USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 1.52 K(o=2.4,f=1.7) USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0.915 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.203 (180deg=-0.459) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.31 (180deg=1.15) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= -0.0343! (180deg=-0.0819!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.128 X(o=0.13,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 1.36 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 41 GLN : amide:sc= -0.0611 K(o=-0.061,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.434 K(o=0.43,f=-4.7!) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -49:sc= 0.349 USER MOD Single : A 60 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.35) USER MOD Single : A 62 GLN : amide:sc=-0.00621 X(o=-0.0062,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 0.659 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.346 31.262 17.435 1.00 0.00 N ATOM 2 CA MET A 1 13.389 30.850 18.848 1.00 0.00 C ATOM 3 C MET A 1 14.797 31.188 19.340 1.00 0.00 C ATOM 4 O MET A 1 15.776 31.010 18.611 1.00 0.00 O ATOM 5 CB MET A 1 13.083 29.358 18.986 1.00 0.00 C ATOM 6 CG MET A 1 12.987 28.913 20.443 1.00 0.00 C ATOM 7 SD MET A 1 12.887 27.113 20.587 1.00 0.00 S ATOM 8 CE MET A 1 14.356 26.313 19.907 1.00 0.00 C ATOM 0 H1 MET A 1 12.356 31.362 17.133 1.00 0.00 H new ATOM 0 H2 MET A 1 13.836 32.173 17.324 1.00 0.00 H new ATOM 0 H3 MET A 1 13.816 30.542 16.849 1.00 0.00 H new ATOM 0 HA MET A 1 12.637 31.367 19.444 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.144 29.135 18.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.861 28.783 18.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.857 29.274 20.992 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.109 29.364 20.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.196 25.236 19.863 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.546 26.693 18.903 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.214 26.527 20.544 1.00 0.00 H new ATOM 20 N GLN A 2 14.912 31.687 20.558 1.00 0.00 N ATOM 21 CA GLN A 2 16.183 32.186 21.045 1.00 0.00 C ATOM 22 C GLN A 2 16.679 31.209 22.114 1.00 0.00 C ATOM 23 O GLN A 2 16.105 30.946 23.166 1.00 0.00 O ATOM 24 CB GLN A 2 15.830 33.613 21.466 1.00 0.00 C ATOM 25 CG GLN A 2 17.021 34.496 21.844 1.00 0.00 C ATOM 26 CD GLN A 2 17.663 34.174 23.185 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.036 33.807 24.186 1.00 0.00 O ATOM 28 NE2 GLN A 2 18.986 34.270 23.152 1.00 0.00 N ATOM 0 H GLN A 2 14.143 31.757 21.225 1.00 0.00 H new ATOM 0 HA GLN A 2 17.027 32.239 20.358 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.288 34.092 20.650 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.149 33.566 22.316 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.779 34.409 21.066 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.693 35.536 21.856 1.00 0.00 H new ATOM 0 HE21 GLN A 2 19.454 34.578 22.300 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.535 34.036 23.979 1.00 0.00 H new ATOM 37 N ILE A 3 17.884 30.713 21.875 1.00 0.00 N ATOM 38 CA ILE A 3 18.854 30.182 22.807 1.00 0.00 C ATOM 39 C ILE A 3 20.035 31.155 22.877 1.00 0.00 C ATOM 40 O ILE A 3 20.332 31.846 21.908 1.00 0.00 O ATOM 41 CB ILE A 3 19.152 28.712 22.489 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.814 28.416 21.134 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.800 28.029 22.648 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.794 27.251 21.087 1.00 0.00 C ATOM 0 H ILE A 3 18.239 30.671 20.920 1.00 0.00 H new ATOM 0 HA ILE A 3 18.480 30.127 23.829 1.00 0.00 H new ATOM 0 HB ILE A 3 19.922 28.336 23.163 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.026 28.226 20.405 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.339 29.314 20.809 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.904 26.964 22.441 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.440 28.167 23.668 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.087 28.467 21.950 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.189 27.149 20.076 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.614 27.437 21.780 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.281 26.332 21.370 1.00 0.00 H new ATOM 56 N PHE A 4 20.729 31.094 24.006 1.00 0.00 N ATOM 57 CA PHE A 4 21.984 31.782 24.209 1.00 0.00 C ATOM 58 C PHE A 4 23.070 30.703 24.279 1.00 0.00 C ATOM 59 O PHE A 4 22.876 29.525 24.557 1.00 0.00 O ATOM 60 CB PHE A 4 21.916 32.456 25.578 1.00 0.00 C ATOM 61 CG PHE A 4 20.800 33.423 25.902 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.867 34.716 25.384 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.719 33.090 26.734 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.855 35.648 25.657 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.729 34.016 27.079 1.00 0.00 C ATOM 66 CZ PHE A 4 18.791 35.283 26.489 1.00 0.00 C ATOM 0 H PHE A 4 20.425 30.554 24.816 1.00 0.00 H new ATOM 0 HA PHE A 4 22.185 32.508 23.421 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.882 31.663 26.326 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.856 32.989 25.721 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.706 35.002 24.767 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.650 32.084 27.121 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.897 36.639 25.229 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.944 33.762 27.776 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.001 35.994 26.680 1.00 0.00 H new ATOM 76 N VAL A 5 24.267 31.242 24.044 1.00 0.00 N ATOM 77 CA VAL A 5 25.582 30.680 24.257 1.00 0.00 C ATOM 78 C VAL A 5 26.369 31.619 25.178 1.00 0.00 C ATOM 79 O VAL A 5 26.286 32.824 24.962 1.00 0.00 O ATOM 80 CB VAL A 5 26.191 30.458 22.880 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.719 30.338 22.838 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.529 29.253 22.200 1.00 0.00 C ATOM 0 H VAL A 5 24.335 32.184 23.659 1.00 0.00 H new ATOM 0 HA VAL A 5 25.577 29.716 24.766 1.00 0.00 H new ATOM 0 HB VAL A 5 25.981 31.373 22.327 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.044 30.182 21.809 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.167 31.253 23.225 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.035 29.493 23.450 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.972 29.102 21.215 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.684 28.362 22.808 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.460 29.438 22.093 1.00 0.00 H new ATOM 92 N LYS A 6 27.024 31.008 26.163 1.00 0.00 N ATOM 93 CA LYS A 6 27.795 31.786 27.114 1.00 0.00 C ATOM 94 C LYS A 6 29.281 31.442 27.004 1.00 0.00 C ATOM 95 O LYS A 6 29.601 30.340 26.567 1.00 0.00 O ATOM 96 CB LYS A 6 27.407 31.465 28.556 1.00 0.00 C ATOM 97 CG LYS A 6 27.620 32.614 29.537 1.00 0.00 C ATOM 98 CD LYS A 6 27.493 32.162 30.990 1.00 0.00 C ATOM 99 CE LYS A 6 27.512 33.368 31.933 1.00 0.00 C ATOM 100 NZ LYS A 6 27.470 32.864 33.311 1.00 0.00 N ATOM 0 H LYS A 6 27.034 30.000 26.317 1.00 0.00 H new ATOM 0 HA LYS A 6 27.595 32.832 26.881 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.357 31.173 28.580 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.986 30.605 28.892 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.608 33.047 29.378 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.891 33.400 29.338 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.566 31.604 31.123 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.311 31.486 31.239 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.410 33.964 31.772 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.659 34.018 31.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.482 33.665 33.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.601 32.311 33.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.298 32.259 33.485 1.00 0.00 H new ATOM 114 N THR A 7 30.185 32.323 27.432 1.00 0.00 N ATOM 115 CA THR A 7 31.626 32.205 27.450 1.00 0.00 C ATOM 116 C THR A 7 32.168 32.975 28.658 1.00 0.00 C ATOM 117 O THR A 7 31.478 33.760 29.301 1.00 0.00 O ATOM 118 CB THR A 7 32.185 32.461 26.054 1.00 0.00 C ATOM 119 OG1 THR A 7 33.583 32.339 26.188 1.00 0.00 O ATOM 120 CG2 THR A 7 31.987 33.911 25.587 1.00 0.00 C ATOM 0 H THR A 7 29.887 33.222 27.810 1.00 0.00 H new ATOM 0 HA THR A 7 31.996 31.197 27.636 1.00 0.00 H new ATOM 0 HB THR A 7 31.695 31.781 25.357 1.00 0.00 H new ATOM 0 HG1 THR A 7 34.009 32.491 25.319 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.405 34.032 24.588 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.922 34.144 25.566 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.493 34.587 26.276 1.00 0.00 H new ATOM 128 N LEU A 8 33.391 32.725 29.119 1.00 0.00 N ATOM 129 CA LEU A 8 34.200 33.190 30.229 1.00 0.00 C ATOM 130 C LEU A 8 33.982 34.597 30.795 1.00 0.00 C ATOM 131 O LEU A 8 33.762 34.781 31.990 1.00 0.00 O ATOM 132 CB LEU A 8 35.684 33.011 29.886 1.00 0.00 C ATOM 133 CG LEU A 8 36.151 31.789 29.106 1.00 0.00 C ATOM 134 CD1 LEU A 8 37.604 31.811 28.630 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.855 30.525 29.912 1.00 0.00 C ATOM 0 H LEU A 8 33.943 32.043 28.600 1.00 0.00 H new ATOM 0 HA LEU A 8 33.848 32.557 31.044 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.993 33.891 29.322 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.236 33.024 30.826 1.00 0.00 H new ATOM 0 HG LEU A 8 35.578 31.802 28.179 1.00 0.00 H new ATOM 0 HD11 LEU A 8 37.823 30.891 28.087 1.00 0.00 H new ATOM 0 HD12 LEU A 8 37.758 32.666 27.972 1.00 0.00 H new ATOM 0 HD13 LEU A 8 38.268 31.891 29.491 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.189 29.651 29.353 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.382 30.570 30.865 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.783 30.452 30.093 1.00 0.00 H new ATOM 147 N THR A 9 33.870 35.603 29.940 1.00 0.00 N ATOM 148 CA THR A 9 33.834 37.025 30.214 1.00 0.00 C ATOM 149 C THR A 9 32.474 37.538 30.699 1.00 0.00 C ATOM 150 O THR A 9 32.375 38.637 31.241 1.00 0.00 O ATOM 151 CB THR A 9 34.336 37.826 29.012 1.00 0.00 C ATOM 152 OG1 THR A 9 33.614 37.499 27.849 1.00 0.00 O ATOM 153 CG2 THR A 9 35.813 37.532 28.743 1.00 0.00 C ATOM 0 H THR A 9 33.795 35.421 28.939 1.00 0.00 H new ATOM 0 HA THR A 9 34.514 37.181 31.052 1.00 0.00 H new ATOM 0 HB THR A 9 34.198 38.880 29.252 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.953 38.025 27.095 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.149 38.113 27.884 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.403 37.804 29.618 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.941 36.470 28.535 1.00 0.00 H new ATOM 161 N GLY A 10 31.464 36.713 30.465 1.00 0.00 N ATOM 162 CA GLY A 10 30.069 37.074 30.676 1.00 0.00 C ATOM 163 C GLY A 10 29.324 37.430 29.386 1.00 0.00 C ATOM 164 O GLY A 10 28.092 37.488 29.437 1.00 0.00 O ATOM 0 H GLY A 10 31.591 35.762 30.119 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.558 36.244 31.163 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.022 37.922 31.359 1.00 0.00 H new ATOM 168 N LYS A 11 30.057 37.614 28.296 1.00 0.00 N ATOM 169 CA LYS A 11 29.540 37.884 26.976 1.00 0.00 C ATOM 170 C LYS A 11 28.563 36.740 26.658 1.00 0.00 C ATOM 171 O LYS A 11 28.908 35.571 26.803 1.00 0.00 O ATOM 172 CB LYS A 11 30.771 37.970 26.066 1.00 0.00 C ATOM 173 CG LYS A 11 30.564 37.726 24.570 1.00 0.00 C ATOM 174 CD LYS A 11 31.901 37.733 23.839 1.00 0.00 C ATOM 175 CE LYS A 11 31.759 37.331 22.371 1.00 0.00 C ATOM 176 NZ LYS A 11 32.975 36.756 21.767 1.00 0.00 N ATOM 0 H LYS A 11 31.076 37.576 28.317 1.00 0.00 H new ATOM 0 HA LYS A 11 28.982 38.813 26.855 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.210 38.960 26.187 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.506 37.249 26.425 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.064 36.770 24.417 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.913 38.496 24.157 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.341 38.728 23.900 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.589 37.049 24.336 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.950 36.606 22.284 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.464 38.209 21.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.764 36.436 20.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.723 37.478 21.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.297 35.948 22.337 1.00 0.00 H new ATOM 190 N THR A 12 27.537 36.987 25.855 1.00 0.00 N ATOM 191 CA THR A 12 26.637 36.037 25.233 1.00 0.00 C ATOM 192 C THR A 12 26.425 36.225 23.729 1.00 0.00 C ATOM 193 O THR A 12 26.510 37.328 23.183 1.00 0.00 O ATOM 194 CB THR A 12 25.363 35.789 26.049 1.00 0.00 C ATOM 195 OG1 THR A 12 24.428 36.842 26.055 1.00 0.00 O ATOM 196 CG2 THR A 12 25.581 35.540 27.540 1.00 0.00 C ATOM 0 H THR A 12 27.296 37.945 25.602 1.00 0.00 H new ATOM 0 HA THR A 12 27.173 35.088 25.266 1.00 0.00 H new ATOM 0 HB THR A 12 24.998 34.909 25.520 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.653 36.588 26.599 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.619 35.376 28.026 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.210 34.660 27.674 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.070 36.406 27.986 1.00 0.00 H new ATOM 204 N ILE A 13 26.164 35.111 23.047 1.00 0.00 N ATOM 205 CA ILE A 13 25.952 34.913 21.634 1.00 0.00 C ATOM 206 C ILE A 13 24.518 34.376 21.631 1.00 0.00 C ATOM 207 O ILE A 13 24.146 33.336 22.169 1.00 0.00 O ATOM 208 CB ILE A 13 27.025 33.975 21.065 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.402 34.624 20.936 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.769 33.386 19.676 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.617 33.751 20.608 1.00 0.00 C ATOM 0 H ILE A 13 26.089 34.223 23.544 1.00 0.00 H new ATOM 0 HA ILE A 13 26.048 35.788 20.990 1.00 0.00 H new ATOM 0 HB ILE A 13 26.983 33.187 21.817 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.332 35.390 20.164 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.611 35.136 21.875 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.603 32.743 19.394 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.849 32.802 19.693 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.673 34.194 18.950 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.509 34.375 20.554 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.746 32.999 21.387 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.462 33.257 19.649 1.00 0.00 H new ATOM 223 N THR A 14 23.636 35.134 20.992 1.00 0.00 N ATOM 224 CA THR A 14 22.260 34.866 20.637 1.00 0.00 C ATOM 225 C THR A 14 22.204 34.602 19.126 1.00 0.00 C ATOM 226 O THR A 14 22.694 35.398 18.326 1.00 0.00 O ATOM 227 CB THR A 14 21.395 35.966 21.268 1.00 0.00 C ATOM 228 OG1 THR A 14 20.001 35.848 21.101 1.00 0.00 O ATOM 229 CG2 THR A 14 21.740 37.377 20.787 1.00 0.00 C ATOM 0 H THR A 14 23.909 36.064 20.674 1.00 0.00 H new ATOM 0 HA THR A 14 21.822 33.956 21.046 1.00 0.00 H new ATOM 0 HB THR A 14 21.644 35.814 22.318 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.554 36.599 21.544 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.086 38.099 21.277 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.778 37.602 21.033 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.602 37.437 19.707 1.00 0.00 H new ATOM 237 N LEU A 15 21.706 33.436 18.748 1.00 0.00 N ATOM 238 CA LEU A 15 21.202 33.031 17.453 1.00 0.00 C ATOM 239 C LEU A 15 19.697 32.783 17.579 1.00 0.00 C ATOM 240 O LEU A 15 19.189 32.209 18.531 1.00 0.00 O ATOM 241 CB LEU A 15 21.948 31.714 17.221 1.00 0.00 C ATOM 242 CG LEU A 15 23.471 31.805 17.189 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.176 30.458 17.324 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.912 32.437 15.861 1.00 0.00 C ATOM 0 H LEU A 15 21.640 32.669 19.417 1.00 0.00 H new ATOM 0 HA LEU A 15 21.346 33.753 16.650 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.662 31.014 18.006 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.609 31.289 16.276 1.00 0.00 H new ATOM 0 HG LEU A 15 23.755 32.410 18.050 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.255 30.607 17.292 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.901 29.997 18.273 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.876 29.806 16.504 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.000 32.504 15.833 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.565 31.820 15.032 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.485 33.436 15.774 1.00 0.00 H new ATOM 256 N GLU A 16 18.930 33.291 16.617 1.00 0.00 N ATOM 257 CA GLU A 16 17.529 33.007 16.390 1.00 0.00 C ATOM 258 C GLU A 16 17.622 31.680 15.633 1.00 0.00 C ATOM 259 O GLU A 16 18.099 31.625 14.493 1.00 0.00 O ATOM 260 CB GLU A 16 16.981 34.182 15.578 1.00 0.00 C ATOM 261 CG GLU A 16 15.462 34.246 15.397 1.00 0.00 C ATOM 262 CD GLU A 16 14.818 34.511 16.751 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.142 35.589 17.288 1.00 0.00 O ATOM 264 OE2 GLU A 16 13.926 33.737 17.167 1.00 0.00 O ATOM 0 H GLU A 16 19.301 33.953 15.936 1.00 0.00 H new ATOM 0 HA GLU A 16 16.866 32.911 17.249 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.306 35.106 16.056 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.440 34.156 14.590 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.199 35.035 14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.092 33.310 14.980 1.00 0.00 H new ATOM 271 N VAL A 17 17.204 30.615 16.306 1.00 0.00 N ATOM 272 CA VAL A 17 17.357 29.257 15.817 1.00 0.00 C ATOM 273 C VAL A 17 16.003 28.601 15.534 1.00 0.00 C ATOM 274 O VAL A 17 14.953 28.844 16.119 1.00 0.00 O ATOM 275 CB VAL A 17 18.046 28.369 16.851 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.546 28.676 16.919 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.356 28.185 18.207 1.00 0.00 C ATOM 0 H VAL A 17 16.745 30.674 17.215 1.00 0.00 H new ATOM 0 HA VAL A 17 17.949 29.339 14.906 1.00 0.00 H new ATOM 0 HB VAL A 17 17.928 27.356 16.465 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.016 28.032 17.662 1.00 0.00 H new ATOM 0 HG12 VAL A 17 19.999 28.496 15.944 1.00 0.00 H new ATOM 0 HG13 VAL A 17 19.692 29.719 17.199 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.959 27.531 18.837 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.244 29.154 18.693 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.373 27.739 18.057 1.00 0.00 H new ATOM 287 N GLU A 18 15.993 27.772 14.502 1.00 0.00 N ATOM 288 CA GLU A 18 14.919 27.026 13.872 1.00 0.00 C ATOM 289 C GLU A 18 15.066 25.569 14.343 1.00 0.00 C ATOM 290 O GLU A 18 16.173 25.076 14.175 1.00 0.00 O ATOM 291 CB GLU A 18 15.166 26.900 12.371 1.00 0.00 C ATOM 292 CG GLU A 18 13.908 26.394 11.654 1.00 0.00 C ATOM 293 CD GLU A 18 13.651 27.175 10.369 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.643 27.240 9.603 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.540 27.686 10.095 1.00 0.00 O ATOM 0 H GLU A 18 16.871 27.582 14.018 1.00 0.00 H new ATOM 0 HA GLU A 18 13.973 27.515 14.103 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.458 27.868 11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.994 26.215 12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.020 25.335 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.047 26.486 12.316 1.00 0.00 H new ATOM 302 N PRO A 19 14.072 25.056 15.065 1.00 0.00 N ATOM 303 CA PRO A 19 14.173 23.701 15.567 1.00 0.00 C ATOM 304 C PRO A 19 14.909 22.589 14.811 1.00 0.00 C ATOM 305 O PRO A 19 15.544 21.702 15.386 1.00 0.00 O ATOM 306 CB PRO A 19 12.772 23.237 15.975 1.00 0.00 C ATOM 307 CG PRO A 19 12.064 24.569 16.251 1.00 0.00 C ATOM 308 CD PRO A 19 12.799 25.639 15.442 1.00 0.00 C ATOM 0 HA PRO A 19 14.888 23.833 16.379 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.282 22.671 15.182 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.795 22.596 16.857 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.015 24.517 15.959 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.087 24.805 17.315 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.225 25.924 14.560 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.944 26.543 16.033 1.00 0.00 H new ATOM 316 N SER A 20 14.717 22.523 13.497 1.00 0.00 N ATOM 317 CA SER A 20 15.263 21.630 12.501 1.00 0.00 C ATOM 318 C SER A 20 16.671 21.862 11.941 1.00 0.00 C ATOM 319 O SER A 20 17.188 20.993 11.245 1.00 0.00 O ATOM 320 CB SER A 20 14.237 21.585 11.370 1.00 0.00 C ATOM 321 OG SER A 20 13.929 22.874 10.872 1.00 0.00 O ATOM 0 H SER A 20 14.086 23.191 13.055 1.00 0.00 H new ATOM 0 HA SER A 20 15.429 20.691 13.029 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.621 20.967 10.559 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.324 21.109 11.729 1.00 0.00 H new ATOM 0 HG SER A 20 13.271 22.797 10.150 1.00 0.00 H new ATOM 327 N ASP A 21 17.270 22.991 12.298 1.00 0.00 N ATOM 328 CA ASP A 21 18.644 23.323 11.950 1.00 0.00 C ATOM 329 C ASP A 21 19.670 22.450 12.659 1.00 0.00 C ATOM 330 O ASP A 21 19.570 22.281 13.878 1.00 0.00 O ATOM 331 CB ASP A 21 18.921 24.775 12.341 1.00 0.00 C ATOM 332 CG ASP A 21 19.937 25.506 11.482 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.032 25.069 10.321 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.558 26.509 11.906 1.00 0.00 O ATOM 0 H ASP A 21 16.805 23.714 12.847 1.00 0.00 H new ATOM 0 HA ASP A 21 18.743 23.158 10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.981 25.326 12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.266 24.794 13.375 1.00 0.00 H new ATOM 339 N THR A 22 20.575 21.826 11.908 1.00 0.00 N ATOM 340 CA THR A 22 21.577 20.916 12.430 1.00 0.00 C ATOM 341 C THR A 22 22.685 21.587 13.261 1.00 0.00 C ATOM 342 O THR A 22 23.141 22.670 12.905 1.00 0.00 O ATOM 343 CB THR A 22 22.152 20.007 11.336 1.00 0.00 C ATOM 344 OG1 THR A 22 22.800 20.812 10.381 1.00 0.00 O ATOM 345 CG2 THR A 22 21.175 19.240 10.444 1.00 0.00 C ATOM 0 H THR A 22 20.628 21.946 10.896 1.00 0.00 H new ATOM 0 HA THR A 22 21.039 20.289 13.140 1.00 0.00 H new ATOM 0 HB THR A 22 22.741 19.301 11.921 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.175 20.245 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.733 18.643 9.722 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.560 18.583 11.059 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.535 19.946 9.914 1.00 0.00 H new ATOM 353 N ILE A 23 23.221 20.922 14.281 1.00 0.00 N ATOM 354 CA ILE A 23 24.256 21.403 15.174 1.00 0.00 C ATOM 355 C ILE A 23 25.478 21.942 14.418 1.00 0.00 C ATOM 356 O ILE A 23 26.110 22.881 14.880 1.00 0.00 O ATOM 357 CB ILE A 23 24.451 20.413 16.320 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.280 20.279 17.294 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.732 20.580 17.133 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.020 21.434 18.265 1.00 0.00 C ATOM 0 H ILE A 23 22.922 19.975 14.515 1.00 0.00 H new ATOM 0 HA ILE A 23 23.953 22.313 15.692 1.00 0.00 H new ATOM 0 HB ILE A 23 24.526 19.491 15.743 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.374 20.124 16.708 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.437 19.376 17.883 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.765 19.825 17.919 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.596 20.462 16.479 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.751 21.573 17.583 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.160 21.196 18.891 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.897 21.585 18.895 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.817 22.345 17.701 1.00 0.00 H new ATOM 372 N GLU A 24 25.788 21.399 13.244 1.00 0.00 N ATOM 373 CA GLU A 24 27.024 21.673 12.526 1.00 0.00 C ATOM 374 C GLU A 24 26.842 22.907 11.636 1.00 0.00 C ATOM 375 O GLU A 24 27.680 23.795 11.543 1.00 0.00 O ATOM 376 CB GLU A 24 27.395 20.441 11.694 1.00 0.00 C ATOM 377 CG GLU A 24 26.333 19.916 10.735 1.00 0.00 C ATOM 378 CD GLU A 24 26.644 18.566 10.092 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.830 18.206 9.949 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.625 17.951 9.717 1.00 0.00 O ATOM 0 H GLU A 24 25.174 20.745 12.758 1.00 0.00 H new ATOM 0 HA GLU A 24 27.832 21.881 13.228 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.288 20.678 11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.663 19.636 12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 24 25.389 19.834 11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.186 20.651 9.944 1.00 0.00 H new ATOM 387 N ASN A 25 25.642 23.099 11.104 1.00 0.00 N ATOM 388 CA ASN A 25 25.230 24.351 10.512 1.00 0.00 C ATOM 389 C ASN A 25 25.140 25.566 11.444 1.00 0.00 C ATOM 390 O ASN A 25 25.572 26.678 11.148 1.00 0.00 O ATOM 391 CB ASN A 25 23.821 24.169 9.947 1.00 0.00 C ATOM 392 CG ASN A 25 23.455 25.327 9.033 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.242 25.792 8.216 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.290 25.942 9.262 1.00 0.00 N ATOM 0 H ASN A 25 24.923 22.376 11.074 1.00 0.00 H new ATOM 0 HA ASN A 25 26.011 24.568 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.764 23.231 9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.102 24.102 10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.057 26.797 8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.634 25.556 9.941 1.00 0.00 H new ATOM 401 N VAL A 26 24.707 25.272 12.661 1.00 0.00 N ATOM 402 CA VAL A 26 24.771 26.161 13.803 1.00 0.00 C ATOM 403 C VAL A 26 26.210 26.483 14.178 1.00 0.00 C ATOM 404 O VAL A 26 26.456 27.653 14.468 1.00 0.00 O ATOM 405 CB VAL A 26 24.013 25.541 14.987 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.246 26.265 16.321 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.537 25.401 14.629 1.00 0.00 C ATOM 0 H VAL A 26 24.285 24.371 12.885 1.00 0.00 H new ATOM 0 HA VAL A 26 24.293 27.104 13.535 1.00 0.00 H new ATOM 0 HB VAL A 26 24.423 24.546 15.161 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.678 25.769 17.108 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.307 26.240 16.568 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.918 27.301 16.235 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.999 24.961 15.469 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.122 26.384 14.407 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.434 24.758 13.755 1.00 0.00 H new ATOM 417 N LYS A 27 27.117 25.514 14.314 1.00 0.00 N ATOM 418 CA LYS A 27 28.533 25.698 14.518 1.00 0.00 C ATOM 419 C LYS A 27 29.320 26.498 13.477 1.00 0.00 C ATOM 420 O LYS A 27 30.262 27.221 13.809 1.00 0.00 O ATOM 421 CB LYS A 27 29.168 24.313 14.713 1.00 0.00 C ATOM 422 CG LYS A 27 28.983 23.659 16.078 1.00 0.00 C ATOM 423 CD LYS A 27 29.683 22.297 16.151 1.00 0.00 C ATOM 424 CE LYS A 27 29.743 21.753 17.579 1.00 0.00 C ATOM 425 NZ LYS A 27 30.664 20.612 17.547 1.00 0.00 N ATOM 0 H LYS A 27 26.856 24.529 14.281 1.00 0.00 H new ATOM 0 HA LYS A 27 28.602 26.339 15.397 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.760 23.642 13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.237 24.399 14.519 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.380 24.315 16.853 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.919 23.533 16.281 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.156 21.585 15.515 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.695 22.389 15.756 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.095 22.517 18.272 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.754 21.445 17.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.310 19.862 18.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.731 20.247 16.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.605 20.916 17.868 1.00 0.00 H new ATOM 439 N ALA A 28 28.851 26.458 12.236 1.00 0.00 N ATOM 440 CA ALA A 28 29.338 27.022 10.989 1.00 0.00 C ATOM 441 C ALA A 28 28.781 28.448 10.854 1.00 0.00 C ATOM 442 O ALA A 28 29.347 29.217 10.081 1.00 0.00 O ATOM 443 CB ALA A 28 28.827 26.250 9.774 1.00 0.00 C ATOM 0 H ALA A 28 27.985 25.948 12.060 1.00 0.00 H new ATOM 0 HA ALA A 28 30.427 26.986 11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.216 26.706 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.163 25.215 9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.737 26.278 9.757 1.00 0.00 H new ATOM 449 N LYS A 29 27.738 28.832 11.578 1.00 0.00 N ATOM 450 CA LYS A 29 27.341 30.225 11.620 1.00 0.00 C ATOM 451 C LYS A 29 28.047 30.955 12.773 1.00 0.00 C ATOM 452 O LYS A 29 28.226 32.164 12.666 1.00 0.00 O ATOM 453 CB LYS A 29 25.820 30.206 11.787 1.00 0.00 C ATOM 454 CG LYS A 29 25.029 30.095 10.477 1.00 0.00 C ATOM 455 CD LYS A 29 23.524 30.178 10.762 1.00 0.00 C ATOM 456 CE LYS A 29 23.006 28.771 11.063 1.00 0.00 C ATOM 457 NZ LYS A 29 21.536 28.717 11.093 1.00 0.00 N ATOM 0 H LYS A 29 27.160 28.204 12.137 1.00 0.00 H new ATOM 0 HA LYS A 29 27.624 30.767 10.718 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.550 29.368 12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.514 31.116 12.303 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.323 30.894 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.262 29.153 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.335 30.840 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.999 30.599 9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.378 28.079 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.400 28.438 12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.228 27.736 11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.182 29.319 11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.158 29.058 10.186 1.00 0.00 H new ATOM 471 N ILE A 30 28.437 30.287 13.847 1.00 0.00 N ATOM 472 CA ILE A 30 29.244 30.731 14.966 1.00 0.00 C ATOM 473 C ILE A 30 30.680 30.906 14.476 1.00 0.00 C ATOM 474 O ILE A 30 31.262 31.878 14.964 1.00 0.00 O ATOM 475 CB ILE A 30 29.015 29.772 16.138 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.584 29.724 16.666 1.00 0.00 C ATOM 477 CG2 ILE A 30 29.927 30.195 17.297 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.521 28.535 17.613 1.00 0.00 C ATOM 0 H ILE A 30 28.163 29.312 13.966 1.00 0.00 H new ATOM 0 HA ILE A 30 28.964 31.709 15.358 1.00 0.00 H new ATOM 0 HB ILE A 30 29.237 28.776 15.753 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.329 30.648 17.184 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.871 29.609 15.849 1.00 0.00 H new ATOM 0 HG21 ILE A 30 29.777 29.523 18.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 30.968 30.149 16.976 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.685 31.214 17.597 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.515 28.450 18.024 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.769 27.623 17.069 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.234 28.678 18.425 1.00 0.00 H new ATOM 490 N GLN A 31 31.121 30.120 13.504 1.00 0.00 N ATOM 491 CA GLN A 31 32.403 30.287 12.846 1.00 0.00 C ATOM 492 C GLN A 31 32.599 31.667 12.226 1.00 0.00 C ATOM 493 O GLN A 31 33.672 32.244 12.343 1.00 0.00 O ATOM 494 CB GLN A 31 32.517 29.091 11.897 1.00 0.00 C ATOM 495 CG GLN A 31 33.744 29.118 10.974 1.00 0.00 C ATOM 496 CD GLN A 31 33.874 27.865 10.115 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.892 27.261 9.684 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.135 27.474 9.908 1.00 0.00 N ATOM 0 H GLN A 31 30.583 29.331 13.145 1.00 0.00 H new ATOM 0 HA GLN A 31 33.237 30.277 13.548 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.545 28.176 12.489 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.618 29.045 11.282 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.684 29.992 10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.644 29.232 11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.907 28.018 10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.325 26.631 9.366 1.00 0.00 H new ATOM 507 N ASP A 32 31.547 32.129 11.543 1.00 0.00 N ATOM 508 CA ASP A 32 31.448 33.385 10.844 1.00 0.00 C ATOM 509 C ASP A 32 31.641 34.545 11.824 1.00 0.00 C ATOM 510 O ASP A 32 32.451 35.452 11.628 1.00 0.00 O ATOM 511 CB ASP A 32 30.053 33.406 10.211 1.00 0.00 C ATOM 512 CG ASP A 32 29.791 34.540 9.246 1.00 0.00 C ATOM 513 OD1 ASP A 32 30.562 34.921 8.333 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.732 35.209 9.279 1.00 0.00 O ATOM 0 H ASP A 32 30.688 31.585 11.467 1.00 0.00 H new ATOM 0 HA ASP A 32 32.217 33.493 10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.897 32.463 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.312 33.453 11.009 1.00 0.00 H new ATOM 519 N LYS A 33 30.944 34.487 12.954 1.00 0.00 N ATOM 520 CA LYS A 33 30.955 35.422 14.063 1.00 0.00 C ATOM 521 C LYS A 33 32.320 35.349 14.751 1.00 0.00 C ATOM 522 O LYS A 33 33.041 36.331 14.589 1.00 0.00 O ATOM 523 CB LYS A 33 29.888 35.016 15.084 1.00 0.00 C ATOM 524 CG LYS A 33 28.465 35.064 14.550 1.00 0.00 C ATOM 525 CD LYS A 33 28.097 36.379 13.866 1.00 0.00 C ATOM 526 CE LYS A 33 26.580 36.549 13.751 1.00 0.00 C ATOM 527 NZ LYS A 33 26.142 37.659 12.897 1.00 0.00 N ATOM 0 H LYS A 33 30.301 33.714 13.128 1.00 0.00 H new ATOM 0 HA LYS A 33 30.758 36.428 13.693 1.00 0.00 H new ATOM 0 HB2 LYS A 33 30.100 34.005 15.432 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.961 35.673 15.951 1.00 0.00 H new ATOM 0 HG2 LYS A 33 28.327 34.248 13.841 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.773 34.890 15.374 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.515 37.213 14.430 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.544 36.410 12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.154 35.623 13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.169 36.695 14.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.103 37.695 12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.514 38.554 13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.499 37.515 11.931 1.00 0.00 H new ATOM 541 N GLU A 34 32.656 34.258 15.434 1.00 0.00 N ATOM 542 CA GLU A 34 33.861 34.220 16.227 1.00 0.00 C ATOM 543 C GLU A 34 35.202 33.797 15.614 1.00 0.00 C ATOM 544 O GLU A 34 36.184 34.284 16.149 1.00 0.00 O ATOM 545 CB GLU A 34 33.642 33.365 17.477 1.00 0.00 C ATOM 546 CG GLU A 34 32.420 33.704 18.340 1.00 0.00 C ATOM 547 CD GLU A 34 32.532 34.993 19.136 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.601 35.167 19.755 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.615 35.809 19.373 1.00 0.00 O ATOM 0 H GLU A 34 32.108 33.398 15.449 1.00 0.00 H new ATOM 0 HA GLU A 34 33.998 35.287 16.402 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.560 32.323 17.166 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.532 33.442 18.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.545 33.769 17.694 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.244 32.881 19.033 1.00 0.00 H new ATOM 556 N GLY A 35 35.250 32.889 14.643 1.00 0.00 N ATOM 557 CA GLY A 35 36.408 32.480 13.860 1.00 0.00 C ATOM 558 C GLY A 35 36.946 31.093 14.207 1.00 0.00 C ATOM 559 O GLY A 35 37.911 30.637 13.591 1.00 0.00 O ATOM 0 H GLY A 35 34.411 32.381 14.363 1.00 0.00 H new ATOM 0 HA2 GLY A 35 36.142 32.499 12.803 1.00 0.00 H new ATOM 0 HA3 GLY A 35 37.204 33.211 14.002 1.00 0.00 H new ATOM 563 N ILE A 36 36.235 30.408 15.090 1.00 0.00 N ATOM 564 CA ILE A 36 36.738 29.135 15.570 1.00 0.00 C ATOM 565 C ILE A 36 36.054 28.160 14.607 1.00 0.00 C ATOM 566 O ILE A 36 34.828 28.236 14.519 1.00 0.00 O ATOM 567 CB ILE A 36 36.298 28.908 17.011 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.871 30.071 17.830 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.681 27.566 17.624 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.043 30.204 19.107 1.00 0.00 C ATOM 0 H ILE A 36 35.338 30.701 15.477 1.00 0.00 H new ATOM 0 HA ILE A 36 37.824 29.043 15.584 1.00 0.00 H new ATOM 0 HB ILE A 36 35.209 28.876 17.022 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.918 29.887 18.072 1.00 0.00 H new ATOM 0 HG13 ILE A 36 36.835 30.996 17.255 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.316 27.517 18.650 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.235 26.760 17.042 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.766 27.460 17.619 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.431 31.026 19.708 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.003 30.404 18.847 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.103 29.277 19.678 1.00 0.00 H new ATOM 582 N PRO A 37 36.796 27.193 14.091 1.00 0.00 N ATOM 583 CA PRO A 37 36.175 26.175 13.264 1.00 0.00 C ATOM 584 C PRO A 37 35.466 25.129 14.129 1.00 0.00 C ATOM 585 O PRO A 37 35.873 25.037 15.286 1.00 0.00 O ATOM 586 CB PRO A 37 37.397 25.627 12.531 1.00 0.00 C ATOM 587 CG PRO A 37 38.533 25.854 13.522 1.00 0.00 C ATOM 588 CD PRO A 37 38.240 27.167 14.246 1.00 0.00 C ATOM 0 HA PRO A 37 35.390 26.524 12.593 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.280 24.571 12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.572 26.152 11.592 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.597 25.029 14.231 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.491 25.904 13.005 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.551 27.151 15.290 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.729 28.023 13.781 1.00 0.00 H new ATOM 596 N PRO A 38 34.374 24.524 13.686 1.00 0.00 N ATOM 597 CA PRO A 38 33.464 23.662 14.408 1.00 0.00 C ATOM 598 C PRO A 38 34.037 22.450 15.140 1.00 0.00 C ATOM 599 O PRO A 38 33.580 22.016 16.195 1.00 0.00 O ATOM 600 CB PRO A 38 32.476 23.095 13.384 1.00 0.00 C ATOM 601 CG PRO A 38 32.514 24.098 12.233 1.00 0.00 C ATOM 602 CD PRO A 38 33.851 24.835 12.367 1.00 0.00 C ATOM 0 HA PRO A 38 33.057 24.305 15.188 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.772 22.099 13.054 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.474 23.008 13.803 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.441 23.592 11.270 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.676 24.793 12.292 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.547 24.517 11.591 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.713 25.910 12.250 1.00 0.00 H new ATOM 610 N ASP A 39 35.132 21.877 14.633 1.00 0.00 N ATOM 611 CA ASP A 39 35.891 20.728 15.086 1.00 0.00 C ATOM 612 C ASP A 39 36.463 20.992 16.482 1.00 0.00 C ATOM 613 O ASP A 39 36.568 20.051 17.269 1.00 0.00 O ATOM 614 CB ASP A 39 37.021 20.465 14.097 1.00 0.00 C ATOM 615 CG ASP A 39 38.121 19.504 14.516 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.980 18.310 14.175 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.166 20.041 14.971 1.00 0.00 O ATOM 0 H ASP A 39 35.553 22.264 13.788 1.00 0.00 H new ATOM 0 HA ASP A 39 35.240 19.855 15.141 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.578 20.086 13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.485 21.422 13.857 1.00 0.00 H new ATOM 622 N GLN A 40 36.691 22.260 16.817 1.00 0.00 N ATOM 623 CA GLN A 40 37.165 22.677 18.119 1.00 0.00 C ATOM 624 C GLN A 40 36.031 23.002 19.092 1.00 0.00 C ATOM 625 O GLN A 40 36.299 22.989 20.288 1.00 0.00 O ATOM 626 CB GLN A 40 38.077 23.896 17.951 1.00 0.00 C ATOM 627 CG GLN A 40 39.488 23.476 17.537 1.00 0.00 C ATOM 628 CD GLN A 40 40.241 24.757 17.204 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.092 25.825 17.809 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.116 24.703 16.208 1.00 0.00 N ATOM 0 H GLN A 40 36.546 23.037 16.172 1.00 0.00 H new ATOM 0 HA GLN A 40 37.715 21.841 18.552 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.659 24.566 17.200 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.120 24.453 18.887 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.983 22.933 18.342 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.457 22.809 16.675 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.253 23.831 15.697 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.651 25.533 15.954 1.00 0.00 H new ATOM 639 N GLN A 41 34.772 23.150 18.702 1.00 0.00 N ATOM 640 CA GLN A 41 33.732 23.572 19.619 1.00 0.00 C ATOM 641 C GLN A 41 33.080 22.381 20.321 1.00 0.00 C ATOM 642 O GLN A 41 32.515 21.476 19.717 1.00 0.00 O ATOM 643 CB GLN A 41 32.585 24.208 18.824 1.00 0.00 C ATOM 644 CG GLN A 41 32.890 25.480 18.039 1.00 0.00 C ATOM 645 CD GLN A 41 33.052 26.721 18.899 1.00 0.00 C ATOM 646 OE1 GLN A 41 33.260 26.601 20.104 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.108 27.909 18.304 1.00 0.00 N ATOM 0 H GLN A 41 34.449 22.982 17.749 1.00 0.00 H new ATOM 0 HA GLN A 41 34.203 24.248 20.332 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.208 23.463 18.123 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.776 24.429 19.520 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.804 25.328 17.465 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.088 25.652 17.322 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.932 27.986 17.302 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.327 28.743 18.849 1.00 0.00 H new ATOM 656 N ARG A 42 33.156 22.414 21.650 1.00 0.00 N ATOM 657 CA ARG A 42 32.160 21.783 22.496 1.00 0.00 C ATOM 658 C ARG A 42 31.060 22.824 22.725 1.00 0.00 C ATOM 659 O ARG A 42 31.263 23.788 23.463 1.00 0.00 O ATOM 660 CB ARG A 42 32.691 21.377 23.871 1.00 0.00 C ATOM 661 CG ARG A 42 33.903 20.447 23.811 1.00 0.00 C ATOM 662 CD ARG A 42 33.524 18.990 24.105 1.00 0.00 C ATOM 663 NE ARG A 42 33.604 18.686 25.527 1.00 0.00 N ATOM 664 CZ ARG A 42 33.392 17.545 26.198 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.900 16.486 25.554 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.708 17.531 27.511 1.00 0.00 N ATOM 0 H ARG A 42 33.907 22.877 22.163 1.00 0.00 H new ATOM 0 HA ARG A 42 31.822 20.874 21.997 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.960 22.275 24.426 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.894 20.885 24.428 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.360 20.511 22.824 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.651 20.779 24.531 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.512 18.799 23.749 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.187 18.324 23.553 1.00 0.00 H new ATOM 0 HE ARG A 42 33.867 19.478 26.114 1.00 0.00 H new ATOM 0 HH11 ARG A 42 32.688 16.548 24.558 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.736 15.614 26.057 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.091 18.367 27.952 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.564 16.684 28.061 1.00 0.00 H new ATOM 680 N LEU A 43 29.883 22.606 22.142 1.00 0.00 N ATOM 681 CA LEU A 43 28.631 23.129 22.660 1.00 0.00 C ATOM 682 C LEU A 43 27.911 22.179 23.609 1.00 0.00 C ATOM 683 O LEU A 43 27.167 21.330 23.120 1.00 0.00 O ATOM 684 CB LEU A 43 27.748 23.370 21.439 1.00 0.00 C ATOM 685 CG LEU A 43 27.984 24.657 20.647 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.177 24.606 19.348 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.725 25.910 21.492 1.00 0.00 C ATOM 0 H LEU A 43 29.776 22.056 21.290 1.00 0.00 H new ATOM 0 HA LEU A 43 28.837 24.028 23.241 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.875 22.527 20.759 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.709 23.361 21.767 1.00 0.00 H new ATOM 0 HG LEU A 43 29.037 24.728 20.375 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.343 25.522 18.781 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.496 23.749 18.755 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.117 24.511 19.582 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.905 26.800 20.888 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.691 25.909 21.837 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.394 25.914 22.352 1.00 0.00 H new ATOM 699 N ILE A 44 28.135 22.262 24.916 1.00 0.00 N ATOM 700 CA ILE A 44 27.672 21.387 25.978 1.00 0.00 C ATOM 701 C ILE A 44 26.427 22.067 26.544 1.00 0.00 C ATOM 702 O ILE A 44 26.425 23.297 26.641 1.00 0.00 O ATOM 703 CB ILE A 44 28.621 21.164 27.156 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.025 20.799 26.664 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.090 20.155 28.183 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.066 20.894 27.779 1.00 0.00 C ATOM 0 H ILE A 44 28.703 23.022 25.291 1.00 0.00 H new ATOM 0 HA ILE A 44 27.536 20.402 25.531 1.00 0.00 H new ATOM 0 HB ILE A 44 28.684 22.112 27.690 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.016 19.786 26.262 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.307 21.464 25.847 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.812 20.044 28.992 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.143 20.512 28.588 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.936 19.190 27.699 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.047 20.627 27.385 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.095 21.913 28.164 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.800 20.210 28.585 1.00 0.00 H new ATOM 718 N PHE A 45 25.389 21.274 26.802 1.00 0.00 N ATOM 719 CA PHE A 45 24.101 21.754 27.243 1.00 0.00 C ATOM 720 C PHE A 45 23.849 21.194 28.646 1.00 0.00 C ATOM 721 O PHE A 45 24.862 20.987 29.319 1.00 0.00 O ATOM 722 CB PHE A 45 23.163 21.310 26.120 1.00 0.00 C ATOM 723 CG PHE A 45 21.673 21.503 26.242 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.191 22.762 26.610 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.782 20.421 26.117 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.822 22.915 26.903 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.448 20.535 26.523 1.00 0.00 C ATOM 728 CZ PHE A 45 18.998 21.787 26.965 1.00 0.00 C ATOM 0 H PHE A 45 25.431 20.259 26.705 1.00 0.00 H new ATOM 0 HA PHE A 45 23.977 22.829 27.378 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.480 21.826 25.214 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.337 20.246 25.958 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.860 23.608 26.669 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.133 19.488 25.701 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.411 23.898 27.079 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.784 19.683 26.497 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.997 21.882 27.360 1.00 0.00 H new ATOM 738 N ALA A 46 22.632 20.934 29.095 1.00 0.00 N ATOM 739 CA ALA A 46 22.181 20.270 30.300 1.00 0.00 C ATOM 740 C ALA A 46 22.662 18.828 30.476 1.00 0.00 C ATOM 741 O ALA A 46 21.959 17.822 30.356 1.00 0.00 O ATOM 742 CB ALA A 46 20.665 20.429 30.356 1.00 0.00 C ATOM 0 H ALA A 46 21.828 21.227 28.540 1.00 0.00 H new ATOM 0 HA ALA A 46 22.647 20.750 31.161 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.281 19.941 31.252 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.411 21.489 30.382 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.218 19.971 29.474 1.00 0.00 H new ATOM 748 N GLY A 47 23.984 18.800 30.647 1.00 0.00 N ATOM 749 CA GLY A 47 24.924 17.711 30.560 1.00 0.00 C ATOM 750 C GLY A 47 25.237 17.161 29.164 1.00 0.00 C ATOM 751 O GLY A 47 26.369 16.751 28.912 1.00 0.00 O ATOM 0 H GLY A 47 24.473 19.664 30.881 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.861 18.037 31.012 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.546 16.890 31.169 1.00 0.00 H new ATOM 755 N LYS A 48 24.355 17.357 28.192 1.00 0.00 N ATOM 756 CA LYS A 48 24.404 16.689 26.913 1.00 0.00 C ATOM 757 C LYS A 48 25.357 17.353 25.913 1.00 0.00 C ATOM 758 O LYS A 48 25.324 18.563 25.713 1.00 0.00 O ATOM 759 CB LYS A 48 22.970 16.606 26.381 1.00 0.00 C ATOM 760 CG LYS A 48 22.073 15.649 27.179 1.00 0.00 C ATOM 761 CD LYS A 48 20.663 15.393 26.670 1.00 0.00 C ATOM 762 CE LYS A 48 19.947 14.330 27.503 1.00 0.00 C ATOM 763 NZ LYS A 48 18.524 14.236 27.142 1.00 0.00 N ATOM 0 H LYS A 48 23.570 18.002 28.281 1.00 0.00 H new ATOM 0 HA LYS A 48 24.818 15.690 27.048 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.528 17.602 26.395 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.996 16.284 25.340 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.584 14.688 27.242 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.995 16.035 28.195 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.092 16.321 26.696 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.704 15.073 25.629 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.427 13.363 27.353 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.040 14.571 28.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.066 13.506 27.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.062 15.153 27.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.437 13.982 26.137 1.00 0.00 H new ATOM 777 N GLN A 49 26.212 16.490 25.365 1.00 0.00 N ATOM 778 CA GLN A 49 27.187 16.969 24.409 1.00 0.00 C ATOM 779 C GLN A 49 26.522 16.841 23.041 1.00 0.00 C ATOM 780 O GLN A 49 26.354 15.764 22.471 1.00 0.00 O ATOM 781 CB GLN A 49 28.325 15.967 24.629 1.00 0.00 C ATOM 782 CG GLN A 49 28.910 15.917 26.039 1.00 0.00 C ATOM 783 CD GLN A 49 28.424 14.773 26.922 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.300 14.292 26.785 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.272 14.361 27.858 1.00 0.00 N ATOM 0 H GLN A 49 26.245 15.490 25.563 1.00 0.00 H new ATOM 0 HA GLN A 49 27.540 17.997 24.497 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.961 14.972 24.373 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.129 16.202 23.932 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.995 15.853 25.959 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.682 16.858 26.539 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.195 14.789 27.935 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.000 13.616 28.500 1.00 0.00 H new ATOM 794 N LEU A 50 26.159 17.979 22.468 1.00 0.00 N ATOM 795 CA LEU A 50 25.532 18.165 21.171 1.00 0.00 C ATOM 796 C LEU A 50 26.425 17.739 20.006 1.00 0.00 C ATOM 797 O LEU A 50 27.418 18.379 19.685 1.00 0.00 O ATOM 798 CB LEU A 50 25.179 19.659 21.163 1.00 0.00 C ATOM 799 CG LEU A 50 24.306 20.185 22.306 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.957 21.621 21.922 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.059 19.355 22.600 1.00 0.00 C ATOM 0 H LEU A 50 26.309 18.871 22.940 1.00 0.00 H new ATOM 0 HA LEU A 50 24.655 17.533 21.031 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.111 20.225 21.163 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.672 19.880 20.224 1.00 0.00 H new ATOM 0 HG LEU A 50 24.859 20.123 23.243 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.331 22.063 22.697 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.873 22.203 21.820 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.418 21.623 20.975 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.507 19.807 23.424 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.426 19.323 21.713 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.353 18.341 22.873 1.00 0.00 H new ATOM 813 N GLU A 51 26.076 16.608 19.384 1.00 0.00 N ATOM 814 CA GLU A 51 26.757 15.910 18.312 1.00 0.00 C ATOM 815 C GLU A 51 26.414 16.532 16.948 1.00 0.00 C ATOM 816 O GLU A 51 25.295 16.972 16.700 1.00 0.00 O ATOM 817 CB GLU A 51 26.228 14.486 18.420 1.00 0.00 C ATOM 818 CG GLU A 51 27.067 13.435 17.689 1.00 0.00 C ATOM 819 CD GLU A 51 28.432 13.107 18.272 1.00 0.00 C ATOM 820 OE1 GLU A 51 29.364 13.881 17.961 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.686 12.055 18.898 1.00 0.00 O ATOM 0 H GLU A 51 25.223 16.118 19.653 1.00 0.00 H new ATOM 0 HA GLU A 51 27.843 15.961 18.392 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.168 14.214 19.474 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.212 14.459 18.025 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.488 12.512 17.644 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.210 13.772 16.662 1.00 0.00 H new ATOM 828 N ASP A 52 27.426 16.581 16.083 1.00 0.00 N ATOM 829 CA ASP A 52 27.590 17.182 14.774 1.00 0.00 C ATOM 830 C ASP A 52 26.708 16.456 13.763 1.00 0.00 C ATOM 831 O ASP A 52 26.978 15.314 13.388 1.00 0.00 O ATOM 832 CB ASP A 52 29.032 17.297 14.281 1.00 0.00 C ATOM 833 CG ASP A 52 29.978 17.939 15.284 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.890 19.181 15.442 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.805 17.217 15.889 1.00 0.00 O ATOM 0 H ASP A 52 28.296 16.115 16.341 1.00 0.00 H new ATOM 0 HA ASP A 52 27.269 18.218 14.879 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.401 16.302 14.034 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.045 17.880 13.360 1.00 0.00 H new ATOM 840 N GLY A 53 25.641 17.079 13.258 1.00 0.00 N ATOM 841 CA GLY A 53 24.568 16.577 12.420 1.00 0.00 C ATOM 842 C GLY A 53 23.292 16.271 13.202 1.00 0.00 C ATOM 843 O GLY A 53 22.309 16.148 12.475 1.00 0.00 O ATOM 0 H GLY A 53 25.499 18.069 13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.346 17.311 11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.903 15.672 11.914 1.00 0.00 H new ATOM 847 N ARG A 54 23.186 16.278 14.521 1.00 0.00 N ATOM 848 CA ARG A 54 21.865 16.289 15.114 1.00 0.00 C ATOM 849 C ARG A 54 21.234 17.680 14.979 1.00 0.00 C ATOM 850 O ARG A 54 21.983 18.639 14.820 1.00 0.00 O ATOM 851 CB ARG A 54 21.952 15.880 16.582 1.00 0.00 C ATOM 852 CG ARG A 54 22.474 14.464 16.774 1.00 0.00 C ATOM 853 CD ARG A 54 21.328 13.450 16.827 1.00 0.00 C ATOM 854 NE ARG A 54 21.278 12.684 18.070 1.00 0.00 N ATOM 855 CZ ARG A 54 20.635 11.540 18.331 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.804 11.046 17.399 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.867 10.889 19.480 1.00 0.00 N ATOM 0 H ARG A 54 23.967 16.276 15.177 1.00 0.00 H new ATOM 0 HA ARG A 54 21.233 15.573 14.588 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.604 16.576 17.110 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.964 15.962 17.036 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.150 14.210 15.957 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.053 14.410 17.696 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.383 13.977 16.697 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.426 12.760 15.989 1.00 0.00 H new ATOM 0 HE ARG A 54 21.808 13.076 18.848 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.675 11.541 16.517 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.302 10.175 17.573 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.533 11.266 20.154 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.377 10.017 19.680 1.00 0.00 H new ATOM 871 N THR A 55 19.910 17.749 14.961 1.00 0.00 N ATOM 872 CA THR A 55 19.152 18.984 15.056 1.00 0.00 C ATOM 873 C THR A 55 19.173 19.394 16.531 1.00 0.00 C ATOM 874 O THR A 55 19.512 18.649 17.454 1.00 0.00 O ATOM 875 CB THR A 55 17.814 18.837 14.329 1.00 0.00 C ATOM 876 OG1 THR A 55 17.004 17.863 14.965 1.00 0.00 O ATOM 877 CG2 THR A 55 18.063 18.334 12.899 1.00 0.00 C ATOM 0 H THR A 55 19.319 16.922 14.877 1.00 0.00 H new ATOM 0 HA THR A 55 19.577 19.836 14.525 1.00 0.00 H new ATOM 0 HB THR A 55 17.321 19.809 14.336 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.405 16.977 14.848 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.111 18.229 12.379 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.690 19.049 12.366 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.565 17.367 12.936 1.00 0.00 H new ATOM 885 N LEU A 56 18.482 20.506 16.767 1.00 0.00 N ATOM 886 CA LEU A 56 18.076 20.936 18.096 1.00 0.00 C ATOM 887 C LEU A 56 16.878 20.167 18.641 1.00 0.00 C ATOM 888 O LEU A 56 16.760 19.842 19.819 1.00 0.00 O ATOM 889 CB LEU A 56 17.508 22.353 17.960 1.00 0.00 C ATOM 890 CG LEU A 56 18.333 23.420 17.251 1.00 0.00 C ATOM 891 CD1 LEU A 56 17.702 24.794 17.397 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.769 23.532 17.785 1.00 0.00 C ATOM 0 H LEU A 56 18.185 21.142 16.026 1.00 0.00 H new ATOM 0 HA LEU A 56 18.949 20.812 18.737 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.554 22.275 17.438 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.293 22.718 18.964 1.00 0.00 H new ATOM 0 HG LEU A 56 18.358 23.102 16.209 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.315 25.533 16.880 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.703 24.783 16.962 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.635 25.053 18.454 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.301 24.310 17.237 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.744 23.787 18.845 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.282 22.579 17.653 1.00 0.00 H new ATOM 904 N SER A 57 15.940 19.880 17.738 1.00 0.00 N ATOM 905 CA SER A 57 14.762 19.069 17.970 1.00 0.00 C ATOM 906 C SER A 57 15.132 17.632 18.346 1.00 0.00 C ATOM 907 O SER A 57 14.334 17.140 19.140 1.00 0.00 O ATOM 908 CB SER A 57 13.902 19.170 16.714 1.00 0.00 C ATOM 909 OG SER A 57 12.618 18.597 16.786 1.00 0.00 O ATOM 0 H SER A 57 15.991 20.228 16.780 1.00 0.00 H new ATOM 0 HA SER A 57 14.193 19.432 18.826 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.792 20.224 16.459 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.441 18.698 15.892 1.00 0.00 H new ATOM 0 HG SER A 57 12.156 18.720 15.930 1.00 0.00 H new ATOM 915 N ASP A 58 16.303 17.094 18.011 1.00 0.00 N ATOM 916 CA ASP A 58 16.625 15.748 18.436 1.00 0.00 C ATOM 917 C ASP A 58 16.850 15.738 19.951 1.00 0.00 C ATOM 918 O ASP A 58 16.403 14.806 20.618 1.00 0.00 O ATOM 919 CB ASP A 58 17.955 15.296 17.810 1.00 0.00 C ATOM 920 CG ASP A 58 17.805 14.926 16.344 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.353 13.802 16.043 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.260 15.690 15.467 1.00 0.00 O ATOM 0 H ASP A 58 17.024 17.561 17.460 1.00 0.00 H new ATOM 0 HA ASP A 58 15.806 15.095 18.136 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.690 16.095 17.908 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.341 14.439 18.361 1.00 0.00 H new ATOM 927 N TYR A 59 17.421 16.786 20.512 1.00 0.00 N ATOM 928 CA TYR A 59 17.736 16.998 21.917 1.00 0.00 C ATOM 929 C TYR A 59 16.665 17.903 22.535 1.00 0.00 C ATOM 930 O TYR A 59 16.831 18.395 23.647 1.00 0.00 O ATOM 931 CB TYR A 59 19.119 17.653 22.022 1.00 0.00 C ATOM 932 CG TYR A 59 20.375 16.888 21.673 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.018 16.117 22.648 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.813 16.858 20.339 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.223 15.452 22.380 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.000 16.185 20.048 1.00 0.00 C ATOM 937 CZ TYR A 59 22.643 15.443 21.045 1.00 0.00 C ATOM 938 OH TYR A 59 23.851 14.890 20.743 1.00 0.00 O ATOM 0 H TYR A 59 17.703 17.586 19.946 1.00 0.00 H new ATOM 0 HA TYR A 59 17.751 16.050 22.454 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.100 18.540 21.389 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.231 17.997 23.050 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.576 16.032 23.630 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.246 17.343 19.559 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.795 14.973 23.161 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.422 16.237 19.055 1.00 0.00 H new ATOM 0 HH TYR A 59 24.534 15.245 21.349 1.00 0.00 H new ATOM 948 N ASN A 60 15.583 18.207 21.830 1.00 0.00 N ATOM 949 CA ASN A 60 14.406 18.887 22.324 1.00 0.00 C ATOM 950 C ASN A 60 14.661 20.220 23.037 1.00 0.00 C ATOM 951 O ASN A 60 14.146 20.391 24.149 1.00 0.00 O ATOM 952 CB ASN A 60 13.430 17.951 23.034 1.00 0.00 C ATOM 953 CG ASN A 60 14.023 17.047 24.107 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.448 15.914 23.891 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.868 17.484 25.353 1.00 0.00 N ATOM 0 H ASN A 60 15.505 17.969 20.841 1.00 0.00 H new ATOM 0 HA ASN A 60 13.884 19.213 21.424 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.646 18.556 23.491 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.951 17.323 22.283 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.102 16.878 26.139 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.515 18.426 25.523 1.00 0.00 H new ATOM 962 N ILE A 61 15.487 21.070 22.447 1.00 0.00 N ATOM 963 CA ILE A 61 15.989 22.224 23.168 1.00 0.00 C ATOM 964 C ILE A 61 15.082 23.431 22.923 1.00 0.00 C ATOM 965 O ILE A 61 14.723 23.798 21.806 1.00 0.00 O ATOM 966 CB ILE A 61 17.318 22.637 22.538 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.309 21.493 22.302 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.032 23.697 23.377 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.574 22.006 21.590 1.00 0.00 C ATOM 0 H ILE A 61 15.818 20.984 21.486 1.00 0.00 H new ATOM 0 HA ILE A 61 16.057 21.964 24.224 1.00 0.00 H new ATOM 0 HB ILE A 61 17.024 23.028 21.564 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.581 21.039 23.255 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.838 20.715 21.701 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.973 23.966 22.898 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.401 24.582 23.460 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.232 23.300 24.372 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.264 21.177 21.432 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.300 22.438 20.628 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.055 22.766 22.205 1.00 0.00 H new ATOM 981 N GLN A 62 14.444 23.977 23.951 1.00 0.00 N ATOM 982 CA GLN A 62 13.496 25.074 23.928 1.00 0.00 C ATOM 983 C GLN A 62 14.130 26.410 24.300 1.00 0.00 C ATOM 984 O GLN A 62 15.321 26.517 24.565 1.00 0.00 O ATOM 985 CB GLN A 62 12.433 24.756 24.984 1.00 0.00 C ATOM 986 CG GLN A 62 11.768 23.390 24.798 1.00 0.00 C ATOM 987 CD GLN A 62 10.899 22.764 25.880 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.564 21.585 25.861 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.476 23.485 26.920 1.00 0.00 N ATOM 0 H GLN A 62 14.592 23.632 24.899 1.00 0.00 H new ATOM 0 HA GLN A 62 13.096 25.168 22.918 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.892 24.795 25.972 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.666 25.530 24.959 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.153 23.459 23.901 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.565 22.678 24.584 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.723 24.472 26.991 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.906 23.049 27.645 1.00 0.00 H new ATOM 998 N LYS A 63 13.362 27.476 24.072 1.00 0.00 N ATOM 999 CA LYS A 63 13.699 28.862 24.324 1.00 0.00 C ATOM 1000 C LYS A 63 14.505 29.116 25.594 1.00 0.00 C ATOM 1001 O LYS A 63 14.356 28.288 26.490 1.00 0.00 O ATOM 1002 CB LYS A 63 12.505 29.797 24.115 1.00 0.00 C ATOM 1003 CG LYS A 63 11.478 29.465 25.194 1.00 0.00 C ATOM 1004 CD LYS A 63 10.627 30.644 25.659 1.00 0.00 C ATOM 1005 CE LYS A 63 9.787 30.328 26.901 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.714 31.308 27.120 1.00 0.00 N ATOM 0 H LYS A 63 12.426 27.378 23.679 1.00 0.00 H new ATOM 0 HA LYS A 63 14.418 29.129 23.549 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.815 30.839 24.187 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.078 29.659 23.122 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.816 28.685 24.817 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.000 29.051 26.056 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.278 31.491 25.874 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.965 30.948 24.848 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.351 29.334 26.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.435 30.302 27.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.176 31.049 27.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.128 32.254 27.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.078 31.316 26.297 1.00 0.00 H new ATOM 1020 N GLU A 64 15.319 30.167 25.658 1.00 0.00 N ATOM 1021 CA GLU A 64 15.926 30.639 26.887 1.00 0.00 C ATOM 1022 C GLU A 64 17.118 29.845 27.416 1.00 0.00 C ATOM 1023 O GLU A 64 17.830 30.310 28.304 1.00 0.00 O ATOM 1024 CB GLU A 64 14.879 30.931 27.968 1.00 0.00 C ATOM 1025 CG GLU A 64 13.668 31.788 27.571 1.00 0.00 C ATOM 1026 CD GLU A 64 13.997 33.275 27.495 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.761 33.811 28.321 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.384 34.023 26.693 1.00 0.00 O ATOM 0 H GLU A 64 15.576 30.720 24.840 1.00 0.00 H new ATOM 0 HA GLU A 64 16.388 31.582 26.594 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.507 29.977 28.342 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.383 31.425 28.799 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.293 31.453 26.604 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.867 31.634 28.294 1.00 0.00 H new ATOM 1035 N SER A 65 17.433 28.669 26.873 1.00 0.00 N ATOM 1036 CA SER A 65 18.545 27.820 27.260 1.00 0.00 C ATOM 1037 C SER A 65 19.943 28.411 27.071 1.00 0.00 C ATOM 1038 O SER A 65 20.226 28.851 25.956 1.00 0.00 O ATOM 1039 CB SER A 65 18.463 26.563 26.398 1.00 0.00 C ATOM 1040 OG SER A 65 17.259 25.862 26.663 1.00 0.00 O ATOM 0 H SER A 65 16.886 28.267 26.111 1.00 0.00 H new ATOM 0 HA SER A 65 18.439 27.654 28.332 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.510 26.834 25.343 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.319 25.919 26.600 1.00 0.00 H new ATOM 0 HG SER A 65 16.599 26.072 25.970 1.00 0.00 H new ATOM 1046 N THR A 66 20.799 28.316 28.085 1.00 0.00 N ATOM 1047 CA THR A 66 22.158 28.803 27.996 1.00 0.00 C ATOM 1048 C THR A 66 22.986 27.518 27.966 1.00 0.00 C ATOM 1049 O THR A 66 23.221 26.798 28.930 1.00 0.00 O ATOM 1050 CB THR A 66 22.438 29.639 29.250 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.574 30.749 29.397 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.754 30.395 29.110 1.00 0.00 C ATOM 0 H THR A 66 20.564 27.899 28.986 1.00 0.00 H new ATOM 0 HA THR A 66 22.374 29.436 27.135 1.00 0.00 H new ATOM 0 HB THR A 66 22.368 28.906 30.053 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.805 31.237 30.215 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.934 30.982 30.011 1.00 0.00 H new ATOM 0 HG22 THR A 66 24.569 29.684 28.971 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.702 31.060 28.248 1.00 0.00 H new ATOM 1060 N LEU A 67 23.574 27.296 26.789 1.00 0.00 N ATOM 1061 CA LEU A 67 24.565 26.313 26.400 1.00 0.00 C ATOM 1062 C LEU A 67 25.941 26.860 26.780 1.00 0.00 C ATOM 1063 O LEU A 67 26.276 28.036 26.698 1.00 0.00 O ATOM 1064 CB LEU A 67 24.412 26.115 24.902 1.00 0.00 C ATOM 1065 CG LEU A 67 23.141 25.482 24.318 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.940 26.410 24.550 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.420 24.996 22.902 1.00 0.00 C ATOM 0 H LEU A 67 23.328 27.881 25.990 1.00 0.00 H new ATOM 0 HA LEU A 67 24.442 25.351 26.898 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.525 27.094 24.436 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.254 25.506 24.572 1.00 0.00 H new ATOM 0 HG LEU A 67 22.842 24.572 24.838 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.042 25.954 24.133 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.803 26.568 25.620 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.121 27.368 24.062 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.518 24.547 22.487 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.724 25.839 22.281 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.218 24.254 22.923 1.00 0.00 H new ATOM 1079 N HIS A 68 26.869 25.984 27.165 1.00 0.00 N ATOM 1080 CA HIS A 68 28.229 26.260 27.589 1.00 0.00 C ATOM 1081 C HIS A 68 29.254 25.920 26.493 1.00 0.00 C ATOM 1082 O HIS A 68 29.381 24.743 26.202 1.00 0.00 O ATOM 1083 CB HIS A 68 28.292 25.461 28.893 1.00 0.00 C ATOM 1084 CG HIS A 68 29.656 25.282 29.504 1.00 0.00 C ATOM 1085 ND1 HIS A 68 30.388 26.398 29.925 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.352 24.148 29.790 1.00 0.00 C ATOM 1087 CE1 HIS A 68 31.380 25.830 30.616 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.414 24.491 30.609 1.00 0.00 N ATOM 0 H HIS A 68 26.666 24.985 27.188 1.00 0.00 H new ATOM 0 HA HIS A 68 28.487 27.305 27.760 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.651 25.952 29.626 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.868 24.474 28.709 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.117 23.154 29.439 1.00 0.00 H new ATOM 0 HE1 HIS A 68 32.113 26.417 31.150 1.00 0.00 H new ATOM 0 HE2 HIS A 68 32.066 23.872 31.091 1.00 0.00 H new ATOM 1096 N LEU A 69 29.827 27.014 25.990 1.00 0.00 N ATOM 1097 CA LEU A 69 30.733 26.804 24.878 1.00 0.00 C ATOM 1098 C LEU A 69 32.103 26.613 25.519 1.00 0.00 C ATOM 1099 O LEU A 69 32.501 27.502 26.265 1.00 0.00 O ATOM 1100 CB LEU A 69 30.817 28.140 24.132 1.00 0.00 C ATOM 1101 CG LEU A 69 31.698 28.212 22.892 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.865 28.777 21.734 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.902 29.086 23.240 1.00 0.00 C ATOM 0 H LEU A 69 29.694 27.975 26.306 1.00 0.00 H new ATOM 0 HA LEU A 69 30.430 25.981 24.231 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.806 28.424 23.840 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.169 28.894 24.836 1.00 0.00 H new ATOM 0 HG LEU A 69 32.063 27.234 22.577 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.481 28.835 20.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.013 28.124 21.547 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.508 29.773 21.995 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.559 29.162 22.374 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.559 30.081 23.524 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.448 28.639 24.071 1.00 0.00 H new ATOM 1115 N VAL A 70 32.838 25.569 25.119 1.00 0.00 N ATOM 1116 CA VAL A 70 34.181 25.215 25.507 1.00 0.00 C ATOM 1117 C VAL A 70 34.932 24.537 24.354 1.00 0.00 C ATOM 1118 O VAL A 70 34.388 24.108 23.335 1.00 0.00 O ATOM 1119 CB VAL A 70 34.289 24.569 26.884 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.004 25.470 28.091 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.583 23.218 26.997 1.00 0.00 C ATOM 0 H VAL A 70 32.459 24.896 24.453 1.00 0.00 H new ATOM 0 HA VAL A 70 34.733 26.138 25.682 1.00 0.00 H new ATOM 0 HB VAL A 70 35.360 24.379 26.946 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.114 24.893 29.009 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.708 26.302 28.098 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.987 25.856 28.025 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.707 22.826 28.006 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.521 23.343 26.784 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.016 22.520 26.281 1.00 0.00 H new ATOM 1131 N LEU A 71 36.242 24.369 24.527 1.00 0.00 N ATOM 1132 CA LEU A 71 37.231 23.902 23.581 1.00 0.00 C ATOM 1133 C LEU A 71 37.362 22.384 23.765 1.00 0.00 C ATOM 1134 O LEU A 71 37.490 21.933 24.903 1.00 0.00 O ATOM 1135 CB LEU A 71 38.500 24.623 24.059 1.00 0.00 C ATOM 1136 CG LEU A 71 39.810 24.227 23.374 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.718 24.136 21.858 1.00 0.00 C ATOM 1138 CD2 LEU A 71 41.012 25.031 23.879 1.00 0.00 C ATOM 0 H LEU A 71 36.671 24.581 25.428 1.00 0.00 H new ATOM 0 HA LEU A 71 37.011 24.092 22.531 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.355 25.695 23.924 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.609 24.449 25.129 1.00 0.00 H new ATOM 0 HG LEU A 71 39.997 23.199 23.685 1.00 0.00 H new ATOM 0 HD11 LEU A 71 40.688 23.850 21.451 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.975 23.388 21.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.425 25.105 21.452 1.00 0.00 H new ATOM 0 HD21 LEU A 71 41.912 24.706 23.357 1.00 0.00 H new ATOM 0 HD22 LEU A 71 40.846 26.092 23.690 1.00 0.00 H new ATOM 0 HD23 LEU A 71 41.135 24.868 24.950 1.00 0.00 H new ATOM 1150 N ARG A 72 37.280 21.613 22.688 1.00 0.00 N ATOM 1151 CA ARG A 72 37.463 20.182 22.540 1.00 0.00 C ATOM 1152 C ARG A 72 38.952 19.908 22.757 1.00 0.00 C ATOM 1153 O ARG A 72 39.784 19.932 21.851 1.00 0.00 O ATOM 1154 CB ARG A 72 36.971 19.884 21.121 1.00 0.00 C ATOM 1155 CG ARG A 72 36.798 18.387 20.851 1.00 0.00 C ATOM 1156 CD ARG A 72 36.173 18.024 19.504 1.00 0.00 C ATOM 1157 NE ARG A 72 35.769 16.618 19.486 1.00 0.00 N ATOM 1158 CZ ARG A 72 34.556 16.263 19.043 1.00 0.00 C ATOM 1159 NH1 ARG A 72 33.631 17.012 18.430 1.00 0.00 N ATOM 1160 NH2 ARG A 72 34.113 15.008 19.230 1.00 0.00 N ATOM 0 H ARG A 72 37.055 22.034 21.787 1.00 0.00 H new ATOM 0 HA ARG A 72 36.921 19.550 23.244 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.019 20.389 20.959 1.00 0.00 H new ATOM 0 HB3 ARG A 72 37.678 20.298 20.402 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.775 17.909 20.918 1.00 0.00 H new ATOM 0 HG3 ARG A 72 36.181 17.963 21.643 1.00 0.00 H new ATOM 0 HD2 ARG A 72 35.307 18.659 19.316 1.00 0.00 H new ATOM 0 HD3 ARG A 72 36.887 18.213 18.703 1.00 0.00 H new ATOM 0 HE ARG A 72 36.417 15.902 19.814 1.00 0.00 H new ATOM 0 HH11 ARG A 72 33.814 17.998 18.245 1.00 0.00 H new ATOM 0 HH12 ARG A 72 32.743 16.596 18.148 1.00 0.00 H new ATOM 0 HH21 ARG A 72 34.701 14.326 19.709 1.00 0.00 H new ATOM 0 HH22 ARG A 72 33.189 14.738 18.893 1.00 0.00 H new ATOM 1174 N LEU A 73 39.297 19.515 23.982 1.00 0.00 N ATOM 1175 CA LEU A 73 40.448 18.678 24.293 1.00 0.00 C ATOM 1176 C LEU A 73 39.900 17.256 24.389 1.00 0.00 C ATOM 1177 O LEU A 73 39.308 16.826 25.389 1.00 0.00 O ATOM 1178 CB LEU A 73 40.926 19.028 25.693 1.00 0.00 C ATOM 1179 CG LEU A 73 41.167 20.510 25.980 1.00 0.00 C ATOM 1180 CD1 LEU A 73 41.674 20.756 27.408 1.00 0.00 C ATOM 1181 CD2 LEU A 73 42.147 21.093 24.959 1.00 0.00 C ATOM 0 H LEU A 73 38.764 19.781 24.810 1.00 0.00 H new ATOM 0 HA LEU A 73 41.244 18.799 23.558 1.00 0.00 H new ATOM 0 HB2 LEU A 73 40.191 18.657 26.407 1.00 0.00 H new ATOM 0 HB3 LEU A 73 41.854 18.488 25.882 1.00 0.00 H new ATOM 0 HG LEU A 73 40.206 21.016 25.891 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.829 21.824 27.560 1.00 0.00 H new ATOM 0 HD12 LEU A 73 40.937 20.391 28.124 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.616 20.228 27.556 1.00 0.00 H new ATOM 0 HD21 LEU A 73 42.311 22.149 25.174 1.00 0.00 H new ATOM 0 HD22 LEU A 73 43.095 20.559 25.019 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.734 20.987 23.956 1.00 0.00 H new ATOM 1193 N ARG A 74 40.105 16.451 23.350 1.00 0.00 N ATOM 1194 CA ARG A 74 39.756 15.049 23.197 1.00 0.00 C ATOM 1195 C ARG A 74 38.364 14.971 22.559 1.00 0.00 C ATOM 1196 O ARG A 74 38.180 14.501 21.436 1.00 0.00 O ATOM 1197 CB ARG A 74 40.138 14.184 24.390 1.00 0.00 C ATOM 1198 CG ARG A 74 40.029 12.709 24.007 1.00 0.00 C ATOM 1199 CD ARG A 74 40.538 11.627 24.961 1.00 0.00 C ATOM 1200 NE ARG A 74 40.768 10.321 24.362 1.00 0.00 N ATOM 1201 CZ ARG A 74 41.669 9.382 24.671 1.00 0.00 C ATOM 1202 NH1 ARG A 74 42.544 9.526 25.679 1.00 0.00 N ATOM 1203 NH2 ARG A 74 41.697 8.270 23.929 1.00 0.00 N ATOM 0 H ARG A 74 40.567 16.804 22.512 1.00 0.00 H new ATOM 0 HA ARG A 74 40.388 14.525 22.480 1.00 0.00 H new ATOM 0 HB2 ARG A 74 41.155 14.414 24.708 1.00 0.00 H new ATOM 0 HB3 ARG A 74 39.483 14.401 25.234 1.00 0.00 H new ATOM 0 HG2 ARG A 74 38.976 12.502 23.815 1.00 0.00 H new ATOM 0 HG3 ARG A 74 40.556 12.581 23.062 1.00 0.00 H new ATOM 0 HD2 ARG A 74 41.470 11.971 25.409 1.00 0.00 H new ATOM 0 HD3 ARG A 74 39.818 11.514 25.771 1.00 0.00 H new ATOM 0 HE ARG A 74 40.147 10.086 23.588 1.00 0.00 H new ATOM 0 HH11 ARG A 74 42.538 10.376 26.242 1.00 0.00 H new ATOM 0 HH12 ARG A 74 43.215 8.785 25.881 1.00 0.00 H new ATOM 0 HH21 ARG A 74 41.043 8.157 23.154 1.00 0.00 H new ATOM 0 HH22 ARG A 74 42.372 7.534 24.138 1.00 0.00 H new ATOM 1217 N GLY A 75 37.360 15.462 23.282 1.00 0.00 N ATOM 1218 CA GLY A 75 35.954 15.665 22.990 1.00 0.00 C ATOM 1219 C GLY A 75 35.107 14.433 23.296 1.00 0.00 C ATOM 1220 O GLY A 75 35.571 13.386 23.753 1.00 0.00 O ATOM 0 H GLY A 75 37.554 15.773 24.234 1.00 0.00 H new ATOM 0 HA2 GLY A 75 35.584 16.509 23.572 1.00 0.00 H new ATOM 0 HA3 GLY A 75 35.839 15.928 21.938 1.00 0.00 H new ATOM 1224 N GLY A 76 33.832 14.529 22.931 1.00 0.00 N ATOM 1225 CA GLY A 76 32.690 13.675 23.165 1.00 0.00 C ATOM 1226 C GLY A 76 31.551 14.554 22.666 1.00 0.00 C ATOM 1227 O GLY A 76 31.660 15.789 22.865 1.00 0.00 O ATOM 1228 OXT GLY A 76 30.552 14.006 22.156 1.00 0.00 O ATOM 0 H GLY A 76 33.543 15.337 22.379 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.758 12.738 22.613 1.00 0.00 H new ATOM 0 HA3 GLY A 76 32.579 13.417 24.218 1.00 0.00 H new TER 1232 GLY A 76