 K(o=1,f=-1.5) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0679 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.507 USER MOD Single : A 101 GLN : amide:sc= 0.103 K(o=0.1,f=-4.6!) USER MOD Single : A 102 LYS NZ :NH3+ 152:sc= 2.79 (180deg=2.39) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 106 MET CE :methyl -170:sc=-0.00822 (180deg=-0.18) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc=-0.00679 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.141 -4.057 -0.932 1.00 0.00 N ATOM 2 CA MET A 1 11.182 -3.232 -2.156 1.00 0.00 C ATOM 3 C MET A 1 10.305 -1.994 -2.014 1.00 0.00 C ATOM 4 O MET A 1 9.470 -1.925 -1.114 1.00 0.00 O ATOM 5 CB MET A 1 10.780 -4.049 -3.387 1.00 0.00 C ATOM 6 CG MET A 1 9.333 -4.544 -3.299 1.00 0.00 C ATOM 7 SD MET A 1 8.769 -5.457 -4.757 1.00 0.00 S ATOM 8 CE MET A 1 9.870 -6.893 -4.667 1.00 0.00 C ATOM 0 H1 MET A 1 11.010 -5.056 -1.191 1.00 0.00 H new ATOM 0 H2 MET A 1 12.034 -3.948 -0.410 1.00 0.00 H new ATOM 0 H3 MET A 1 10.350 -3.749 -0.332 1.00 0.00 H new ATOM 0 HA MET A 1 12.211 -2.900 -2.296 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.901 -3.439 -4.282 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.450 -4.903 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.233 -5.184 -2.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.677 -3.687 -3.145 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.494 -7.681 -5.319 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.871 -6.604 -4.987 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.908 -7.259 -3.641 1.00 0.00 H new ATOM 20 N SER A 2 10.491 -1.017 -2.905 1.00 0.00 N ATOM 21 CA SER A 2 9.720 0.221 -2.892 1.00 0.00 C ATOM 22 C SER A 2 9.590 0.786 -4.308 1.00 0.00 C ATOM 23 O SER A 2 10.313 0.376 -5.215 1.00 0.00 O ATOM 24 CB SER A 2 10.411 1.231 -1.975 1.00 0.00 C ATOM 25 OG SER A 2 9.612 2.388 -1.834 1.00 0.00 O ATOM 0 H SER A 2 11.181 -1.065 -3.654 1.00 0.00 H new ATOM 0 HA SER A 2 8.717 0.018 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.590 0.783 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.384 1.500 -2.386 1.00 0.00 H new ATOM 0 HG SER A 2 10.063 3.027 -1.244 1.00 0.00 H new ATOM 31 N ALA A 3 8.667 1.731 -4.499 1.00 0.00 N ATOM 32 CA ALA A 3 8.419 2.359 -5.788 1.00 0.00 C ATOM 33 C ALA A 3 8.026 3.826 -5.604 1.00 0.00 C ATOM 34 O ALA A 3 7.670 4.246 -4.504 1.00 0.00 O ATOM 35 CB ALA A 3 7.315 1.591 -6.519 1.00 0.00 C ATOM 0 H ALA A 3 8.067 2.082 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 3 9.331 2.330 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.126 2.058 -7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.629 0.558 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.403 1.609 -5.922 1.00 0.00 H new ATOM 41 N LEU A 4 8.090 4.601 -6.690 1.00 0.00 N ATOM 42 CA LEU A 4 7.770 6.015 -6.665 1.00 0.00 C ATOM 43 C LEU A 4 7.000 6.410 -7.919 1.00 0.00 C ATOM 44 O LEU A 4 7.528 7.053 -8.825 1.00 0.00 O ATOM 45 CB LEU A 4 9.029 6.873 -6.450 1.00 0.00 C ATOM 46 CG LEU A 4 10.176 6.608 -7.433 1.00 0.00 C ATOM 47 CD1 LEU A 4 11.101 7.825 -7.442 1.00 0.00 C ATOM 48 CD2 LEU A 4 11.020 5.407 -7.013 1.00 0.00 C ATOM 0 H LEU A 4 8.367 4.257 -7.609 1.00 0.00 H new ATOM 0 HA LEU A 4 7.120 6.208 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.749 7.924 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.394 6.706 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 4 9.736 6.412 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.923 7.652 -8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.540 8.706 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.500 7.986 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.821 5.254 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.450 5.591 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.392 4.517 -6.974 1.00 0.00 H new ATOM 60 N THR A 5 5.729 6.018 -7.971 1.00 0.00 N ATOM 61 CA THR A 5 4.828 6.386 -9.053 1.00 0.00 C ATOM 62 C THR A 5 4.349 7.820 -8.898 1.00 0.00 C ATOM 63 O THR A 5 3.639 8.313 -9.769 1.00 0.00 O ATOM 64 CB THR A 5 3.617 5.449 -9.073 1.00 0.00 C ATOM 65 OG1 THR A 5 3.275 5.050 -7.764 1.00 0.00 O ATOM 66 CG2 THR A 5 3.920 4.222 -9.926 1.00 0.00 C ATOM 0 H THR A 5 5.295 5.432 -7.257 1.00 0.00 H new ATOM 0 HA THR A 5 5.377 6.297 -9.991 1.00 0.00 H new ATOM 0 HB THR A 5 2.773 5.987 -9.504 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.498 4.453 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.053 3.561 -9.934 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.148 4.535 -10.945 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.776 3.692 -9.509 1.00 0.00 H new ATOM 74 N GLN A 6 4.721 8.493 -7.807 1.00 0.00 N ATOM 75 CA GLN A 6 4.232 9.831 -7.532 1.00 0.00 C ATOM 76 C GLN A 6 5.354 10.838 -7.342 1.00 0.00 C ATOM 77 O GLN A 6 6.141 10.733 -6.401 1.00 0.00 O ATOM 78 CB GLN A 6 3.328 9.754 -6.306 1.00 0.00 C ATOM 79 CG GLN A 6 2.143 8.857 -6.669 1.00 0.00 C ATOM 80 CD GLN A 6 1.109 8.724 -5.570 1.00 0.00 C ATOM 81 OE1 GLN A 6 1.151 9.410 -4.550 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.163 7.818 -5.796 1.00 0.00 N ATOM 0 H GLN A 6 5.361 8.126 -7.103 1.00 0.00 H new ATOM 0 HA GLN A 6 3.670 10.192 -8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.871 9.347 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.984 10.748 -6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.660 9.255 -7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.516 7.865 -6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.173 7.274 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.573 7.666 -5.106 1.00 0.00 H new ATOM 91 N ILE A 7 5.409 11.812 -8.254 1.00 0.00 N ATOM 92 CA ILE A 7 6.479 12.798 -8.319 1.00 0.00 C ATOM 93 C ILE A 7 5.908 14.212 -8.208 1.00 0.00 C ATOM 94 O ILE A 7 4.939 14.543 -8.891 1.00 0.00 O ATOM 95 CB ILE A 7 7.235 12.644 -9.647 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.562 11.182 -10.002 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.521 13.473 -9.602 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.386 10.468 -8.933 1.00 0.00 C ATOM 0 H ILE A 7 4.699 11.935 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 7 7.164 12.634 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 7 6.572 13.008 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.631 10.637 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.106 11.158 -10.946 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.058 13.364 -10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.272 14.523 -9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.151 13.124 -8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.580 9.443 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.333 10.990 -8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.834 10.461 -7.993 1.00 0.00 H new ATOM 110 N LEU A 8 6.509 15.046 -7.353 1.00 0.00 N ATOM 111 CA LEU A 8 6.147 16.453 -7.240 1.00 0.00 C ATOM 112 C LEU A 8 7.007 17.269 -8.212 1.00 0.00 C ATOM 113 O LEU A 8 8.194 16.987 -8.377 1.00 0.00 O ATOM 114 CB LEU A 8 6.337 16.915 -5.789 1.00 0.00 C ATOM 115 CG LEU A 8 5.353 18.000 -5.327 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.785 18.502 -3.953 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.276 19.214 -6.246 1.00 0.00 C ATOM 0 H LEU A 8 7.258 14.760 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 8 5.100 16.601 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.239 16.051 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.353 17.292 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 8 4.370 17.529 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.094 19.273 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.780 17.673 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.790 18.918 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.558 19.929 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.258 19.683 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.957 18.899 -7.239 1.00 0.00 H new ATOM 129 N ILE A 9 6.413 18.279 -8.848 1.00 0.00 N ATOM 130 CA ILE A 9 7.087 19.143 -9.806 1.00 0.00 C ATOM 131 C ILE A 9 7.354 20.503 -9.158 1.00 0.00 C ATOM 132 O ILE A 9 6.418 21.165 -8.711 1.00 0.00 O ATOM 133 CB ILE A 9 6.193 19.275 -11.048 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.004 17.906 -11.713 1.00 0.00 C ATOM 135 CG2 ILE A 9 6.784 20.261 -12.056 1.00 0.00 C ATOM 136 CD1 ILE A 9 4.800 17.919 -12.656 1.00 0.00 C ATOM 0 H ILE A 9 5.432 18.520 -8.706 1.00 0.00 H new ATOM 0 HA ILE A 9 8.047 18.723 -10.107 1.00 0.00 H new ATOM 0 HB ILE A 9 5.225 19.657 -10.723 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.903 17.640 -12.269 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.864 17.142 -10.948 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.128 20.332 -12.923 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.879 21.243 -11.592 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.767 19.912 -12.372 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.687 16.937 -13.115 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.899 18.162 -12.093 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.955 18.667 -13.433 1.00 0.00 H new ATOM 148 N VAL A 10 8.621 20.920 -9.110 1.00 0.00 N ATOM 149 CA VAL A 10 9.008 22.200 -8.527 1.00 0.00 C ATOM 150 C VAL A 10 9.949 22.924 -9.480 1.00 0.00 C ATOM 151 O VAL A 10 11.072 22.471 -9.701 1.00 0.00 O ATOM 152 CB VAL A 10 9.710 21.979 -7.180 1.00 0.00 C ATOM 153 CG1 VAL A 10 9.925 23.323 -6.483 1.00 0.00 C ATOM 154 CG2 VAL A 10 8.916 21.056 -6.255 1.00 0.00 C ATOM 0 H VAL A 10 9.405 20.378 -9.475 1.00 0.00 H new ATOM 0 HA VAL A 10 8.114 22.802 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 10 10.666 21.500 -7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.424 23.162 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.544 23.964 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.961 23.803 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.455 20.931 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.937 21.493 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.789 20.084 -6.732 1.00 0.00 H new ATOM 164 N GLU A 11 9.506 24.051 -10.045 1.00 0.00 N ATOM 165 CA GLU A 11 10.312 24.793 -11.009 1.00 0.00 C ATOM 166 C GLU A 11 10.108 26.300 -10.900 1.00 0.00 C ATOM 167 O GLU A 11 9.139 26.772 -10.305 1.00 0.00 O ATOM 168 CB GLU A 11 9.991 24.341 -12.435 1.00 0.00 C ATOM 169 CG GLU A 11 10.469 22.910 -12.684 1.00 0.00 C ATOM 170 CD GLU A 11 10.432 22.596 -14.175 1.00 0.00 C ATOM 171 OE1 GLU A 11 9.494 21.881 -14.590 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.350 23.075 -14.877 1.00 0.00 O ATOM 0 H GLU A 11 8.595 24.466 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 11 11.355 24.578 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.916 24.403 -12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.466 25.015 -13.148 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.483 22.786 -12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.837 22.208 -12.141 1.00 0.00 H new ATOM 179 N ASP A 12 11.043 27.049 -11.487 1.00 0.00 N ATOM 180 CA ASP A 12 11.066 28.503 -11.487 1.00 0.00 C ATOM 181 C ASP A 12 10.388 29.091 -12.727 1.00 0.00 C ATOM 182 O ASP A 12 10.368 30.309 -12.896 1.00 0.00 O ATOM 183 CB ASP A 12 12.520 28.977 -11.388 1.00 0.00 C ATOM 184 CG ASP A 12 13.322 28.643 -12.646 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.120 27.536 -13.198 1.00 0.00 O ATOM 186 OD2 ASP A 12 14.137 29.505 -13.047 1.00 0.00 O ATOM 0 H ASP A 12 11.830 26.641 -11.991 1.00 0.00 H new ATOM 0 HA ASP A 12 10.500 28.857 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.539 30.054 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.994 28.513 -10.523 1.00 0.00 H new ATOM 191 N GLU A 13 9.834 28.241 -13.598 1.00 0.00 N ATOM 192 CA GLU A 13 9.156 28.677 -14.810 1.00 0.00 C ATOM 193 C GLU A 13 7.875 27.871 -15.017 1.00 0.00 C ATOM 194 O GLU A 13 7.892 26.648 -14.883 1.00 0.00 O ATOM 195 CB GLU A 13 10.072 28.511 -16.022 1.00 0.00 C ATOM 196 CG GLU A 13 11.298 29.425 -15.935 1.00 0.00 C ATOM 197 CD GLU A 13 12.180 29.267 -17.171 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.201 30.214 -17.992 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.833 28.207 -17.287 1.00 0.00 O ATOM 0 H GLU A 13 9.847 27.228 -13.476 1.00 0.00 H new ATOM 0 HA GLU A 13 8.901 29.731 -14.702 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.396 27.473 -16.093 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.515 28.734 -16.932 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.978 30.463 -15.841 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.872 29.187 -15.040 1.00 0.00 H new ATOM 206 N PRO A 14 6.758 28.539 -15.344 1.00 0.00 N ATOM 207 CA PRO A 14 5.471 27.896 -15.535 1.00 0.00 C ATOM 208 C PRO A 14 5.380 27.194 -16.890 1.00 0.00 C ATOM 209 O PRO A 14 4.505 26.352 -17.088 1.00 0.00 O ATOM 210 CB PRO A 14 4.460 29.037 -15.453 1.00 0.00 C ATOM 211 CG PRO A 14 5.234 30.216 -16.039 1.00 0.00 C ATOM 212 CD PRO A 14 6.652 29.975 -15.526 1.00 0.00 C ATOM 0 HA PRO A 14 5.296 27.119 -14.790 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.558 28.820 -16.025 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.148 29.228 -14.426 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.194 30.226 -17.128 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.837 31.172 -15.697 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.394 30.336 -16.238 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.826 30.504 -14.589 1.00 0.00 H new ATOM 220 N LEU A 15 6.275 27.528 -17.828 1.00 0.00 N ATOM 221 CA LEU A 15 6.230 26.962 -19.170 1.00 0.00 C ATOM 222 C LEU A 15 6.820 25.556 -19.174 1.00 0.00 C ATOM 223 O LEU A 15 6.275 24.660 -19.818 1.00 0.00 O ATOM 224 CB LEU A 15 6.991 27.876 -20.137 1.00 0.00 C ATOM 225 CG LEU A 15 6.411 29.294 -20.190 1.00 0.00 C ATOM 226 CD1 LEU A 15 7.223 30.130 -21.179 1.00 0.00 C ATOM 227 CD2 LEU A 15 4.954 29.283 -20.642 1.00 0.00 C ATOM 0 H LEU A 15 7.037 28.188 -17.676 1.00 0.00 H new ATOM 0 HA LEU A 15 5.192 26.891 -19.496 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.037 27.927 -19.835 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.968 27.441 -21.136 1.00 0.00 H new ATOM 0 HG LEU A 15 6.461 29.719 -19.188 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.816 31.140 -21.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.262 30.171 -20.853 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.171 29.676 -22.168 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.574 30.304 -20.669 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.885 28.844 -21.637 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.361 28.693 -19.943 1.00 0.00 H new ATOM 239 N ILE A 16 7.929 25.351 -18.458 1.00 0.00 N ATOM 240 CA ILE A 16 8.547 24.033 -18.388 1.00 0.00 C ATOM 241 C ILE A 16 7.764 23.167 -17.411 1.00 0.00 C ATOM 242 O ILE A 16 7.709 21.950 -17.575 1.00 0.00 O ATOM 243 CB ILE A 16 10.020 24.160 -17.979 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.780 25.134 -18.891 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.692 22.781 -18.013 1.00 0.00 C ATOM 246 CD1 ILE A 16 10.731 24.738 -20.370 1.00 0.00 C ATOM 0 H ILE A 16 8.410 26.076 -17.925 1.00 0.00 H new ATOM 0 HA ILE A 16 8.522 23.557 -19.368 1.00 0.00 H new ATOM 0 HB ILE A 16 10.051 24.559 -16.965 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.360 26.133 -18.775 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.820 25.186 -18.570 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.738 22.879 -17.722 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.183 22.111 -17.320 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.633 22.372 -19.022 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.287 25.467 -20.960 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.177 23.752 -20.498 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.694 24.714 -20.706 1.00 0.00 H new ATOM 258 N ALA A 17 7.150 23.782 -16.396 1.00 0.00 N ATOM 259 CA ALA A 17 6.348 23.055 -15.429 1.00 0.00 C ATOM 260 C ALA A 17 5.091 22.496 -16.092 1.00 0.00 C ATOM 261 O ALA A 17 4.577 21.467 -15.666 1.00 0.00 O ATOM 262 CB ALA A 17 5.985 23.993 -14.277 1.00 0.00 C ATOM 0 H ALA A 17 7.198 24.787 -16.229 1.00 0.00 H new ATOM 0 HA ALA A 17 6.920 22.213 -15.038 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.382 23.455 -13.546 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.897 24.354 -13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.417 24.840 -14.662 1.00 0.00 H new ATOM 268 N MET A 18 4.593 23.169 -17.138 1.00 0.00 N ATOM 269 CA MET A 18 3.432 22.693 -17.870 1.00 0.00 C ATOM 270 C MET A 18 3.828 21.518 -18.761 1.00 0.00 C ATOM 271 O MET A 18 3.033 20.600 -18.963 1.00 0.00 O ATOM 272 CB MET A 18 2.847 23.849 -18.685 1.00 0.00 C ATOM 273 CG MET A 18 1.586 23.400 -19.421 1.00 0.00 C ATOM 274 SD MET A 18 0.806 24.724 -20.378 1.00 0.00 S ATOM 275 CE MET A 18 -0.595 23.803 -21.061 1.00 0.00 C ATOM 0 H MET A 18 4.982 24.044 -17.489 1.00 0.00 H new ATOM 0 HA MET A 18 2.668 22.339 -17.178 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.612 24.685 -18.026 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.586 24.207 -19.402 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.838 22.577 -20.090 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.869 23.014 -18.697 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.196 24.464 -21.685 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.226 22.972 -21.662 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.208 23.417 -20.247 1.00 0.00 H new ATOM 285 N MET A 19 5.055 21.535 -19.291 1.00 0.00 N ATOM 286 CA MET A 19 5.562 20.427 -20.084 1.00 0.00 C ATOM 287 C MET A 19 5.891 19.239 -19.185 1.00 0.00 C ATOM 288 O MET A 19 5.898 18.099 -19.647 1.00 0.00 O ATOM 289 CB MET A 19 6.810 20.872 -20.848 1.00 0.00 C ATOM 290 CG MET A 19 6.457 21.930 -21.894 1.00 0.00 C ATOM 291 SD MET A 19 7.878 22.584 -22.809 1.00 0.00 S ATOM 292 CE MET A 19 8.424 21.082 -23.660 1.00 0.00 C ATOM 0 H MET A 19 5.711 22.308 -19.181 1.00 0.00 H new ATOM 0 HA MET A 19 4.796 20.119 -20.796 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.545 21.274 -20.151 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.270 20.012 -21.335 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.750 21.500 -22.604 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.948 22.757 -21.399 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.139 21.345 -24.439 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.898 20.410 -22.944 1.00 0.00 H new ATOM 0 HE3 MET A 19 7.564 20.585 -24.110 1.00 0.00 H new ATOM 302 N LEU A 20 6.163 19.492 -17.901 1.00 0.00 N ATOM 303 CA LEU A 20 6.464 18.431 -16.955 1.00 0.00 C ATOM 304 C LEU A 20 5.214 17.613 -16.667 1.00 0.00 C ATOM 305 O LEU A 20 5.289 16.392 -16.554 1.00 0.00 O ATOM 306 CB LEU A 20 7.019 19.041 -15.661 1.00 0.00 C ATOM 307 CG LEU A 20 8.476 18.655 -15.396 1.00 0.00 C ATOM 308 CD1 LEU A 20 8.594 17.149 -15.175 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.368 19.117 -16.547 1.00 0.00 C ATOM 0 H LEU A 20 6.179 20.429 -17.499 1.00 0.00 H new ATOM 0 HA LEU A 20 7.214 17.767 -17.384 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.940 20.127 -15.715 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.405 18.718 -14.821 1.00 0.00 H new ATOM 0 HG LEU A 20 8.814 19.156 -14.489 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.636 16.889 -14.988 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.988 16.859 -14.317 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.243 16.622 -16.062 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.401 18.835 -16.343 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.039 18.646 -17.474 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.301 20.200 -16.647 1.00 0.00 H new ATOM 321 N GLU A 21 4.060 18.275 -16.545 1.00 0.00 N ATOM 322 CA GLU A 21 2.814 17.561 -16.309 1.00 0.00 C ATOM 323 C GLU A 21 2.408 16.786 -17.560 1.00 0.00 C ATOM 324 O GLU A 21 1.763 15.745 -17.461 1.00 0.00 O ATOM 325 CB GLU A 21 1.711 18.549 -15.920 1.00 0.00 C ATOM 326 CG GLU A 21 2.050 19.276 -14.619 1.00 0.00 C ATOM 327 CD GLU A 21 0.879 20.150 -14.175 1.00 0.00 C ATOM 328 OE1 GLU A 21 -0.008 19.618 -13.468 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.877 21.346 -14.547 1.00 0.00 O ATOM 0 H GLU A 21 3.968 19.289 -16.605 1.00 0.00 H new ATOM 0 HA GLU A 21 2.960 16.855 -15.491 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.573 19.276 -16.720 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.767 18.017 -15.806 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.286 18.550 -13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.938 19.892 -14.760 1.00 0.00 H new ATOM 336 N ASP A 22 2.789 17.288 -18.740 1.00 0.00 N ATOM 337 CA ASP A 22 2.440 16.637 -19.993 1.00 0.00 C ATOM 338 C ASP A 22 3.263 15.368 -20.201 1.00 0.00 C ATOM 339 O ASP A 22 2.737 14.375 -20.696 1.00 0.00 O ATOM 340 CB ASP A 22 2.652 17.623 -21.141 1.00 0.00 C ATOM 341 CG ASP A 22 2.204 17.026 -22.472 1.00 0.00 C ATOM 342 OD1 ASP A 22 0.973 16.911 -22.670 1.00 0.00 O ATOM 343 OD2 ASP A 22 3.095 16.691 -23.284 1.00 0.00 O ATOM 0 H ASP A 22 3.338 18.141 -18.846 1.00 0.00 H new ATOM 0 HA ASP A 22 1.392 16.338 -19.963 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.095 18.539 -20.945 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.705 17.897 -21.199 1.00 0.00 H new ATOM 348 N PHE A 23 4.549 15.377 -19.829 1.00 0.00 N ATOM 349 CA PHE A 23 5.384 14.200 -19.996 1.00 0.00 C ATOM 350 C PHE A 23 5.026 13.108 -18.988 1.00 0.00 C ATOM 351 O PHE A 23 5.299 11.937 -19.244 1.00 0.00 O ATOM 352 CB PHE A 23 6.856 14.593 -19.891 1.00 0.00 C ATOM 353 CG PHE A 23 7.467 14.928 -21.232 1.00 0.00 C ATOM 354 CD1 PHE A 23 7.861 16.239 -21.531 1.00 0.00 C ATOM 355 CD2 PHE A 23 7.644 13.911 -22.179 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.430 16.534 -22.781 1.00 0.00 C ATOM 357 CE2 PHE A 23 8.220 14.204 -23.422 1.00 0.00 C ATOM 358 CZ PHE A 23 8.611 15.513 -23.722 1.00 0.00 C ATOM 0 H PHE A 23 5.022 16.181 -19.416 1.00 0.00 H new ATOM 0 HA PHE A 23 5.202 13.785 -20.987 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.952 15.453 -19.228 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.415 13.775 -19.436 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.727 17.023 -20.800 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.336 12.901 -21.951 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.727 17.546 -23.016 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.362 13.418 -24.149 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.053 15.737 -24.681 1.00 0.00 H new ATOM 368 N LEU A 24 4.420 13.459 -17.850 1.00 0.00 N ATOM 369 CA LEU A 24 3.990 12.447 -16.900 1.00 0.00 C ATOM 370 C LEU A 24 2.711 11.764 -17.375 1.00 0.00 C ATOM 371 O LEU A 24 2.421 10.649 -16.943 1.00 0.00 O ATOM 372 CB LEU A 24 3.812 13.064 -15.511 1.00 0.00 C ATOM 373 CG LEU A 24 5.139 13.526 -14.897 1.00 0.00 C ATOM 374 CD1 LEU A 24 4.853 14.151 -13.534 1.00 0.00 C ATOM 375 CD2 LEU A 24 6.120 12.372 -14.688 1.00 0.00 C ATOM 0 H LEU A 24 4.222 14.421 -17.573 1.00 0.00 H new ATOM 0 HA LEU A 24 4.763 11.682 -16.833 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.132 13.913 -15.579 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.345 12.334 -14.850 1.00 0.00 H new ATOM 0 HG LEU A 24 5.591 14.237 -15.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.788 14.485 -13.084 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.185 15.003 -13.658 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.382 13.412 -12.886 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.043 12.754 -14.251 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.678 11.636 -14.017 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.339 11.903 -15.647 1.00 0.00 H new ATOM 387 N GLU A 25 1.936 12.405 -18.257 1.00 0.00 N ATOM 388 CA GLU A 25 0.738 11.788 -18.811 1.00 0.00 C ATOM 389 C GLU A 25 1.068 10.914 -20.021 1.00 0.00 C ATOM 390 O GLU A 25 0.286 10.028 -20.365 1.00 0.00 O ATOM 391 CB GLU A 25 -0.285 12.862 -19.185 1.00 0.00 C ATOM 392 CG GLU A 25 -0.854 13.528 -17.932 1.00 0.00 C ATOM 393 CD GLU A 25 -1.929 14.547 -18.301 1.00 0.00 C ATOM 394 OE1 GLU A 25 -1.557 15.677 -18.692 1.00 0.00 O ATOM 395 OE2 GLU A 25 -3.124 14.188 -18.190 1.00 0.00 O ATOM 0 H GLU A 25 2.121 13.348 -18.598 1.00 0.00 H new ATOM 0 HA GLU A 25 0.307 11.142 -18.046 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.185 13.613 -19.820 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.093 12.415 -19.764 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.276 12.770 -17.272 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.053 14.021 -17.381 1.00 0.00 H new ATOM 402 N VAL A 26 2.214 11.149 -20.672 1.00 0.00 N ATOM 403 CA VAL A 26 2.641 10.340 -21.811 1.00 0.00 C ATOM 404 C VAL A 26 3.384 9.090 -21.330 1.00 0.00 C ATOM 405 O VAL A 26 3.449 8.097 -22.052 1.00 0.00 O ATOM 406 CB VAL A 26 3.506 11.199 -22.747 1.00 0.00 C ATOM 407 CG1 VAL A 26 4.092 10.377 -23.897 1.00 0.00 C ATOM 408 CG2 VAL A 26 2.650 12.307 -23.361 1.00 0.00 C ATOM 0 H VAL A 26 2.862 11.897 -20.425 1.00 0.00 H new ATOM 0 HA VAL A 26 1.770 9.998 -22.370 1.00 0.00 H new ATOM 0 HB VAL A 26 4.320 11.608 -22.148 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.696 11.022 -24.534 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.715 9.579 -23.493 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.282 9.943 -24.484 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.264 12.916 -24.025 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.833 11.863 -23.929 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.242 12.934 -22.568 1.00 0.00 H new ATOM 418 N LEU A 27 3.943 9.133 -20.114 1.00 0.00 N ATOM 419 CA LEU A 27 4.666 8.011 -19.528 1.00 0.00 C ATOM 420 C LEU A 27 3.789 7.246 -18.531 1.00 0.00 C ATOM 421 O LEU A 27 4.296 6.435 -17.759 1.00 0.00 O ATOM 422 CB LEU A 27 5.968 8.510 -18.890 1.00 0.00 C ATOM 423 CG LEU A 27 7.148 8.640 -19.866 1.00 0.00 C ATOM 424 CD1 LEU A 27 7.609 7.262 -20.338 1.00 0.00 C ATOM 425 CD2 LEU A 27 6.824 9.482 -21.096 1.00 0.00 C ATOM 0 H LEU A 27 3.903 9.954 -19.510 1.00 0.00 H new ATOM 0 HA LEU A 27 4.926 7.304 -20.316 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.784 9.481 -18.431 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.250 7.827 -18.088 1.00 0.00 H new ATOM 0 HG LEU A 27 7.936 9.145 -19.308 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.445 7.375 -21.028 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.925 6.670 -19.479 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.786 6.757 -20.844 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.700 9.533 -21.743 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.997 9.027 -21.641 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.544 10.488 -20.785 1.00 0.00 H new ATOM 437 N ASP A 28 2.476 7.500 -18.545 1.00 0.00 N ATOM 438 CA ASP A 28 1.511 6.831 -17.677 1.00 0.00 C ATOM 439 C ASP A 28 1.899 6.913 -16.196 1.00 0.00 C ATOM 440 O ASP A 28 1.668 5.979 -15.427 1.00 0.00 O ATOM 441 CB ASP A 28 1.270 5.399 -18.169 1.00 0.00 C ATOM 442 CG ASP A 28 0.068 4.754 -17.479 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.970 5.442 -17.361 1.00 0.00 O ATOM 444 OD2 ASP A 28 0.196 3.574 -17.073 1.00 0.00 O ATOM 0 H ASP A 28 2.052 8.186 -19.169 1.00 0.00 H new ATOM 0 HA ASP A 28 0.561 7.361 -17.741 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.108 5.408 -19.247 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.160 4.797 -17.985 1.00 0.00 H new ATOM 449 N LYS A 29 2.493 8.043 -15.799 1.00 0.00 N ATOM 450 CA LYS A 29 2.917 8.298 -14.428 1.00 0.00 C ATOM 451 C LYS A 29 1.747 8.867 -13.620 1.00 0.00 C ATOM 452 O LYS A 29 0.761 9.320 -14.199 1.00 0.00 O ATOM 453 CB LYS A 29 4.101 9.270 -14.466 1.00 0.00 C ATOM 454 CG LYS A 29 5.351 8.711 -13.784 1.00 0.00 C ATOM 455 CD LYS A 29 5.133 8.548 -12.282 1.00 0.00 C ATOM 456 CE LYS A 29 6.459 8.296 -11.568 1.00 0.00 C ATOM 457 NZ LYS A 29 7.075 7.023 -11.988 1.00 0.00 N ATOM 0 H LYS A 29 2.694 8.815 -16.435 1.00 0.00 H new ATOM 0 HA LYS A 29 3.231 7.374 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.335 9.509 -15.503 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.815 10.203 -13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.608 7.747 -14.224 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.195 9.378 -13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.662 9.444 -11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.451 7.718 -12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.145 9.117 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.295 8.282 -10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.431 6.517 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.365 6.436 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.864 7.217 -12.637 1.00 0.00 H new ATOM 471 N THR A 30 1.849 8.853 -12.284 1.00 0.00 N ATOM 472 CA THR A 30 0.805 9.400 -11.419 1.00 0.00 C ATOM 473 C THR A 30 1.293 10.679 -10.732 1.00 0.00 C ATOM 474 O THR A 30 1.849 10.610 -9.641 1.00 0.00 O ATOM 475 CB THR A 30 0.368 8.342 -10.395 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.027 7.164 -11.064 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.827 8.849 -9.590 1.00 0.00 C ATOM 0 H THR A 30 2.648 8.467 -11.781 1.00 0.00 H new ATOM 0 HA THR A 30 -0.061 9.664 -12.025 1.00 0.00 H new ATOM 0 HB THR A 30 1.209 8.141 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.303 6.492 -10.407 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.127 8.090 -8.868 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.550 9.762 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.658 9.057 -10.264 1.00 0.00 H new ATOM 485 N PRO A 31 1.100 11.856 -11.349 1.00 0.00 N ATOM 486 CA PRO A 31 1.514 13.124 -10.774 1.00 0.00 C ATOM 487 C PRO A 31 0.689 13.440 -9.527 1.00 0.00 C ATOM 488 O PRO A 31 -0.411 12.907 -9.358 1.00 0.00 O ATOM 489 CB PRO A 31 1.294 14.160 -11.878 1.00 0.00 C ATOM 490 CG PRO A 31 0.162 13.554 -12.703 1.00 0.00 C ATOM 491 CD PRO A 31 0.460 12.058 -12.635 1.00 0.00 C ATOM 0 HA PRO A 31 2.555 13.112 -10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.019 15.132 -11.469 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.193 14.309 -12.476 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.816 13.791 -12.284 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.167 13.922 -13.729 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.454 11.470 -12.717 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.112 11.749 -13.452 1.00 0.00 H new ATOM 499 N VAL A 32 1.209 14.309 -8.655 1.00 0.00 N ATOM 500 CA VAL A 32 0.544 14.648 -7.399 1.00 0.00 C ATOM 501 C VAL A 32 0.435 16.152 -7.174 1.00 0.00 C ATOM 502 O VAL A 32 -0.270 16.579 -6.259 1.00 0.00 O ATOM 503 CB VAL A 32 1.268 13.989 -6.221 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.286 12.474 -6.391 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.714 14.472 -6.091 1.00 0.00 C ATOM 0 H VAL A 32 2.095 14.792 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.473 14.263 -7.467 1.00 0.00 H new ATOM 0 HB VAL A 32 0.720 14.269 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.804 12.019 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.263 12.100 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.804 12.218 -7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.188 13.978 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.261 14.232 -7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.725 15.551 -5.935 1.00 0.00 H new ATOM 515 N GLY A 33 1.119 16.963 -7.986 1.00 0.00 N ATOM 516 CA GLY A 33 1.028 18.408 -7.870 1.00 0.00 C ATOM 517 C GLY A 33 2.148 19.114 -8.620 1.00 0.00 C ATOM 518 O GLY A 33 3.104 18.480 -9.068 1.00 0.00 O ATOM 0 H GLY A 33 1.739 16.637 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.066 18.742 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.063 18.690 -6.818 1.00 0.00 H new ATOM 522 N THR A 34 2.015 20.433 -8.743 1.00 0.00 N ATOM 523 CA THR A 34 3.015 21.303 -9.344 1.00 0.00 C ATOM 524 C THR A 34 3.050 22.604 -8.551 1.00 0.00 C ATOM 525 O THR A 34 1.998 23.140 -8.201 1.00 0.00 O ATOM 526 CB THR A 34 2.670 21.578 -10.808 1.00 0.00 C ATOM 527 OG1 THR A 34 2.651 20.366 -11.530 1.00 0.00 O ATOM 528 CG2 THR A 34 3.695 22.508 -11.453 1.00 0.00 C ATOM 0 H THR A 34 1.188 20.935 -8.419 1.00 0.00 H new ATOM 0 HA THR A 34 3.994 20.824 -9.317 1.00 0.00 H new ATOM 0 HB THR A 34 1.690 22.055 -10.834 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.056 20.504 -12.412 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.422 22.684 -12.493 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.714 23.457 -10.917 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.682 22.048 -11.410 1.00 0.00 H new ATOM 536 N VAL A 35 4.250 23.112 -8.264 1.00 0.00 N ATOM 537 CA VAL A 35 4.414 24.328 -7.480 1.00 0.00 C ATOM 538 C VAL A 35 5.468 25.242 -8.098 1.00 0.00 C ATOM 539 O VAL A 35 6.408 24.783 -8.748 1.00 0.00 O ATOM 540 CB VAL A 35 4.747 23.982 -6.022 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.569 23.268 -5.356 1.00 0.00 C ATOM 542 CG2 VAL A 35 5.966 23.070 -5.924 1.00 0.00 C ATOM 0 H VAL A 35 5.128 22.692 -8.568 1.00 0.00 H new ATOM 0 HA VAL A 35 3.471 24.875 -7.488 1.00 0.00 H new ATOM 0 HB VAL A 35 4.958 24.924 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.824 23.031 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.693 23.917 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.349 22.347 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.171 22.847 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.770 22.142 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.830 23.568 -6.364 1.00 0.00 H new ATOM 552 N ASP A 36 5.293 26.549 -7.884 1.00 0.00 N ATOM 553 CA ASP A 36 6.142 27.588 -8.453 1.00 0.00 C ATOM 554 C ASP A 36 7.284 27.965 -7.505 1.00 0.00 C ATOM 555 O ASP A 36 8.140 28.778 -7.847 1.00 0.00 O ATOM 556 CB ASP A 36 5.251 28.787 -8.781 1.00 0.00 C ATOM 557 CG ASP A 36 6.019 29.919 -9.455 1.00 0.00 C ATOM 558 OD1 ASP A 36 6.477 29.712 -10.600 1.00 0.00 O ATOM 559 OD2 ASP A 36 6.143 30.989 -8.819 1.00 0.00 O ATOM 0 H ASP A 36 4.542 26.917 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 36 6.622 27.225 -9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.439 28.465 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.795 29.158 -7.863 1.00 0.00 H new ATOM 564 N THR A 37 7.300 27.374 -6.305 1.00 0.00 N ATOM 565 CA THR A 37 8.332 27.617 -5.306 1.00 0.00 C ATOM 566 C THR A 37 8.487 26.385 -4.420 1.00 0.00 C ATOM 567 O THR A 37 7.574 25.568 -4.329 1.00 0.00 O ATOM 568 CB THR A 37 7.979 28.854 -4.472 1.00 0.00 C ATOM 569 OG1 THR A 37 8.975 29.063 -3.497 1.00 0.00 O ATOM 570 CG2 THR A 37 6.632 28.694 -3.766 1.00 0.00 C ATOM 0 H THR A 37 6.588 26.709 -6.003 1.00 0.00 H new ATOM 0 HA THR A 37 9.282 27.807 -5.805 1.00 0.00 H new ATOM 0 HB THR A 37 7.916 29.704 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.751 29.855 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.417 29.591 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.848 28.545 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.670 27.831 -3.101 1.00 0.00 H new ATOM 578 N VAL A 38 9.644 26.249 -3.766 1.00 0.00 N ATOM 579 CA VAL A 38 9.925 25.090 -2.931 1.00 0.00 C ATOM 580 C VAL A 38 9.087 25.120 -1.652 1.00 0.00 C ATOM 581 O VAL A 38 8.846 24.078 -1.045 1.00 0.00 O ATOM 582 CB VAL A 38 11.427 25.030 -2.633 1.00 0.00 C ATOM 583 CG1 VAL A 38 11.874 26.216 -1.773 1.00 0.00 C ATOM 584 CG2 VAL A 38 11.776 23.725 -1.922 1.00 0.00 C ATOM 0 H VAL A 38 10.400 26.933 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 38 9.645 24.182 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 38 11.953 25.077 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.944 26.143 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.663 27.147 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.333 26.204 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.846 23.697 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.225 23.663 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.506 22.881 -2.557 1.00 0.00 H new ATOM 594 N ALA A 39 8.627 26.303 -1.233 1.00 0.00 N ATOM 595 CA ALA A 39 7.776 26.408 -0.061 1.00 0.00 C ATOM 596 C ALA A 39 6.459 25.678 -0.309 1.00 0.00 C ATOM 597 O ALA A 39 5.806 25.218 0.627 1.00 0.00 O ATOM 598 CB ALA A 39 7.540 27.885 0.251 1.00 0.00 C ATOM 0 H ALA A 39 8.832 27.192 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 39 8.260 25.942 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.902 27.974 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.495 28.373 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.055 28.364 -0.600 1.00 0.00 H new ATOM 604 N GLY A 40 6.060 25.565 -1.581 1.00 0.00 N ATOM 605 CA GLY A 40 4.859 24.843 -1.957 1.00 0.00 C ATOM 606 C GLY A 40 5.097 23.338 -1.906 1.00 0.00 C ATOM 607 O GLY A 40 4.147 22.569 -1.780 1.00 0.00 O ATOM 0 H GLY A 40 6.564 25.973 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.043 25.110 -1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.553 25.134 -2.962 1.00 0.00 H new ATOM 611 N ALA A 41 6.356 22.899 -1.999 1.00 0.00 N ATOM 612 CA ALA A 41 6.667 21.483 -1.956 1.00 0.00 C ATOM 613 C ALA A 41 6.505 20.958 -0.533 1.00 0.00 C ATOM 614 O ALA A 41 6.094 19.818 -0.339 1.00 0.00 O ATOM 615 CB ALA A 41 8.086 21.258 -2.479 1.00 0.00 C ATOM 0 H ALA A 41 7.168 23.508 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 41 5.976 20.932 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.321 20.194 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.156 21.615 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.794 21.805 -1.856 1.00 0.00 H new ATOM 621 N LEU A 42 6.823 21.787 0.469 1.00 0.00 N ATOM 622 CA LEU A 42 6.614 21.400 1.855 1.00 0.00 C ATOM 623 C LEU A 42 5.122 21.440 2.180 1.00 0.00 C ATOM 624 O LEU A 42 4.660 20.708 3.056 1.00 0.00 O ATOM 625 CB LEU A 42 7.385 22.340 2.794 1.00 0.00 C ATOM 626 CG LEU A 42 8.907 22.134 2.837 1.00 0.00 C ATOM 627 CD1 LEU A 42 9.266 20.680 3.144 1.00 0.00 C ATOM 628 CD2 LEU A 42 9.604 22.548 1.543 1.00 0.00 C ATOM 0 H LEU A 42 7.221 22.717 0.341 1.00 0.00 H new ATOM 0 HA LEU A 42 6.985 20.386 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.184 23.369 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.991 22.219 3.803 1.00 0.00 H new ATOM 0 HG LEU A 42 9.262 22.782 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.350 20.570 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.852 20.400 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.852 20.032 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.677 22.378 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.214 21.957 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.419 23.605 1.352 1.00 0.00 H new ATOM 640 N ALA A 43 4.360 22.287 1.481 1.00 0.00 N ATOM 641 CA ALA A 43 2.927 22.396 1.700 1.00 0.00 C ATOM 642 C ALA A 43 2.172 21.194 1.122 1.00 0.00 C ATOM 643 O ALA A 43 1.074 20.885 1.582 1.00 0.00 O ATOM 644 CB ALA A 43 2.437 23.700 1.077 1.00 0.00 C ATOM 0 H ALA A 43 4.721 22.907 0.756 1.00 0.00 H new ATOM 0 HA ALA A 43 2.730 22.401 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.363 23.797 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.949 24.541 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.649 23.695 0.008 1.00 0.00 H new ATOM 650 N ARG A 44 2.742 20.513 0.118 1.00 0.00 N ATOM 651 CA ARG A 44 2.103 19.344 -0.480 1.00 0.00 C ATOM 652 C ARG A 44 2.461 18.066 0.279 1.00 0.00 C ATOM 653 O ARG A 44 1.690 17.110 0.250 1.00 0.00 O ATOM 654 CB ARG A 44 2.513 19.229 -1.951 1.00 0.00 C ATOM 655 CG ARG A 44 1.943 20.360 -2.813 1.00 0.00 C ATOM 656 CD ARG A 44 0.417 20.311 -2.891 1.00 0.00 C ATOM 657 NE ARG A 44 -0.055 19.065 -3.508 1.00 0.00 N ATOM 658 CZ ARG A 44 -1.067 18.328 -3.042 1.00 0.00 C ATOM 659 NH1 ARG A 44 -1.731 18.697 -1.952 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.419 17.213 -3.675 1.00 0.00 N ATOM 0 H ARG A 44 3.643 20.755 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 44 1.022 19.471 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.601 19.236 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.174 18.271 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.254 21.320 -2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.359 20.294 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.002 20.402 -1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.054 21.162 -3.467 1.00 0.00 H new ATOM 0 HE ARG A 44 0.422 18.740 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.470 19.552 -1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.502 18.125 -1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.917 16.923 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.191 16.648 -3.322 1.00 0.00 H new ATOM 674 N VAL A 45 3.614 18.036 0.954 1.00 0.00 N ATOM 675 CA VAL A 45 4.011 16.870 1.739 1.00 0.00 C ATOM 676 C VAL A 45 3.248 16.843 3.063 1.00 0.00 C ATOM 677 O VAL A 45 3.039 15.775 3.635 1.00 0.00 O ATOM 678 CB VAL A 45 5.528 16.904 1.968 1.00 0.00 C ATOM 679 CG1 VAL A 45 5.988 15.818 2.944 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.253 16.671 0.643 1.00 0.00 C ATOM 0 H VAL A 45 4.285 18.804 0.971 1.00 0.00 H new ATOM 0 HA VAL A 45 3.764 15.958 1.196 1.00 0.00 H new ATOM 0 HB VAL A 45 5.764 17.882 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.068 15.881 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.497 15.962 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.727 14.837 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.330 16.696 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.970 15.699 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.977 17.452 -0.065 1.00 0.00 H new ATOM 690 N GLU A 46 2.825 18.012 3.550 1.00 0.00 N ATOM 691 CA GLU A 46 2.025 18.116 4.765 1.00 0.00 C ATOM 692 C GLU A 46 0.541 17.863 4.485 1.00 0.00 C ATOM 693 O GLU A 46 -0.229 17.651 5.418 1.00 0.00 O ATOM 694 CB GLU A 46 2.247 19.485 5.412 1.00 0.00 C ATOM 695 CG GLU A 46 3.666 19.563 5.984 1.00 0.00 C ATOM 696 CD GLU A 46 3.983 20.944 6.555 1.00 0.00 C ATOM 697 OE1 GLU A 46 5.188 21.292 6.563 1.00 0.00 O ATOM 698 OE2 GLU A 46 3.034 21.641 6.983 1.00 0.00 O ATOM 0 H GLU A 46 3.029 18.910 3.111 1.00 0.00 H new ATOM 0 HA GLU A 46 2.349 17.343 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.098 20.274 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.516 19.646 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.782 18.813 6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.385 19.322 5.201 1.00 0.00 H new ATOM 705 N ASP A 47 0.135 17.884 3.211 1.00 0.00 N ATOM 706 CA ASP A 47 -1.262 17.705 2.830 1.00 0.00 C ATOM 707 C ASP A 47 -1.539 16.307 2.267 1.00 0.00 C ATOM 708 O ASP A 47 -2.699 15.913 2.135 1.00 0.00 O ATOM 709 CB ASP A 47 -1.641 18.791 1.825 1.00 0.00 C ATOM 710 CG ASP A 47 -3.127 18.741 1.484 1.00 0.00 C ATOM 711 OD1 ASP A 47 -3.442 18.396 0.322 1.00 0.00 O ATOM 712 OD2 ASP A 47 -3.941 19.048 2.385 1.00 0.00 O ATOM 0 H ASP A 47 0.765 18.025 2.422 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.880 17.797 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.393 19.770 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.053 18.668 0.915 1.00 0.00 H new ATOM 717 N GLY A 48 -0.490 15.548 1.933 1.00 0.00 N ATOM 718 CA GLY A 48 -0.648 14.208 1.389 1.00 0.00 C ATOM 719 C GLY A 48 0.697 13.523 1.175 1.00 0.00 C ATOM 720 O GLY A 48 1.750 14.154 1.267 1.00 0.00 O ATOM 0 H GLY A 48 0.480 15.847 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.257 13.610 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.184 14.261 0.441 1.00 0.00 H new ATOM 724 N GLY A 49 0.659 12.219 0.888 1.00 0.00 N ATOM 725 CA GLY A 49 1.859 11.429 0.666 1.00 0.00 C ATOM 726 C GLY A 49 2.440 11.673 -0.723 1.00 0.00 C ATOM 727 O GLY A 49 1.704 11.891 -1.686 1.00 0.00 O ATOM 0 H GLY A 49 -0.207 11.687 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.604 11.677 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.626 10.371 0.783 1.00 0.00 H new ATOM 731 N ILE A 50 3.770 11.631 -0.816 1.00 0.00 N ATOM 732 CA ILE A 50 4.519 11.802 -2.055 1.00 0.00 C ATOM 733 C ILE A 50 5.714 10.852 -2.010 1.00 0.00 C ATOM 734 O ILE A 50 6.269 10.622 -0.935 1.00 0.00 O ATOM 735 CB ILE A 50 4.962 13.266 -2.205 1.00 0.00 C ATOM 736 CG1 ILE A 50 3.728 14.179 -2.230 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.787 13.442 -3.481 1.00 0.00 C ATOM 738 CD1 ILE A 50 4.075 15.642 -2.495 1.00 0.00 C ATOM 0 H ILE A 50 4.370 11.472 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 50 3.902 11.566 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 50 5.586 13.540 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.039 13.829 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.206 14.102 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.094 14.484 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.671 12.806 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.185 13.162 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.162 16.237 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.740 16.006 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.571 15.729 -3.462 1.00 0.00 H new ATOM 750 N ASP A 51 6.119 10.296 -3.155 1.00 0.00 N ATOM 751 CA ASP A 51 7.186 9.300 -3.176 1.00 0.00 C ATOM 752 C ASP A 51 8.519 9.902 -3.615 1.00 0.00 C ATOM 753 O ASP A 51 9.570 9.373 -3.262 1.00 0.00 O ATOM 754 CB ASP A 51 6.789 8.135 -4.082 1.00 0.00 C ATOM 755 CG ASP A 51 5.518 7.435 -3.601 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.687 7.096 -4.473 1.00 0.00 O ATOM 757 OD2 ASP A 51 5.384 7.242 -2.373 1.00 0.00 O ATOM 0 H ASP A 51 5.727 10.518 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 51 7.324 8.931 -2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.637 8.502 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.605 7.414 -4.122 1.00 0.00 H new ATOM 762 N ALA A 52 8.488 10.998 -4.378 1.00 0.00 N ATOM 763 CA ALA A 52 9.688 11.713 -4.785 1.00 0.00 C ATOM 764 C ALA A 52 9.315 13.086 -5.348 1.00 0.00 C ATOM 765 O ALA A 52 8.137 13.389 -5.524 1.00 0.00 O ATOM 766 CB ALA A 52 10.416 10.900 -5.855 1.00 0.00 C ATOM 0 H ALA A 52 7.624 11.411 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 52 10.337 11.851 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.317 11.430 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.690 9.926 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.762 10.763 -6.716 1.00 0.00 H new ATOM 772 N ALA A 53 10.319 13.919 -5.633 1.00 0.00 N ATOM 773 CA ALA A 53 10.093 15.229 -6.217 1.00 0.00 C ATOM 774 C ALA A 53 11.267 15.649 -7.101 1.00 0.00 C ATOM 775 O ALA A 53 12.372 15.125 -6.962 1.00 0.00 O ATOM 776 CB ALA A 53 9.882 16.243 -5.095 1.00 0.00 C ATOM 0 H ALA A 53 11.301 13.700 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 53 9.205 15.188 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.711 17.230 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.017 15.952 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.767 16.272 -4.459 1.00 0.00 H new ATOM 782 N ILE A 54 11.021 16.595 -8.012 1.00 0.00 N ATOM 783 CA ILE A 54 12.056 17.169 -8.858 1.00 0.00 C ATOM 784 C ILE A 54 12.213 18.636 -8.477 1.00 0.00 C ATOM 785 O ILE A 54 11.243 19.392 -8.511 1.00 0.00 O ATOM 786 CB ILE A 54 11.688 17.000 -10.337 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.556 15.506 -10.668 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.764 17.648 -11.216 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.138 15.276 -12.124 1.00 0.00 C ATOM 0 H ILE A 54 10.092 16.982 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 54 13.006 16.656 -8.709 1.00 0.00 H new ATOM 0 HB ILE A 54 10.734 17.490 -10.533 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.507 15.008 -10.481 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.821 15.051 -10.004 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.498 17.525 -12.266 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.835 18.710 -10.981 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.725 17.170 -11.027 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.057 14.206 -12.314 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.174 15.751 -12.305 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.886 15.707 -12.790 1.00 0.00 H new ATOM 801 N LEU A 55 13.435 19.034 -8.115 1.00 0.00 N ATOM 802 CA LEU A 55 13.720 20.373 -7.625 1.00 0.00 C ATOM 803 C LEU A 55 14.603 21.117 -8.622 1.00 0.00 C ATOM 804 O LEU A 55 15.621 20.591 -9.064 1.00 0.00 O ATOM 805 CB LEU A 55 14.429 20.285 -6.267 1.00 0.00 C ATOM 806 CG LEU A 55 13.525 20.006 -5.056 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.660 21.226 -4.741 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.612 18.797 -5.246 1.00 0.00 C ATOM 0 H LEU A 55 14.255 18.429 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 55 12.783 20.917 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.183 19.499 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.958 21.222 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 55 14.199 19.786 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.026 21.010 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.301 22.078 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.035 21.461 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.002 18.658 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.964 18.962 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.218 17.906 -5.414 1.00 0.00 H new ATOM 820 N ASP A 56 14.214 22.343 -8.974 1.00 0.00 N ATOM 821 CA ASP A 56 15.037 23.196 -9.815 1.00 0.00 C ATOM 822 C ASP A 56 16.071 23.926 -8.960 1.00 0.00 C ATOM 823 O ASP A 56 15.841 24.170 -7.775 1.00 0.00 O ATOM 824 CB ASP A 56 14.146 24.165 -10.593 1.00 0.00 C ATOM 825 CG ASP A 56 14.930 24.890 -11.677 1.00 0.00 C ATOM 826 OD1 ASP A 56 14.893 24.409 -12.832 1.00 0.00 O ATOM 827 OD2 ASP A 56 15.558 25.919 -11.346 1.00 0.00 O ATOM 0 H ASP A 56 13.331 22.764 -8.686 1.00 0.00 H new ATOM 0 HA ASP A 56 15.581 22.591 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.318 23.618 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.711 24.893 -9.908 1.00 0.00 H new ATOM 832 N VAL A 57 17.214 24.279 -9.552 1.00 0.00 N ATOM 833 CA VAL A 57 18.302 24.930 -8.826 1.00 0.00 C ATOM 834 C VAL A 57 18.026 26.410 -8.555 1.00 0.00 C ATOM 835 O VAL A 57 18.749 27.029 -7.776 1.00 0.00 O ATOM 836 CB VAL A 57 19.623 24.756 -9.580 1.00 0.00 C ATOM 837 CG1 VAL A 57 19.978 23.271 -9.672 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.548 25.349 -10.987 1.00 0.00 C ATOM 0 H VAL A 57 17.409 24.122 -10.541 1.00 0.00 H new ATOM 0 HA VAL A 57 18.376 24.442 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 57 20.395 25.289 -9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.919 23.154 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.080 22.858 -8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.188 22.740 -10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.503 25.207 -11.493 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.761 24.849 -11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.327 26.414 -10.922 1.00 0.00 H new ATOM 848 N ASN A 58 16.996 26.982 -9.185 1.00 0.00 N ATOM 849 CA ASN A 58 16.663 28.392 -9.043 1.00 0.00 C ATOM 850 C ASN A 58 15.362 28.582 -8.264 1.00 0.00 C ATOM 851 O ASN A 58 14.482 27.722 -8.295 1.00 0.00 O ATOM 852 CB ASN A 58 16.572 29.022 -10.436 1.00 0.00 C ATOM 853 CG ASN A 58 16.433 30.535 -10.375 1.00 0.00 C ATOM 854 OD1 ASN A 58 16.956 31.181 -9.473 1.00 0.00 O ATOM 855 ND2 ASN A 58 15.727 31.111 -11.342 1.00 0.00 N ATOM 0 H ASN A 58 16.370 26.473 -9.809 1.00 0.00 H new ATOM 0 HA ASN A 58 17.447 28.889 -8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.463 28.764 -11.008 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.718 28.602 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.605 32.124 -11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.307 30.541 -12.076 1.00 0.00 H new ATOM 862 N LEU A 59 15.250 29.717 -7.567 1.00 0.00 N ATOM 863 CA LEU A 59 14.080 30.099 -6.789 1.00 0.00 C ATOM 864 C LEU A 59 13.873 31.607 -6.907 1.00 0.00 C ATOM 865 O LEU A 59 14.801 32.337 -7.255 1.00 0.00 O ATOM 866 CB LEU A 59 14.275 29.708 -5.319 1.00 0.00 C ATOM 867 CG LEU A 59 14.296 28.194 -5.084 1.00 0.00 C ATOM 868 CD1 LEU A 59 14.612 27.923 -3.614 1.00 0.00 C ATOM 869 CD2 LEU A 59 12.941 27.564 -5.402 1.00 0.00 C ATOM 0 H LEU A 59 15.996 30.412 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 59 13.202 29.579 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 59 15.211 30.136 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.474 30.148 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 59 15.052 27.760 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.629 26.847 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.586 28.347 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.847 28.381 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.989 26.489 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.176 28.003 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.690 27.749 -6.446 1.00 0.00 H new ATOM 881 N ARG A 60 12.656 32.083 -6.623 1.00 0.00 N ATOM 882 CA ARG A 60 12.338 33.503 -6.721 1.00 0.00 C ATOM 883 C ARG A 60 12.785 34.260 -5.477 1.00 0.00 C ATOM 884 O ARG A 60 12.798 33.705 -4.379 1.00 0.00 O ATOM 885 CB ARG A 60 10.842 33.702 -6.961 1.00 0.00 C ATOM 886 CG ARG A 60 10.364 32.940 -8.197 1.00 0.00 C ATOM 887 CD ARG A 60 8.911 33.311 -8.481 1.00 0.00 C ATOM 888 NE ARG A 60 8.337 32.472 -9.537 1.00 0.00 N ATOM 889 CZ ARG A 60 8.615 32.578 -10.839 1.00 0.00 C ATOM 890 NH1 ARG A 60 9.459 33.502 -11.291 1.00 0.00 N ATOM 891 NH2 ARG A 60 8.039 31.745 -11.700 1.00 0.00 N ATOM 0 H ARG A 60 11.875 31.499 -6.323 1.00 0.00 H new ATOM 0 HA ARG A 60 12.885 33.909 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.285 33.365 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.631 34.764 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.989 33.185 -9.055 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.453 31.866 -8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.323 33.204 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.853 34.359 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 60 7.673 31.751 -9.255 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.907 34.146 -10.639 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.658 33.566 -12.289 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.391 31.033 -11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.245 31.818 -12.696 1.00 0.00 H new ATOM 905 N GLY A 61 13.149 35.531 -5.652 1.00 0.00 N ATOM 906 CA GLY A 61 13.566 36.398 -4.558 1.00 0.00 C ATOM 907 C GLY A 61 14.872 35.941 -3.911 1.00 0.00 C ATOM 908 O GLY A 61 15.506 34.987 -4.362 1.00 0.00 O ATOM 0 H GLY A 61 13.162 35.987 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 61 13.686 37.415 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.781 36.426 -3.802 1.00 0.00 H new ATOM 912 N GLY A 62 15.270 36.637 -2.843 1.00 0.00 N ATOM 913 CA GLY A 62 16.460 36.305 -2.073 1.00 0.00 C ATOM 914 C GLY A 62 16.152 35.306 -0.957 1.00 0.00 C ATOM 915 O GLY A 62 17.041 34.954 -0.183 1.00 0.00 O ATOM 0 H GLY A 62 14.768 37.452 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.218 35.887 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.880 37.214 -1.642 1.00 0.00 H new ATOM 919 N GLU A 63 14.901 34.854 -0.868 1.00 0.00 N ATOM 920 CA GLU A 63 14.454 33.933 0.167 1.00 0.00 C ATOM 921 C GLU A 63 14.848 32.493 -0.162 1.00 0.00 C ATOM 922 O GLU A 63 15.189 32.180 -1.303 1.00 0.00 O ATOM 923 CB GLU A 63 12.938 34.050 0.350 1.00 0.00 C ATOM 924 CG GLU A 63 12.524 35.404 0.935 1.00 0.00 C ATOM 925 CD GLU A 63 12.784 36.568 -0.020 1.00 0.00 C ATOM 926 OE1 GLU A 63 13.505 37.504 0.392 1.00 0.00 O ATOM 927 OE2 GLU A 63 12.263 36.512 -1.156 1.00 0.00 O ATOM 0 H GLU A 63 14.165 35.122 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 63 14.946 34.203 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.446 33.907 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.591 33.252 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.464 35.377 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.068 35.574 1.864 1.00 0.00 H new ATOM 934 N LYS A 64 14.789 31.624 0.856 1.00 0.00 N ATOM 935 CA LYS A 64 15.166 30.214 0.773 1.00 0.00 C ATOM 936 C LYS A 64 16.619 30.015 0.328 1.00 0.00 C ATOM 937 O LYS A 64 17.323 30.968 0.000 1.00 0.00 O ATOM 938 CB LYS A 64 14.178 29.450 -0.116 1.00 0.00 C ATOM 939 CG LYS A 64 12.719 29.641 0.309 1.00 0.00 C ATOM 940 CD LYS A 64 12.453 29.223 1.758 1.00 0.00 C ATOM 941 CE LYS A 64 12.788 27.748 1.979 1.00 0.00 C ATOM 942 NZ LYS A 64 12.492 27.337 3.364 1.00 0.00 N ATOM 0 H LYS A 64 14.468 31.895 1.785 1.00 0.00 H new ATOM 0 HA LYS A 64 15.109 29.798 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.296 29.780 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.422 28.388 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.445 30.689 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.076 29.062 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.049 29.839 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.406 29.402 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.215 27.134 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.842 27.575 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.729 26.332 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.057 27.908 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.481 27.481 3.560 1.00 0.00 H new ATOM 956 N SER A 65 17.062 28.756 0.324 1.00 0.00 N ATOM 957 CA SER A 65 18.413 28.386 -0.074 1.00 0.00 C ATOM 958 C SER A 65 18.415 26.966 -0.636 1.00 0.00 C ATOM 959 O SER A 65 17.462 26.217 -0.432 1.00 0.00 O ATOM 960 CB SER A 65 19.350 28.511 1.130 1.00 0.00 C ATOM 961 OG SER A 65 18.893 27.689 2.186 1.00 0.00 O ATOM 0 H SER A 65 16.485 27.961 0.600 1.00 0.00 H new ATOM 0 HA SER A 65 18.768 29.057 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.362 28.222 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.395 29.549 1.460 1.00 0.00 H new ATOM 0 HG SER A 65 19.499 27.773 2.952 1.00 0.00 H new ATOM 967 N THR A 66 19.487 26.589 -1.342 1.00 0.00 N ATOM 968 CA THR A 66 19.571 25.290 -2.007 1.00 0.00 C ATOM 969 C THR A 66 19.538 24.100 -1.039 1.00 0.00 C ATOM 970 O THR A 66 18.931 23.082 -1.372 1.00 0.00 O ATOM 971 CB THR A 66 20.836 25.240 -2.866 1.00 0.00 C ATOM 972 OG1 THR A 66 20.886 26.379 -3.697 1.00 0.00 O ATOM 973 CG2 THR A 66 20.865 23.993 -3.748 1.00 0.00 C ATOM 0 H THR A 66 20.314 27.173 -1.466 1.00 0.00 H new ATOM 0 HA THR A 66 18.682 25.194 -2.630 1.00 0.00 H new ATOM 0 HB THR A 66 21.694 25.214 -2.194 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.697 26.348 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.777 23.990 -4.344 1.00 0.00 H new ATOM 0 HG22 THR A 66 20.839 23.102 -3.120 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.999 23.995 -4.410 1.00 0.00 H new ATOM 981 N PRO A 67 20.160 24.181 0.150 1.00 0.00 N ATOM 982 CA PRO A 67 20.137 23.116 1.150 1.00 0.00 C ATOM 983 C PRO A 67 18.734 22.707 1.605 1.00 0.00 C ATOM 984 O PRO A 67 18.601 21.754 2.369 1.00 0.00 O ATOM 985 CB PRO A 67 20.956 23.641 2.330 1.00 0.00 C ATOM 986 CG PRO A 67 21.889 24.665 1.688 1.00 0.00 C ATOM 987 CD PRO A 67 20.989 25.276 0.621 1.00 0.00 C ATOM 0 HA PRO A 67 20.550 22.206 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.320 24.097 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 67 21.513 22.842 2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 67 22.237 25.409 2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 67 22.775 24.198 1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 67 20.381 26.081 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 67 21.576 25.703 -0.192 1.00 0.00 H new ATOM 995 N VAL A 68 17.681 23.403 1.158 1.00 0.00 N ATOM 996 CA VAL A 68 16.312 23.055 1.526 1.00 0.00 C ATOM 997 C VAL A 68 15.946 21.665 1.007 1.00 0.00 C ATOM 998 O VAL A 68 15.047 21.017 1.538 1.00 0.00 O ATOM 999 CB VAL A 68 15.358 24.121 0.974 1.00 0.00 C ATOM 1000 CG1 VAL A 68 15.283 24.051 -0.550 1.00 0.00 C ATOM 1001 CG2 VAL A 68 13.951 23.945 1.545 1.00 0.00 C ATOM 0 H VAL A 68 17.756 24.211 0.540 1.00 0.00 H new ATOM 0 HA VAL A 68 16.225 23.028 2.612 1.00 0.00 H new ATOM 0 HB VAL A 68 15.752 25.092 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.600 24.817 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.274 24.217 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.921 23.068 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.294 24.714 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.569 22.961 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.985 24.035 2.631 1.00 0.00 H new ATOM 1011 N ALA A 69 16.642 21.197 -0.030 1.00 0.00 N ATOM 1012 CA ALA A 69 16.389 19.877 -0.577 1.00 0.00 C ATOM 1013 C ALA A 69 16.771 18.804 0.440 1.00 0.00 C ATOM 1014 O ALA A 69 16.220 17.706 0.425 1.00 0.00 O ATOM 1015 CB ALA A 69 17.188 19.719 -1.870 1.00 0.00 C ATOM 0 H ALA A 69 17.382 21.716 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 69 15.328 19.761 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.006 18.730 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.877 20.481 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 69 18.251 19.833 -1.657 1.00 0.00 H new ATOM 1021 N GLU A 70 17.712 19.111 1.337 1.00 0.00 N ATOM 1022 CA GLU A 70 18.146 18.162 2.352 1.00 0.00 C ATOM 1023 C GLU A 70 17.137 18.115 3.498 1.00 0.00 C ATOM 1024 O GLU A 70 17.141 17.170 4.284 1.00 0.00 O ATOM 1025 CB GLU A 70 19.559 18.505 2.818 1.00 0.00 C ATOM 1026 CG GLU A 70 20.507 18.449 1.618 1.00 0.00 C ATOM 1027 CD GLU A 70 21.961 18.643 2.034 1.00 0.00 C ATOM 1028 OE1 GLU A 70 22.747 17.691 1.832 1.00 0.00 O ATOM 1029 OE2 GLU A 70 22.284 19.740 2.547 1.00 0.00 O ATOM 0 H GLU A 70 18.186 20.013 1.376 1.00 0.00 H new ATOM 0 HA GLU A 70 18.185 17.159 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.577 19.499 3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.883 17.803 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.398 17.489 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 70 20.229 19.220 0.899 1.00 0.00 H new ATOM 1036 N ALA A 71 16.267 19.127 3.604 1.00 0.00 N ATOM 1037 CA ALA A 71 15.170 19.087 4.556 1.00 0.00 C ATOM 1038 C ALA A 71 14.086 18.144 4.031 1.00 0.00 C ATOM 1039 O ALA A 71 13.337 17.560 4.814 1.00 0.00 O ATOM 1040 CB ALA A 71 14.628 20.497 4.776 1.00 0.00 C ATOM 0 H ALA A 71 16.308 19.977 3.041 1.00 0.00 H new ATOM 0 HA ALA A 71 15.518 18.710 5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.805 20.463 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.421 21.135 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 71 14.270 20.901 3.829 1.00 0.00 H new ATOM 1046 N LEU A 72 13.991 17.983 2.705 1.00 0.00 N ATOM 1047 CA LEU A 72 13.094 16.990 2.131 1.00 0.00 C ATOM 1048 C LEU A 72 13.627 15.595 2.447 1.00 0.00 C ATOM 1049 O LEU A 72 12.852 14.667 2.665 1.00 0.00 O ATOM 1050 CB LEU A 72 12.978 17.188 0.613 1.00 0.00 C ATOM 1051 CG LEU A 72 12.475 18.584 0.227 1.00 0.00 C ATOM 1052 CD1 LEU A 72 12.438 18.691 -1.296 1.00 0.00 C ATOM 1053 CD2 LEU A 72 11.068 18.826 0.769 1.00 0.00 C ATOM 0 H LEU A 72 14.521 18.524 2.022 1.00 0.00 H new ATOM 0 HA LEU A 72 12.100 17.105 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.953 17.020 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.300 16.438 0.205 1.00 0.00 H new ATOM 0 HG LEU A 72 13.148 19.328 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.082 19.680 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.440 18.536 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.766 17.933 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.734 19.823 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.386 18.082 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.078 18.746 1.856 1.00 0.00 H new ATOM 1065 N ALA A 73 14.955 15.439 2.479 1.00 0.00 N ATOM 1066 CA ALA A 73 15.571 14.174 2.845 1.00 0.00 C ATOM 1067 C ALA A 73 15.394 13.898 4.339 1.00 0.00 C ATOM 1068 O ALA A 73 15.485 12.749 4.768 1.00 0.00 O ATOM 1069 CB ALA A 73 17.050 14.206 2.453 1.00 0.00 C ATOM 0 H ALA A 73 15.619 16.180 2.254 1.00 0.00 H new ATOM 0 HA ALA A 73 15.082 13.361 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.519 13.260 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.138 14.359 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.548 15.022 2.978 1.00 0.00 H new ATOM 1075 N ALA A 74 15.138 14.943 5.135 1.00 0.00 N ATOM 1076 CA ALA A 74 14.844 14.794 6.550 1.00 0.00 C ATOM 1077 C ALA A 74 13.370 14.436 6.757 1.00 0.00 C ATOM 1078 O ALA A 74 12.986 13.995 7.840 1.00 0.00 O ATOM 1079 CB ALA A 74 15.221 16.081 7.283 1.00 0.00 C ATOM 0 H ALA A 74 15.131 15.910 4.810 1.00 0.00 H new ATOM 0 HA ALA A 74 15.435 13.976 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.002 15.972 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.285 16.277 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.646 16.913 6.877 1.00 0.00 H new ATOM 1085 N ARG A 75 12.546 14.626 5.718 1.00 0.00 N ATOM 1086 CA ARG A 75 11.142 14.224 5.711 1.00 0.00 C ATOM 1087 C ARG A 75 10.963 12.902 4.968 1.00 0.00 C ATOM 1088 O ARG A 75 9.854 12.564 4.557 1.00 0.00 O ATOM 1089 CB ARG A 75 10.270 15.344 5.137 1.00 0.00 C ATOM 1090 CG ARG A 75 10.271 16.550 6.078 1.00 0.00 C ATOM 1091 CD ARG A 75 9.309 17.618 5.559 1.00 0.00 C ATOM 1092 NE ARG A 75 9.245 18.755 6.483 1.00 0.00 N ATOM 1093 CZ ARG A 75 8.189 19.569 6.612 1.00 0.00 C ATOM 1094 NH1 ARG A 75 7.094 19.395 5.878 1.00 0.00 N ATOM 1095 NH2 ARG A 75 8.225 20.570 7.484 1.00 0.00 N ATOM 0 H ARG A 75 12.844 15.070 4.849 1.00 0.00 H new ATOM 0 HA ARG A 75 10.813 14.055 6.736 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.643 15.639 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.251 14.985 4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.977 16.240 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.277 16.961 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.634 17.960 4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.315 17.189 5.434 1.00 0.00 H new ATOM 0 HE ARG A 75 10.060 18.939 7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.048 18.632 5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.300 20.025 5.990 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.057 20.719 8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.421 21.190 7.582 1.00 0.00 H new ATOM 1109 N ASP A 76 12.059 12.157 4.798 1.00 0.00 N ATOM 1110 CA ASP A 76 12.071 10.842 4.167 1.00 0.00 C ATOM 1111 C ASP A 76 11.465 10.831 2.757 1.00 0.00 C ATOM 1112 O ASP A 76 10.871 9.836 2.341 1.00 0.00 O ATOM 1113 CB ASP A 76 11.443 9.809 5.109 1.00 0.00 C ATOM 1114 CG ASP A 76 11.689 8.376 4.641 1.00 0.00 C ATOM 1115 OD1 ASP A 76 12.847 8.074 4.278 1.00 0.00 O ATOM 1116 OD2 ASP A 76 10.718 7.589 4.653 1.00 0.00 O ATOM 0 H ASP A 76 12.983 12.462 5.104 1.00 0.00 H new ATOM 0 HA ASP A 76 13.111 10.560 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.852 9.937 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.370 9.988 5.178 1.00 0.00 H new ATOM 1121 N ILE A 77 11.609 11.934 2.016 1.00 0.00 N ATOM 1122 CA ILE A 77 11.155 12.011 0.634 1.00 0.00 C ATOM 1123 C ILE A 77 12.333 12.448 -0.251 1.00 0.00 C ATOM 1124 O ILE A 77 12.878 13.535 -0.064 1.00 0.00 O ATOM 1125 CB ILE A 77 9.891 12.886 0.553 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.318 12.969 -0.869 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.098 14.281 1.153 1.00 0.00 C ATOM 1128 CD1 ILE A 77 9.930 14.078 -1.730 1.00 0.00 C ATOM 0 H ILE A 77 12.042 12.791 2.360 1.00 0.00 H new ATOM 0 HA ILE A 77 10.843 11.041 0.246 1.00 0.00 H new ATOM 0 HB ILE A 77 9.147 12.381 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.472 12.012 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.241 13.126 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.175 14.854 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.373 14.188 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.894 14.794 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.470 14.067 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.753 15.044 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.003 13.913 -1.828 1.00 0.00 H new ATOM 1140 N PRO A 78 12.739 11.604 -1.212 1.00 0.00 N ATOM 1141 CA PRO A 78 13.910 11.818 -2.051 1.00 0.00 C ATOM 1142 C PRO A 78 13.671 12.865 -3.137 1.00 0.00 C ATOM 1143 O PRO A 78 12.531 13.167 -3.486 1.00 0.00 O ATOM 1144 CB PRO A 78 14.200 10.449 -2.670 1.00 0.00 C ATOM 1145 CG PRO A 78 12.807 9.845 -2.808 1.00 0.00 C ATOM 1146 CD PRO A 78 12.105 10.341 -1.543 1.00 0.00 C ATOM 0 HA PRO A 78 14.745 12.204 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.701 10.538 -3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.843 9.843 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.304 10.187 -3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.839 8.756 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.037 10.472 -1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.212 9.624 -0.729 1.00 0.00 H new ATOM 1154 N PHE A 79 14.765 13.412 -3.674 1.00 0.00 N ATOM 1155 CA PHE A 79 14.712 14.469 -4.668 1.00 0.00 C ATOM 1156 C PHE A 79 15.850 14.344 -5.677 1.00 0.00 C ATOM 1157 O PHE A 79 16.805 13.597 -5.463 1.00 0.00 O ATOM 1158 CB PHE A 79 14.811 15.822 -3.963 1.00 0.00 C ATOM 1159 CG PHE A 79 16.129 16.027 -3.248 1.00 0.00 C ATOM 1160 CD1 PHE A 79 16.278 15.620 -1.916 1.00 0.00 C ATOM 1161 CD2 PHE A 79 17.208 16.624 -3.921 1.00 0.00 C ATOM 1162 CE1 PHE A 79 17.497 15.809 -1.257 1.00 0.00 C ATOM 1163 CE2 PHE A 79 18.432 16.809 -3.260 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.574 16.405 -1.925 1.00 0.00 C ATOM 0 H PHE A 79 15.713 13.128 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 79 13.769 14.385 -5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.675 16.617 -4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.997 15.910 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 79 15.450 15.160 -1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 79 17.095 16.941 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.608 15.494 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.264 17.262 -3.779 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.513 16.553 -1.412 1.00 0.00 H new ATOM 1174 N VAL A 80 15.740 15.092 -6.779 1.00 0.00 N ATOM 1175 CA VAL A 80 16.778 15.203 -7.792 1.00 0.00 C ATOM 1176 C VAL A 80 16.840 16.645 -8.285 1.00 0.00 C ATOM 1177 O VAL A 80 15.852 17.375 -8.188 1.00 0.00 O ATOM 1178 CB VAL A 80 16.520 14.239 -8.958 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.480 12.793 -8.466 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.200 14.556 -9.666 1.00 0.00 C ATOM 0 H VAL A 80 14.909 15.645 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 80 17.736 14.928 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 80 17.341 14.366 -9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.296 12.127 -9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.434 12.539 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.681 12.680 -7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.049 13.854 -10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.377 14.468 -8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.233 15.572 -10.059 1.00 0.00 H new ATOM 1190 N PHE A 81 17.995 17.066 -8.809 1.00 0.00 N ATOM 1191 CA PHE A 81 18.166 18.424 -9.303 1.00 0.00 C ATOM 1192 C PHE A 81 17.756 18.539 -10.769 1.00 0.00 C ATOM 1193 O PHE A 81 17.712 17.546 -11.494 1.00 0.00 O ATOM 1194 CB PHE A 81 19.622 18.865 -9.144 1.00 0.00 C ATOM 1195 CG PHE A 81 20.137 18.935 -7.724 1.00 0.00 C ATOM 1196 CD1 PHE A 81 21.433 18.478 -7.434 1.00 0.00 C ATOM 1197 CD2 PHE A 81 19.344 19.466 -6.695 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.941 18.569 -6.131 1.00 0.00 C ATOM 1199 CE2 PHE A 81 19.849 19.549 -5.389 1.00 0.00 C ATOM 1200 CZ PHE A 81 21.150 19.107 -5.108 1.00 0.00 C ATOM 0 H PHE A 81 18.824 16.479 -8.900 1.00 0.00 H new ATOM 0 HA PHE A 81 17.520 19.074 -8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.254 18.177 -9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.736 19.848 -9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 81 22.041 18.054 -8.219 1.00 0.00 H new ATOM 0 HD2 PHE A 81 18.343 19.811 -6.909 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.942 18.225 -5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 81 19.235 19.954 -4.598 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.541 19.181 -4.104 1.00 0.00 H new ATOM 1210 N ALA A 82 17.460 19.769 -11.198 1.00 0.00 N ATOM 1211 CA ALA A 82 17.174 20.090 -12.585 1.00 0.00 C ATOM 1212 C ALA A 82 17.890 21.388 -12.942 1.00 0.00 C ATOM 1213 O ALA A 82 17.669 22.418 -12.304 1.00 0.00 O ATOM 1214 CB ALA A 82 15.666 20.201 -12.796 1.00 0.00 C ATOM 0 H ALA A 82 17.414 20.576 -10.577 1.00 0.00 H new ATOM 0 HA ALA A 82 17.536 19.298 -13.241 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.461 20.442 -13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.192 19.252 -12.543 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.266 20.988 -12.157 1.00 0.00 H new ATOM 1220 N THR A 83 18.750 21.340 -13.962 1.00 0.00 N ATOM 1221 CA THR A 83 19.574 22.475 -14.356 1.00 0.00 C ATOM 1222 C THR A 83 20.140 22.264 -15.758 1.00 0.00 C ATOM 1223 O THR A 83 19.893 21.233 -16.383 1.00 0.00 O ATOM 1224 CB THR A 83 20.709 22.635 -13.336 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.447 23.806 -13.603 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.656 21.434 -13.353 1.00 0.00 C ATOM 0 H THR A 83 18.892 20.509 -14.536 1.00 0.00 H new ATOM 0 HA THR A 83 18.967 23.380 -14.375 1.00 0.00 H new ATOM 0 HB THR A 83 20.250 22.702 -12.350 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.167 23.897 -12.944 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.447 21.584 -12.618 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.100 20.529 -13.109 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.097 21.333 -14.345 1.00 0.00 H new ATOM 1234 N GLY A 84 20.904 23.240 -16.256 1.00 0.00 N ATOM 1235 CA GLY A 84 21.581 23.146 -17.535 1.00 0.00 C ATOM 1236 C GLY A 84 22.751 24.123 -17.571 1.00 0.00 C ATOM 1237 O GLY A 84 22.620 25.261 -17.125 1.00 0.00 O ATOM 0 H GLY A 84 21.066 24.123 -15.771 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.939 22.129 -17.694 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.884 23.368 -18.343 1.00 0.00 H new ATOM 1241 N GLY A 85 23.893 23.676 -18.101 1.00 0.00 N ATOM 1242 CA GLY A 85 25.098 24.492 -18.168 1.00 0.00 C ATOM 1243 C GLY A 85 26.358 23.629 -18.139 1.00 0.00 C ATOM 1244 O GLY A 85 26.304 22.426 -18.397 1.00 0.00 O ATOM 0 H GLY A 85 24.003 22.741 -18.493 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.085 25.089 -19.080 1.00 0.00 H new ATOM 0 HA3 GLY A 85 25.114 25.190 -17.331 1.00 0.00 H new ATOM 1248 N SER A 86 27.494 24.252 -17.827 1.00 0.00 N ATOM 1249 CA SER A 86 28.777 23.569 -17.748 1.00 0.00 C ATOM 1250 C SER A 86 28.890 22.768 -16.453 1.00 0.00 C ATOM 1251 O SER A 86 28.143 22.997 -15.502 1.00 0.00 O ATOM 1252 CB SER A 86 29.906 24.597 -17.863 1.00 0.00 C ATOM 1253 OG SER A 86 31.161 23.956 -17.846 1.00 0.00 O ATOM 0 H SER A 86 27.546 25.250 -17.622 1.00 0.00 H new ATOM 0 HA SER A 86 28.857 22.862 -18.573 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.795 25.167 -18.786 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.843 25.308 -17.040 1.00 0.00 H new ATOM 0 HG SER A 86 31.872 24.626 -17.922 1.00 0.00 H new ATOM 1259 N ASP A 87 29.835 21.823 -16.416 1.00 0.00 N ATOM 1260 CA ASP A 87 30.069 20.991 -15.244 1.00 0.00 C ATOM 1261 C ASP A 87 30.764 21.793 -14.140 1.00 0.00 C ATOM 1262 O ASP A 87 30.889 21.328 -13.009 1.00 0.00 O ATOM 1263 CB ASP A 87 30.907 19.781 -15.664 1.00 0.00 C ATOM 1264 CG ASP A 87 31.120 18.805 -14.509 1.00 0.00 C ATOM 1265 OD1 ASP A 87 30.109 18.241 -14.033 1.00 0.00 O ATOM 1266 OD2 ASP A 87 32.294 18.629 -14.113 1.00 0.00 O ATOM 0 H ASP A 87 30.455 21.618 -17.199 1.00 0.00 H new ATOM 0 HA ASP A 87 29.118 20.646 -14.839 1.00 0.00 H new ATOM 0 HB2 ASP A 87 30.413 19.266 -16.488 1.00 0.00 H new ATOM 0 HB3 ASP A 87 31.874 20.121 -16.035 1.00 0.00 H new ATOM 1271 N ASP A 88 31.218 23.008 -14.464 1.00 0.00 N ATOM 1272 CA ASP A 88 31.870 23.892 -13.508 1.00 0.00 C ATOM 1273 C ASP A 88 30.832 24.715 -12.740 1.00 0.00 C ATOM 1274 O ASP A 88 31.183 25.458 -11.827 1.00 0.00 O ATOM 1275 CB ASP A 88 32.860 24.778 -14.264 1.00 0.00 C ATOM 1276 CG ASP A 88 33.700 25.624 -13.314 1.00 0.00 C ATOM 1277 OD1 ASP A 88 34.434 25.024 -12.498 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.605 26.867 -13.413 1.00 0.00 O ATOM 0 H ASP A 88 31.141 23.402 -15.402 1.00 0.00 H new ATOM 0 HA ASP A 88 32.416 23.309 -12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.515 24.154 -14.872 1.00 0.00 H new ATOM 0 HB3 ASP A 88 32.316 25.430 -14.948 1.00 0.00 H new ATOM 1283 N SER A 89 29.554 24.584 -13.111 1.00 0.00 N ATOM 1284 CA SER A 89 28.465 25.317 -12.482 1.00 0.00 C ATOM 1285 C SER A 89 27.787 24.500 -11.382 1.00 0.00 C ATOM 1286 O SER A 89 26.742 24.904 -10.877 1.00 0.00 O ATOM 1287 CB SER A 89 27.452 25.757 -13.543 1.00 0.00 C ATOM 1288 OG SER A 89 28.095 26.540 -14.530 1.00 0.00 O ATOM 0 H SER A 89 29.251 23.962 -13.860 1.00 0.00 H new ATOM 0 HA SER A 89 28.886 26.202 -12.004 1.00 0.00 H new ATOM 0 HB2 SER A 89 26.992 24.883 -14.003 1.00 0.00 H new ATOM 0 HB3 SER A 89 26.651 26.330 -13.077 1.00 0.00 H new ATOM 0 HG SER A 89 27.441 26.816 -15.206 1.00 0.00 H new ATOM 1294 N VAL A 90 28.368 23.355 -11.008 1.00 0.00 N ATOM 1295 CA VAL A 90 27.815 22.475 -9.984 1.00 0.00 C ATOM 1296 C VAL A 90 28.898 22.010 -9.015 1.00 0.00 C ATOM 1297 O VAL A 90 30.078 21.961 -9.354 1.00 0.00 O ATOM 1298 CB VAL A 90 27.101 21.272 -10.611 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.795 21.698 -11.280 1.00 0.00 C ATOM 1300 CG2 VAL A 90 27.984 20.552 -11.634 1.00 0.00 C ATOM 0 H VAL A 90 29.240 23.015 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 90 27.079 23.050 -9.422 1.00 0.00 H new ATOM 0 HB VAL A 90 26.882 20.580 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 90 25.309 20.826 -11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 90 25.136 22.147 -10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 90 26.008 22.425 -12.064 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.439 19.706 -12.054 1.00 0.00 H new ATOM 0 HG22 VAL A 90 28.253 21.243 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL A 90 28.890 20.193 -11.145 1.00 0.00 H new ATOM 1310 N ASP A 91 28.476 21.669 -7.792 1.00 0.00 N ATOM 1311 CA ASP A 91 29.356 21.231 -6.717 1.00 0.00 C ATOM 1312 C ASP A 91 29.206 19.729 -6.462 1.00 0.00 C ATOM 1313 O ASP A 91 28.473 19.036 -7.166 1.00 0.00 O ATOM 1314 CB ASP A 91 29.039 22.044 -5.459 1.00 0.00 C ATOM 1315 CG ASP A 91 29.288 23.532 -5.687 1.00 0.00 C ATOM 1316 OD1 ASP A 91 28.287 24.270 -5.833 1.00 0.00 O ATOM 1317 OD2 ASP A 91 30.474 23.923 -5.714 1.00 0.00 O ATOM 0 H ASP A 91 27.493 21.692 -7.523 1.00 0.00 H new ATOM 0 HA ASP A 91 30.394 21.402 -7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.999 21.886 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.654 21.692 -4.631 1.00 0.00 H new ATOM 1322 N SER A 92 29.905 19.220 -5.443 1.00 0.00 N ATOM 1323 CA SER A 92 29.890 17.797 -5.121 1.00 0.00 C ATOM 1324 C SER A 92 28.497 17.310 -4.723 1.00 0.00 C ATOM 1325 O SER A 92 28.257 16.106 -4.684 1.00 0.00 O ATOM 1326 CB SER A 92 30.896 17.519 -4.010 1.00 0.00 C ATOM 1327 OG SER A 92 32.189 17.912 -4.429 1.00 0.00 O ATOM 0 H SER A 92 30.492 19.781 -4.825 1.00 0.00 H new ATOM 0 HA SER A 92 30.171 17.244 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.615 18.062 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 92 30.891 16.458 -3.759 1.00 0.00 H new ATOM 0 HG SER A 92 32.833 17.734 -3.712 1.00 0.00 H new ATOM 1333 N ARG A 93 27.573 18.233 -4.429 1.00 0.00 N ATOM 1334 CA ARG A 93 26.191 17.889 -4.123 1.00 0.00 C ATOM 1335 C ARG A 93 25.512 17.294 -5.350 1.00 0.00 C ATOM 1336 O ARG A 93 24.641 16.438 -5.225 1.00 0.00 O ATOM 1337 CB ARG A 93 25.453 19.160 -3.691 1.00 0.00 C ATOM 1338 CG ARG A 93 25.960 19.661 -2.336 1.00 0.00 C ATOM 1339 CD ARG A 93 25.287 20.994 -2.002 1.00 0.00 C ATOM 1340 NE ARG A 93 25.531 21.366 -0.605 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.728 21.011 0.404 1.00 0.00 C ATOM 1342 NH1 ARG A 93 23.633 20.295 0.179 1.00 0.00 N ATOM 1343 NH2 ARG A 93 25.006 21.364 1.653 1.00 0.00 N ATOM 0 H ARG A 93 27.767 19.234 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 93 26.168 17.151 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.590 19.937 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 93 24.383 18.960 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 93 25.743 18.927 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 93 27.043 19.785 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 93 25.667 21.774 -2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 93 24.214 20.920 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 93 26.357 21.925 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.397 20.010 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.028 20.030 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 93 25.842 21.913 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 93 24.384 21.086 2.412 1.00 0.00 H new ATOM 1357 N PHE A 94 25.919 17.744 -6.539 1.00 0.00 N ATOM 1358 CA PHE A 94 25.361 17.292 -7.806 1.00 0.00 C ATOM 1359 C PHE A 94 26.136 16.078 -8.313 1.00 0.00 C ATOM 1360 O PHE A 94 25.644 15.326 -9.153 1.00 0.00 O ATOM 1361 CB PHE A 94 25.452 18.433 -8.815 1.00 0.00 C ATOM 1362 CG PHE A 94 24.766 19.705 -8.381 1.00 0.00 C ATOM 1363 CD1 PHE A 94 23.543 20.075 -8.958 1.00 0.00 C ATOM 1364 CD2 PHE A 94 25.354 20.519 -7.400 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.896 21.242 -8.530 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.703 21.686 -6.975 1.00 0.00 C ATOM 1367 CZ PHE A 94 23.471 22.041 -7.533 1.00 0.00 C ATOM 0 H PHE A 94 26.655 18.442 -6.645 1.00 0.00 H new ATOM 0 HA PHE A 94 24.319 17.003 -7.671 1.00 0.00 H new ATOM 0 HB2 PHE A 94 26.503 18.649 -9.007 1.00 0.00 H new ATOM 0 HB3 PHE A 94 25.016 18.103 -9.758 1.00 0.00 H new ATOM 0 HD1 PHE A 94 23.101 19.463 -9.730 1.00 0.00 H new ATOM 0 HD2 PHE A 94 26.308 20.246 -6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.952 21.526 -8.970 1.00 0.00 H new ATOM 0 HE2 PHE A 94 25.153 22.310 -6.217 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.962 22.932 -7.195 1.00 0.00 H new ATOM 1377 N ARG A 95 27.353 15.893 -7.800 1.00 0.00 N ATOM 1378 CA ARG A 95 28.168 14.731 -8.107 1.00 0.00 C ATOM 1379 C ARG A 95 27.882 13.581 -7.141 1.00 0.00 C ATOM 1380 O ARG A 95 28.435 12.493 -7.299 1.00 0.00 O ATOM 1381 CB ARG A 95 29.646 15.131 -8.123 1.00 0.00 C ATOM 1382 CG ARG A 95 29.856 16.250 -9.148 1.00 0.00 C ATOM 1383 CD ARG A 95 31.342 16.578 -9.309 1.00 0.00 C ATOM 1384 NE ARG A 95 31.872 17.297 -8.143 1.00 0.00 N ATOM 1385 CZ ARG A 95 32.103 18.614 -8.113 1.00 0.00 C ATOM 1386 NH1 ARG A 95 31.851 19.380 -9.171 1.00 0.00 N ATOM 1387 NH2 ARG A 95 32.588 19.180 -7.013 1.00 0.00 N ATOM 0 H ARG A 95 27.797 16.550 -7.159 1.00 0.00 H new ATOM 0 HA ARG A 95 27.909 14.362 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.955 15.466 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 95 30.265 14.270 -8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 95 29.441 15.949 -10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 95 29.316 17.142 -8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.904 15.655 -9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.486 17.182 -10.205 1.00 0.00 H new ATOM 0 HE ARG A 95 32.077 16.757 -7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 95 31.475 18.965 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 95 32.033 20.383 -9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 95 32.785 18.610 -6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 95 32.764 20.185 -6.991 1.00 0.00 H new ATOM 1401 N ASP A 96 27.023 13.815 -6.145 1.00 0.00 N ATOM 1402 CA ASP A 96 26.624 12.800 -5.175 1.00 0.00 C ATOM 1403 C ASP A 96 25.122 12.508 -5.237 1.00 0.00 C ATOM 1404 O ASP A 96 24.666 11.516 -4.670 1.00 0.00 O ATOM 1405 CB ASP A 96 27.045 13.263 -3.781 1.00 0.00 C ATOM 1406 CG ASP A 96 26.783 12.193 -2.725 1.00 0.00 C ATOM 1407 OD1 ASP A 96 27.429 11.125 -2.814 1.00 0.00 O ATOM 1408 OD2 ASP A 96 25.940 12.454 -1.837 1.00 0.00 O ATOM 0 H ASP A 96 26.583 14.722 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 96 27.125 11.862 -5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.105 13.516 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.502 14.171 -3.520 1.00 0.00 H new ATOM 1413 N ARG A 97 24.344 13.359 -5.919 1.00 0.00 N ATOM 1414 CA ARG A 97 22.911 13.153 -6.101 1.00 0.00 C ATOM 1415 C ARG A 97 22.543 13.315 -7.576 1.00 0.00 C ATOM 1416 O ARG A 97 23.241 14.025 -8.297 1.00 0.00 O ATOM 1417 CB ARG A 97 22.118 14.135 -5.228 1.00 0.00 C ATOM 1418 CG ARG A 97 22.403 13.894 -3.746 1.00 0.00 C ATOM 1419 CD ARG A 97 21.566 14.850 -2.899 1.00 0.00 C ATOM 1420 NE ARG A 97 21.751 14.583 -1.466 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.187 15.473 -0.568 1.00 0.00 C ATOM 1422 NH1 ARG A 97 22.525 16.711 -0.919 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.292 15.132 0.714 1.00 0.00 N ATOM 0 H ARG A 97 24.696 14.209 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 97 22.654 12.140 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.382 15.159 -5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.051 14.021 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.170 12.862 -3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 97 23.463 14.044 -3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 97 21.848 15.879 -3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.513 14.745 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 97 21.530 13.646 -1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.455 17.002 -1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.854 17.369 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.040 14.190 1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.625 15.812 1.397 1.00 0.00 H new ATOM 1437 N PRO A 98 21.465 12.671 -8.042 1.00 0.00 N ATOM 1438 CA PRO A 98 21.065 12.689 -9.440 1.00 0.00 C ATOM 1439 C PRO A 98 20.753 14.091 -9.956 1.00 0.00 C ATOM 1440 O PRO A 98 20.395 14.985 -9.189 1.00 0.00 O ATOM 1441 CB PRO A 98 19.834 11.789 -9.536 1.00 0.00 C ATOM 1442 CG PRO A 98 19.932 10.903 -8.293 1.00 0.00 C ATOM 1443 CD PRO A 98 20.567 11.839 -7.269 1.00 0.00 C ATOM 0 HA PRO A 98 21.885 12.335 -10.065 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.912 12.371 -9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.842 11.197 -10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.953 10.550 -7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.546 10.020 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.813 12.438 -6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.105 11.281 -6.502 1.00 0.00 H new ATOM 1451 N VAL A 99 20.889 14.271 -11.272 1.00 0.00 N ATOM 1452 CA VAL A 99 20.655 15.540 -11.949 1.00 0.00 C ATOM 1453 C VAL A 99 19.902 15.279 -13.252 1.00 0.00 C ATOM 1454 O VAL A 99 20.006 14.196 -13.826 1.00 0.00 O ATOM 1455 CB VAL A 99 21.993 16.246 -12.223 1.00 0.00 C ATOM 1456 CG1 VAL A 99 21.759 17.630 -12.837 1.00 0.00 C ATOM 1457 CG2 VAL A 99 22.790 16.440 -10.936 1.00 0.00 C ATOM 0 H VAL A 99 21.170 13.522 -11.905 1.00 0.00 H new ATOM 0 HA VAL A 99 20.053 16.192 -11.315 1.00 0.00 H new ATOM 0 HB VAL A 99 22.549 15.611 -12.913 1.00 0.00 H new ATOM 0 HG11 VAL A 99 22.719 18.112 -13.023 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.218 17.524 -13.777 1.00 0.00 H new ATOM 0 HG13 VAL A 99 21.174 18.239 -12.148 1.00 0.00 H new ATOM 0 HG21 VAL A 99 23.731 16.942 -11.163 1.00 0.00 H new ATOM 0 HG22 VAL A 99 22.213 17.048 -10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.996 15.469 -10.486 1.00 0.00 H new ATOM 1467 N LEU A 100 19.144 16.275 -13.716 1.00 0.00 N ATOM 1468 CA LEU A 100 18.374 16.194 -14.946 1.00 0.00 C ATOM 1469 C LEU A 100 18.498 17.505 -15.720 1.00 0.00 C ATOM 1470 O LEU A 100 18.734 18.558 -15.129 1.00 0.00 O ATOM 1471 CB LEU A 100 16.919 15.883 -14.583 1.00 0.00 C ATOM 1472 CG LEU A 100 16.021 15.621 -15.797 1.00 0.00 C ATOM 1473 CD1 LEU A 100 16.511 14.415 -16.597 1.00 0.00 C ATOM 1474 CD2 LEU A 100 14.602 15.331 -15.310 1.00 0.00 C ATOM 0 H LEU A 100 19.051 17.170 -13.237 1.00 0.00 H new ATOM 0 HA LEU A 100 18.753 15.400 -15.590 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.896 15.010 -13.930 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.510 16.718 -14.014 1.00 0.00 H new ATOM 0 HG LEU A 100 16.045 16.503 -16.438 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.854 14.254 -17.452 1.00 0.00 H new ATOM 0 HD12 LEU A 100 17.526 14.600 -16.949 1.00 0.00 H new ATOM 0 HD13 LEU A 100 16.503 13.529 -15.962 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.955 15.143 -16.167 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.612 14.454 -14.663 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.226 16.189 -14.753 1.00 0.00 H new ATOM 1486 N GLN A 101 18.339 17.449 -17.045 1.00 0.00 N ATOM 1487 CA GLN A 101 18.427 18.627 -17.894 1.00 0.00 C ATOM 1488 C GLN A 101 17.182 19.500 -17.730 1.00 0.00 C ATOM 1489 O GLN A 101 16.129 19.015 -17.315 1.00 0.00 O ATOM 1490 CB GLN A 101 18.611 18.218 -19.361 1.00 0.00 C ATOM 1491 CG GLN A 101 19.962 17.536 -19.617 1.00 0.00 C ATOM 1492 CD GLN A 101 20.017 16.089 -19.138 1.00 0.00 C ATOM 1493 OE1 GLN A 101 18.992 15.465 -18.878 1.00 0.00 O ATOM 1494 NE2 GLN A 101 21.220 15.538 -19.015 1.00 0.00 N ATOM 0 H GLN A 101 18.146 16.586 -17.553 1.00 0.00 H new ATOM 0 HA GLN A 101 19.296 19.209 -17.588 1.00 0.00 H new ATOM 0 HB2 GLN A 101 17.806 17.542 -19.650 1.00 0.00 H new ATOM 0 HB3 GLN A 101 18.528 19.101 -19.994 1.00 0.00 H new ATOM 0 HG2 GLN A 101 20.177 17.565 -20.685 1.00 0.00 H new ATOM 0 HG3 GLN A 101 20.747 18.105 -19.118 1.00 0.00 H new ATOM 0 HE21 GLN A 101 22.055 16.080 -19.238 1.00 0.00 H new ATOM 0 HE22 GLN A 101 21.309 14.573 -18.697 1.00 0.00 H new ATOM 1503 N LYS A 102 17.301 20.789 -18.057 1.00 0.00 N ATOM 1504 CA LYS A 102 16.186 21.726 -17.956 1.00 0.00 C ATOM 1505 C LYS A 102 15.166 21.515 -19.083 1.00 0.00 C ATOM 1506 O LYS A 102 13.978 21.403 -18.786 1.00 0.00 O ATOM 1507 CB LYS A 102 16.736 23.155 -17.908 1.00 0.00 C ATOM 1508 CG LYS A 102 15.641 24.214 -17.735 1.00 0.00 C ATOM 1509 CD LYS A 102 14.874 24.021 -16.423 1.00 0.00 C ATOM 1510 CE LYS A 102 13.971 25.232 -16.178 1.00 0.00 C ATOM 1511 NZ LYS A 102 13.251 25.105 -14.900 1.00 0.00 N ATOM 0 H LYS A 102 18.167 21.208 -18.396 1.00 0.00 H new ATOM 0 HA LYS A 102 15.638 21.542 -17.032 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.446 23.237 -17.085 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.287 23.357 -18.826 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.089 25.208 -17.753 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.947 24.162 -18.574 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.276 23.111 -16.469 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.573 23.901 -15.595 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.571 26.142 -16.172 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.255 25.327 -16.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.042 26.052 -14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.361 24.589 -15.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.840 24.584 -14.220 1.00 0.00 H new ATOM 1525 N PRO A 103 15.575 21.456 -20.362 1.00 0.00 N ATOM 1526 CA PRO A 103 14.671 21.125 -21.451 1.00 0.00 C ATOM 1527 C PRO A 103 14.387 19.624 -21.463 1.00 0.00 C ATOM 1528 O PRO A 103 15.250 18.823 -21.102 1.00 0.00 O ATOM 1529 CB PRO A 103 15.399 21.557 -22.721 1.00 0.00 C ATOM 1530 CG PRO A 103 16.864 21.316 -22.353 1.00 0.00 C ATOM 1531 CD PRO A 103 16.911 21.708 -20.878 1.00 0.00 C ATOM 0 HA PRO A 103 13.706 21.623 -21.355 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.094 20.967 -23.585 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.207 22.602 -22.965 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.153 20.276 -22.505 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.538 21.925 -22.955 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.656 21.121 -20.340 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.185 22.756 -20.760 1.00 0.00 H new ATOM 1539 N PHE A 104 13.177 19.242 -21.880 1.00 0.00 N ATOM 1540 CA PHE A 104 12.756 17.846 -21.932 1.00 0.00 C ATOM 1541 C PHE A 104 12.594 17.389 -23.379 1.00 0.00 C ATOM 1542 O PHE A 104 12.279 18.192 -24.261 1.00 0.00 O ATOM 1543 CB PHE A 104 11.450 17.645 -21.153 1.00 0.00 C ATOM 1544 CG PHE A 104 11.595 17.426 -19.659 1.00 0.00 C ATOM 1545 CD1 PHE A 104 10.607 16.702 -18.970 1.00 0.00 C ATOM 1546 CD2 PHE A 104 12.699 17.931 -18.949 1.00 0.00 C ATOM 1547 CE1 PHE A 104 10.737 16.467 -17.594 1.00 0.00 C ATOM 1548 CE2 PHE A 104 12.818 17.707 -17.572 1.00 0.00 C ATOM 1549 CZ PHE A 104 11.839 16.973 -16.895 1.00 0.00 C ATOM 0 H PHE A 104 12.461 19.898 -22.192 1.00 0.00 H new ATOM 0 HA PHE A 104 13.530 17.237 -21.464 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.817 18.518 -21.313 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.925 16.789 -21.577 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.746 16.326 -19.502 1.00 0.00 H new ATOM 0 HD2 PHE A 104 13.459 18.495 -19.469 1.00 0.00 H new ATOM 0 HE1 PHE A 104 9.985 15.894 -17.072 1.00 0.00 H new ATOM 0 HE2 PHE A 104 13.666 18.101 -17.032 1.00 0.00 H new ATOM 0 HZ PHE A 104 11.933 16.797 -15.834 1.00 0.00 H new ATOM 1559 N THR A 105 12.811 16.092 -23.610 1.00 0.00 N ATOM 1560 CA THR A 105 12.674 15.461 -24.916 1.00 0.00 C ATOM 1561 C THR A 105 12.099 14.062 -24.729 1.00 0.00 C ATOM 1562 O THR A 105 12.054 13.554 -23.610 1.00 0.00 O ATOM 1563 CB THR A 105 14.032 15.375 -25.621 1.00 0.00 C ATOM 1564 OG1 THR A 105 14.927 14.611 -24.843 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.634 16.758 -25.853 1.00 0.00 C ATOM 0 H THR A 105 13.092 15.442 -22.876 1.00 0.00 H new ATOM 0 HA THR A 105 12.006 16.060 -25.535 1.00 0.00 H new ATOM 0 HB THR A 105 13.871 14.901 -26.589 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.793 14.557 -25.299 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.596 16.656 -26.355 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.961 17.348 -26.475 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.775 17.259 -24.895 1.00 0.00 H new ATOM 1573 N MET A 106 11.656 13.423 -25.816 1.00 0.00 N ATOM 1574 CA MET A 106 11.027 12.115 -25.721 1.00 0.00 C ATOM 1575 C MET A 106 11.995 11.089 -25.133 1.00 0.00 C ATOM 1576 O MET A 106 11.595 10.243 -24.333 1.00 0.00 O ATOM 1577 CB MET A 106 10.570 11.661 -27.112 1.00 0.00 C ATOM 1578 CG MET A 106 9.676 12.700 -27.794 1.00 0.00 C ATOM 1579 SD MET A 106 8.218 13.211 -26.846 1.00 0.00 S ATOM 1580 CE MET A 106 7.374 11.616 -26.672 1.00 0.00 C ATOM 0 H MET A 106 11.724 13.793 -26.764 1.00 0.00 H new ATOM 0 HA MET A 106 10.164 12.192 -25.060 1.00 0.00 H new ATOM 0 HB2 MET A 106 11.444 11.470 -27.735 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.029 10.719 -27.025 1.00 0.00 H new ATOM 0 HG2 MET A 106 10.275 13.584 -28.011 1.00 0.00 H new ATOM 0 HG3 MET A 106 9.344 12.297 -28.751 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.374 11.776 -26.269 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.300 11.135 -27.647 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.940 10.977 -25.995 1.00 0.00 H new ATOM 1590 N ASP A 107 13.272 11.158 -25.522 1.00 0.00 N ATOM 1591 CA ASP A 107 14.284 10.232 -25.036 1.00 0.00 C ATOM 1592 C ASP A 107 14.855 10.688 -23.694 1.00 0.00 C ATOM 1593 O ASP A 107 15.339 9.861 -22.921 1.00 0.00 O ATOM 1594 CB ASP A 107 15.399 10.112 -26.079 1.00 0.00 C ATOM 1595 CG ASP A 107 14.870 9.550 -27.395 1.00 0.00 C ATOM 1596 OD1 ASP A 107 14.676 10.358 -28.331 1.00 0.00 O ATOM 1597 OD2 ASP A 107 14.661 8.319 -27.453 1.00 0.00 O ATOM 0 H ASP A 107 13.625 11.854 -26.178 1.00 0.00 H new ATOM 0 HA ASP A 107 13.822 9.257 -24.880 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.844 11.092 -26.253 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.189 9.466 -25.697 1.00 0.00 H new ATOM 1602 N GLY A 108 14.804 11.994 -23.410 1.00 0.00 N ATOM 1603 CA GLY A 108 15.358 12.540 -22.181 1.00 0.00 C ATOM 1604 C GLY A 108 14.477 12.227 -20.977 1.00 0.00 C ATOM 1605 O GLY A 108 14.965 12.183 -19.850 1.00 0.00 O ATOM 0 H GLY A 108 14.381 12.691 -24.023 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.355 12.131 -22.018 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.469 13.620 -22.280 1.00 0.00 H new ATOM 1609 N VAL A 109 13.178 12.009 -21.206 1.00 0.00 N ATOM 1610 CA VAL A 109 12.250 11.677 -20.131 1.00 0.00 C ATOM 1611 C VAL A 109 12.263 10.177 -19.864 1.00 0.00 C ATOM 1612 O VAL A 109 12.000 9.746 -18.741 1.00 0.00 O ATOM 1613 CB VAL A 109 10.851 12.184 -20.493 1.00 0.00 C ATOM 1614 CG1 VAL A 109 9.809 11.723 -19.472 1.00 0.00 C ATOM 1615 CG2 VAL A 109 10.866 13.711 -20.498 1.00 0.00 C ATOM 0 H VAL A 109 12.749 12.058 -22.130 1.00 0.00 H new ATOM 0 HA VAL A 109 12.560 12.169 -19.209 1.00 0.00 H new ATOM 0 HB VAL A 109 10.588 11.784 -21.472 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.827 12.100 -19.759 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.785 10.634 -19.443 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.071 12.107 -18.486 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.874 14.084 -20.755 1.00 0.00 H new ATOM 0 HG22 VAL A 109 11.146 14.075 -19.510 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.588 14.065 -21.233 1.00 0.00 H new ATOM 1625 N ALA A 110 12.572 9.366 -20.880 1.00 0.00 N ATOM 1626 CA ALA A 110 12.687 7.932 -20.677 1.00 0.00 C ATOM 1627 C ALA A 110 13.891 7.628 -19.783 1.00 0.00 C ATOM 1628 O ALA A 110 13.882 6.653 -19.034 1.00 0.00 O ATOM 1629 CB ALA A 110 12.824 7.248 -22.036 1.00 0.00 C ATOM 0 H ALA A 110 12.744 9.679 -21.836 1.00 0.00 H new ATOM 0 HA ALA A 110 11.795 7.551 -20.179 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.911 6.171 -21.894 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.944 7.464 -22.642 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.714 7.620 -22.543 1.00 0.00 H new ATOM 1635 N LYS A 111 14.928 8.470 -19.861 1.00 0.00 N ATOM 1636 CA LYS A 111 16.115 8.337 -19.031 1.00 0.00 C ATOM 1637 C LYS A 111 15.914 9.016 -17.677 1.00 0.00 C ATOM 1638 O LYS A 111 16.621 8.696 -16.724 1.00 0.00 O ATOM 1639 CB LYS A 111 17.329 8.919 -19.765 1.00 0.00 C ATOM 1640 CG LYS A 111 17.644 8.165 -21.059 1.00 0.00 C ATOM 1641 CD LYS A 111 17.998 6.699 -20.794 1.00 0.00 C ATOM 1642 CE LYS A 111 18.438 6.009 -22.086 1.00 0.00 C ATOM 1643 NZ LYS A 111 17.344 5.961 -23.077 1.00 0.00 N ATOM 0 H LYS A 111 14.961 9.261 -20.504 1.00 0.00 H new ATOM 0 HA LYS A 111 16.295 7.279 -18.842 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.143 9.968 -19.995 1.00 0.00 H new ATOM 0 HB3 LYS A 111 18.198 8.886 -19.108 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.784 8.216 -21.727 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.474 8.652 -21.570 1.00 0.00 H new ATOM 0 HD2 LYS A 111 18.796 6.640 -20.054 1.00 0.00 H new ATOM 0 HD3 LYS A 111 17.135 6.181 -20.374 1.00 0.00 H new ATOM 0 HE2 LYS A 111 19.291 6.539 -22.510 1.00 0.00 H new ATOM 0 HE3 LYS A 111 18.772 4.996 -21.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 17.619 5.344 -23.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.484 5.586 -22.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.158 6.919 -23.435 1.00 0.00 H new ATOM 1657 N ALA A 112 14.961 9.948 -17.574 1.00 0.00 N ATOM 1658 CA ALA A 112 14.681 10.620 -16.317 1.00 0.00 C ATOM 1659 C ALA A 112 13.938 9.683 -15.367 1.00 0.00 C ATOM 1660 O ALA A 112 14.212 9.675 -14.168 1.00 0.00 O ATOM 1661 CB ALA A 112 13.853 11.873 -16.596 1.00 0.00 C ATOM 0 H ALA A 112 14.374 10.249 -18.352 1.00 0.00 H new ATOM 0 HA ALA A 112 15.618 10.907 -15.839 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.638 12.384 -15.657 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.412 12.540 -17.252 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.917 11.591 -17.078 1.00 0.00 H new ATOM 1667 N LEU A 113 13.004 8.889 -15.897 1.00 0.00 N ATOM 1668 CA LEU A 113 12.276 7.930 -15.082 1.00 0.00 C ATOM 1669 C LEU A 113 13.147 6.711 -14.796 1.00 0.00 C ATOM 1670 O LEU A 113 12.958 6.047 -13.779 1.00 0.00 O ATOM 1671 CB LEU A 113 10.977 7.530 -15.792 1.00 0.00 C ATOM 1672 CG LEU A 113 10.025 8.716 -15.974 1.00 0.00 C ATOM 1673 CD1 LEU A 113 8.761 8.227 -16.675 1.00 0.00 C ATOM 1674 CD2 LEU A 113 9.631 9.333 -14.633 1.00 0.00 C ATOM 0 H LEU A 113 12.740 8.895 -16.882 1.00 0.00 H new ATOM 0 HA LEU A 113 12.019 8.388 -14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.215 7.105 -16.767 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.477 6.750 -15.218 1.00 0.00 H new ATOM 0 HG LEU A 113 10.536 9.476 -16.565 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.074 9.062 -16.811 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.022 7.810 -17.648 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.282 7.459 -16.068 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.955 10.171 -14.803 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.132 8.583 -14.020 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.525 9.686 -14.118 1.00 0.00 H new ATOM 1686 N ALA A 114 14.104 6.407 -15.681 1.00 0.00 N ATOM 1687 CA ALA A 114 15.037 5.319 -15.448 1.00 0.00 C ATOM 1688 C ALA A 114 16.084 5.718 -14.407 1.00 0.00 C ATOM 1689 O ALA A 114 16.707 4.848 -13.804 1.00 0.00 O ATOM 1690 CB ALA A 114 15.701 4.939 -16.772 1.00 0.00 C ATOM 0 H ALA A 114 14.245 6.903 -16.561 1.00 0.00 H new ATOM 0 HA ALA A 114 14.498 4.456 -15.057 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.403 4.122 -16.606 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.939 4.622 -17.484 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.235 5.801 -17.172 1.00 0.00 H new ATOM 1696 N ALA A 115 16.282 7.023 -14.191 1.00 0.00 N ATOM 1697 CA ALA A 115 17.197 7.517 -13.174 1.00 0.00 C ATOM 1698 C ALA A 115 16.508 7.655 -11.816 1.00 0.00 C ATOM 1699 O ALA A 115 17.180 7.686 -10.785 1.00 0.00 O ATOM 1700 CB ALA A 115 17.771 8.855 -13.634 1.00 0.00 C ATOM 0 H ALA A 115 15.811 7.759 -14.718 1.00 0.00 H new ATOM 0 HA ALA A 115 18.005 6.797 -13.045 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.459 9.235 -12.879 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.305 8.718 -14.575 1.00 0.00 H new ATOM 0 HB3 ALA A 115 16.960 9.569 -13.778 1.00 0.00 H new ATOM 1706 N LEU A 116 15.171 7.737 -11.804 1.00 0.00 N ATOM 1707 CA LEU A 116 14.408 7.865 -10.568 1.00 0.00 C ATOM 1708 C LEU A 116 13.996 6.504 -10.005 1.00 0.00 C ATOM 1709 O LEU A 116 13.975 6.329 -8.787 1.00 0.00 O ATOM 1710 CB LEU A 116 13.160 8.715 -10.844 1.00 0.00 C ATOM 1711 CG LEU A 116 13.478 10.207 -10.963 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.236 10.947 -11.461 1.00 0.00 C ATOM 1713 CD2 LEU A 116 13.870 10.775 -9.599 1.00 0.00 C ATOM 0 H LEU A 116 14.597 7.716 -12.647 1.00 0.00 H new ATOM 0 HA LEU A 116 15.041 8.345 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.689 8.373 -11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.438 8.564 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 116 14.305 10.337 -11.661 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.457 12.011 -11.548 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.946 10.556 -12.436 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.419 10.802 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.094 11.837 -9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.046 10.641 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 116 14.751 10.252 -9.227 1.00 0.00 H new ATOM 1725 N LEU A 117 13.669 5.542 -10.871 1.00 0.00 N ATOM 1726 CA LEU A 117 13.139 4.253 -10.443 1.00 0.00 C ATOM 1727 C LEU A 117 14.221 3.172 -10.361 1.00 0.00 C ATOM 1728 O LEU A 117 13.899 2.000 -10.178 1.00 0.00 O ATOM 1729 CB LEU A 117 11.967 3.840 -11.345 1.00 0.00 C ATOM 1730 CG LEU A 117 10.644 4.515 -10.962 1.00 0.00 C ATOM 1731 CD1 LEU A 117 10.675 6.037 -11.109 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.537 3.974 -11.866 1.00 0.00 C ATOM 0 H LEU A 117 13.765 5.637 -11.882 1.00 0.00 H new ATOM 0 HA LEU A 117 12.762 4.364 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.208 4.087 -12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.843 2.758 -11.297 1.00 0.00 H new ATOM 0 HG LEU A 117 10.466 4.289 -9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.708 6.450 -10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.451 6.449 -10.464 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.888 6.298 -12.146 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.590 4.446 -11.604 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.777 4.194 -12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.454 2.895 -11.733 1.00 0.00 H new ATOM 1744 N VAL A 118 15.497 3.553 -10.493 1.00 0.00 N ATOM 1745 CA VAL A 118 16.617 2.620 -10.392 1.00 0.00 C ATOM 1746 C VAL A 118 17.726 3.233 -9.544 1.00 0.00 C ATOM 1747 O VAL A 118 18.025 2.640 -8.484 1.00 0.00 O ATOM 1748 CB VAL A 118 17.134 2.238 -11.781 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.232 1.184 -11.651 1.00 0.00 C ATOM 1750 CG2 VAL A 118 16.015 1.658 -12.648 1.00 0.00 C ATOM 0 H VAL A 118 15.778 4.517 -10.673 1.00 0.00 H new ATOM 0 HA VAL A 118 16.272 1.707 -9.907 1.00 0.00 H new ATOM 0 HB VAL A 118 17.521 3.142 -12.251 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.597 0.915 -12.642 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.054 1.586 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.830 0.298 -11.160 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.413 1.396 -13.628 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.610 0.766 -12.171 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.223 2.398 -12.764 1.00 0.00 H new TER 1760 VAL A 118