USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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= 0.762 K(o=1.7,f=0.54) USER MOD Set 1.2: A 14 THR OG1 : rot 25:sc= 0.905 USER MOD Single : A 1 MET CE :methyl -122:sc= 0 (180deg=-0.0997) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.42 (180deg=2.26) 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= 0.00204 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 0.989 (180deg=0.564) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 25 ASN : amide:sc= 1.2 K(o=1.2,f=-0.54) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0.369 (180deg=0.154) USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0.245) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.4) USER MOD Single : A 41 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.21) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.285 K(o=0.28,f=-4.8!) USER MOD Single : A 55 THR OG1 : rot -29:sc= 1.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 174:sc= 0.128 USER MOD Single : A 60 ASN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0089 X(o=-0.0089,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -118:sc= 0.152 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc=-0.00209 X(o=-0.0021,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.062 30.685 15.689 1.00 0.00 N ATOM 2 CA MET A 1 13.875 30.685 17.150 1.00 0.00 C ATOM 3 C MET A 1 15.194 31.124 17.781 1.00 0.00 C ATOM 4 O MET A 1 16.258 30.892 17.212 1.00 0.00 O ATOM 5 CB MET A 1 13.413 29.291 17.597 1.00 0.00 C ATOM 6 CG MET A 1 13.216 28.935 19.073 1.00 0.00 C ATOM 7 SD MET A 1 12.589 27.265 19.378 1.00 0.00 S ATOM 8 CE MET A 1 14.128 26.360 19.076 1.00 0.00 C ATOM 0 H1 MET A 1 13.137 30.607 15.221 1.00 0.00 H new ATOM 0 H2 MET A 1 14.524 31.570 15.398 1.00 0.00 H new ATOM 0 H3 MET A 1 14.657 29.877 15.415 1.00 0.00 H new ATOM 0 HA MET A 1 13.101 31.381 17.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.463 29.100 17.098 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.133 28.578 17.195 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.169 29.049 19.589 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.526 29.653 19.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.972 25.634 18.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.910 27.060 18.782 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.429 25.841 19.986 1.00 0.00 H new ATOM 20 N GLN A 2 15.131 31.804 18.922 1.00 0.00 N ATOM 21 CA GLN A 2 16.268 32.391 19.614 1.00 0.00 C ATOM 22 C GLN A 2 16.767 31.238 20.487 1.00 0.00 C ATOM 23 O GLN A 2 16.061 30.466 21.133 1.00 0.00 O ATOM 24 CB GLN A 2 15.825 33.594 20.449 1.00 0.00 C ATOM 25 CG GLN A 2 16.976 34.410 21.034 1.00 0.00 C ATOM 26 CD GLN A 2 16.496 35.644 21.782 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.417 35.621 22.357 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.408 36.610 21.885 1.00 0.00 N ATOM 0 H GLN A 2 14.249 31.966 19.408 1.00 0.00 H new ATOM 0 HA GLN A 2 17.041 32.776 18.949 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.211 34.246 19.828 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.193 33.243 21.264 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.555 33.782 21.711 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.646 34.715 20.230 1.00 0.00 H new ATOM 0 HE21 GLN A 2 18.283 36.543 21.365 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.231 37.417 22.484 1.00 0.00 H new ATOM 37 N ILE A 3 18.071 31.320 20.740 1.00 0.00 N ATOM 38 CA ILE A 3 18.918 30.588 21.655 1.00 0.00 C ATOM 39 C ILE A 3 20.057 31.524 22.057 1.00 0.00 C ATOM 40 O ILE A 3 20.298 32.561 21.448 1.00 0.00 O ATOM 41 CB ILE A 3 19.418 29.248 21.129 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.262 29.278 19.846 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.268 28.249 21.098 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.850 27.910 19.487 1.00 0.00 C ATOM 0 H ILE A 3 18.629 32.004 20.228 1.00 0.00 H new ATOM 0 HA ILE A 3 18.326 30.297 22.523 1.00 0.00 H new ATOM 0 HB ILE A 3 20.166 28.907 21.845 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.645 29.631 19.020 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.073 29.996 19.967 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.628 27.291 20.721 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.873 28.118 22.105 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.479 28.622 20.445 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.436 27.995 18.572 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.492 27.566 20.298 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.041 27.195 19.335 1.00 0.00 H new ATOM 56 N PHE A 4 20.800 31.220 23.123 1.00 0.00 N ATOM 57 CA PHE A 4 22.068 31.763 23.570 1.00 0.00 C ATOM 58 C PHE A 4 23.172 30.708 23.604 1.00 0.00 C ATOM 59 O PHE A 4 22.994 29.508 23.841 1.00 0.00 O ATOM 60 CB PHE A 4 21.792 32.451 24.897 1.00 0.00 C ATOM 61 CG PHE A 4 21.121 33.815 24.853 1.00 0.00 C ATOM 62 CD1 PHE A 4 19.747 34.022 24.724 1.00 0.00 C ATOM 63 CD2 PHE A 4 21.980 34.922 24.904 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.190 35.282 24.497 1.00 0.00 C ATOM 65 CE2 PHE A 4 21.433 36.205 24.889 1.00 0.00 C ATOM 66 CZ PHE A 4 20.053 36.366 24.673 1.00 0.00 C ATOM 0 H PHE A 4 20.480 30.497 23.767 1.00 0.00 H new ATOM 0 HA PHE A 4 22.467 32.496 22.868 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.168 31.788 25.496 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.740 32.559 25.424 1.00 0.00 H new ATOM 0 HD1 PHE A 4 19.086 33.171 24.803 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.050 34.783 24.954 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.158 35.410 24.204 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.064 37.068 25.042 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.645 37.365 24.642 1.00 0.00 H new ATOM 76 N VAL A 5 24.340 31.209 23.191 1.00 0.00 N ATOM 77 CA VAL A 5 25.591 30.545 23.485 1.00 0.00 C ATOM 78 C VAL A 5 26.303 31.313 24.605 1.00 0.00 C ATOM 79 O VAL A 5 26.358 32.541 24.676 1.00 0.00 O ATOM 80 CB VAL A 5 26.501 30.436 22.260 1.00 0.00 C ATOM 81 CG1 VAL A 5 25.909 29.518 21.197 1.00 0.00 C ATOM 82 CG2 VAL A 5 26.770 31.756 21.547 1.00 0.00 C ATOM 0 H VAL A 5 24.434 32.071 22.654 1.00 0.00 H new ATOM 0 HA VAL A 5 25.368 29.525 23.799 1.00 0.00 H new ATOM 0 HB VAL A 5 27.430 30.050 22.680 1.00 0.00 H new ATOM 0 HG11 VAL A 5 26.585 29.467 20.343 1.00 0.00 H new ATOM 0 HG12 VAL A 5 25.773 28.520 21.613 1.00 0.00 H new ATOM 0 HG13 VAL A 5 24.945 29.910 20.874 1.00 0.00 H new ATOM 0 HG21 VAL A 5 27.424 31.581 20.692 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.828 32.182 21.202 1.00 0.00 H new ATOM 0 HG23 VAL A 5 27.251 32.450 22.236 1.00 0.00 H new ATOM 92 N LYS A 6 27.115 30.661 25.428 1.00 0.00 N ATOM 93 CA LYS A 6 27.929 31.209 26.502 1.00 0.00 C ATOM 94 C LYS A 6 29.265 30.460 26.473 1.00 0.00 C ATOM 95 O LYS A 6 29.389 29.439 25.792 1.00 0.00 O ATOM 96 CB LYS A 6 27.094 31.121 27.788 1.00 0.00 C ATOM 97 CG LYS A 6 27.553 31.886 29.022 1.00 0.00 C ATOM 98 CD LYS A 6 26.550 31.866 30.177 1.00 0.00 C ATOM 99 CE LYS A 6 27.088 32.553 31.430 1.00 0.00 C ATOM 100 NZ LYS A 6 26.282 32.221 32.618 1.00 0.00 N ATOM 0 H LYS A 6 27.229 29.650 25.353 1.00 0.00 H new ATOM 0 HA LYS A 6 28.193 32.263 26.411 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.085 31.458 27.549 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.022 30.068 28.062 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.497 31.465 29.367 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.749 32.921 28.743 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.630 32.358 29.863 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.294 30.833 30.414 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.122 32.252 31.595 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.090 33.633 31.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.675 32.704 33.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.300 32.531 32.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.300 31.193 32.774 1.00 0.00 H new ATOM 114 N THR A 7 30.316 31.076 27.007 1.00 0.00 N ATOM 115 CA THR A 7 31.693 30.631 27.054 1.00 0.00 C ATOM 116 C THR A 7 32.263 31.045 28.406 1.00 0.00 C ATOM 117 O THR A 7 31.747 31.916 29.103 1.00 0.00 O ATOM 118 CB THR A 7 32.361 31.006 25.720 1.00 0.00 C ATOM 119 OG1 THR A 7 33.734 30.798 25.477 1.00 0.00 O ATOM 120 CG2 THR A 7 32.170 32.502 25.464 1.00 0.00 C ATOM 0 H THR A 7 30.207 31.984 27.458 1.00 0.00 H new ATOM 0 HA THR A 7 31.880 29.557 27.071 1.00 0.00 H new ATOM 0 HB THR A 7 31.854 30.289 25.075 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.956 31.102 24.572 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.642 32.773 24.519 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.105 32.730 25.416 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.627 33.071 26.274 1.00 0.00 H new ATOM 128 N LEU A 8 33.252 30.301 28.895 1.00 0.00 N ATOM 129 CA LEU A 8 33.887 30.307 30.197 1.00 0.00 C ATOM 130 C LEU A 8 34.617 31.578 30.646 1.00 0.00 C ATOM 131 O LEU A 8 34.976 31.524 31.814 1.00 0.00 O ATOM 132 CB LEU A 8 34.931 29.196 30.292 1.00 0.00 C ATOM 133 CG LEU A 8 34.310 27.815 30.125 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.247 26.628 29.882 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.625 27.468 31.450 1.00 0.00 C ATOM 0 H LEU A 8 33.677 29.588 28.303 1.00 0.00 H new ATOM 0 HA LEU A 8 33.022 30.190 30.849 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.692 29.347 29.526 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.435 29.253 31.257 1.00 0.00 H new ATOM 0 HG LEU A 8 33.687 27.918 29.236 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.660 25.715 29.784 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.815 26.794 28.967 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.934 26.529 30.722 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.165 26.483 31.375 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.364 27.463 32.251 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.858 28.211 31.668 1.00 0.00 H new ATOM 147 N THR A 9 34.841 32.623 29.855 1.00 0.00 N ATOM 148 CA THR A 9 35.273 33.903 30.367 1.00 0.00 C ATOM 149 C THR A 9 34.054 34.638 30.927 1.00 0.00 C ATOM 150 O THR A 9 34.220 35.652 31.600 1.00 0.00 O ATOM 151 CB THR A 9 35.794 34.750 29.201 1.00 0.00 C ATOM 152 OG1 THR A 9 34.777 34.876 28.228 1.00 0.00 O ATOM 153 CG2 THR A 9 37.128 34.354 28.582 1.00 0.00 C ATOM 0 H THR A 9 34.726 32.598 28.842 1.00 0.00 H new ATOM 0 HA THR A 9 36.040 33.754 31.127 1.00 0.00 H new ATOM 0 HB THR A 9 36.039 35.714 29.646 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.105 35.419 27.481 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.370 35.040 27.770 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.909 34.400 29.341 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.061 33.339 28.191 1.00 0.00 H new ATOM 161 N GLY A 10 32.819 34.296 30.556 1.00 0.00 N ATOM 162 CA GLY A 10 31.561 34.923 30.909 1.00 0.00 C ATOM 163 C GLY A 10 30.864 35.551 29.709 1.00 0.00 C ATOM 164 O GLY A 10 29.808 36.157 29.859 1.00 0.00 O ATOM 0 H GLY A 10 32.669 33.495 29.942 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.903 34.180 31.360 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.740 35.689 31.663 1.00 0.00 H new ATOM 168 N LYS A 11 31.411 35.519 28.493 1.00 0.00 N ATOM 169 CA LYS A 11 30.902 36.187 27.316 1.00 0.00 C ATOM 170 C LYS A 11 29.651 35.482 26.807 1.00 0.00 C ATOM 171 O LYS A 11 29.671 34.256 26.749 1.00 0.00 O ATOM 172 CB LYS A 11 32.093 36.044 26.357 1.00 0.00 C ATOM 173 CG LYS A 11 31.932 37.032 25.211 1.00 0.00 C ATOM 174 CD LYS A 11 33.143 37.188 24.292 1.00 0.00 C ATOM 175 CE LYS A 11 32.844 38.069 23.075 1.00 0.00 C ATOM 176 NZ LYS A 11 33.915 38.487 22.156 1.00 0.00 N ATOM 0 H LYS A 11 32.266 34.996 28.303 1.00 0.00 H new ATOM 0 HA LYS A 11 30.591 37.221 27.463 1.00 0.00 H new ATOM 0 HB2 LYS A 11 33.027 36.232 26.887 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.145 35.026 25.971 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.079 36.723 24.607 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.689 38.009 25.630 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.970 37.620 24.856 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.468 36.204 23.954 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.098 37.544 22.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.372 38.978 23.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.592 39.300 21.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.757 38.757 22.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.154 37.699 21.520 1.00 0.00 H new ATOM 190 N THR A 12 28.666 36.225 26.297 1.00 0.00 N ATOM 191 CA THR A 12 27.407 35.749 25.759 1.00 0.00 C ATOM 192 C THR A 12 26.997 36.405 24.435 1.00 0.00 C ATOM 193 O THR A 12 27.323 37.555 24.178 1.00 0.00 O ATOM 194 CB THR A 12 26.216 35.811 26.715 1.00 0.00 C ATOM 195 OG1 THR A 12 26.159 37.099 27.272 1.00 0.00 O ATOM 196 CG2 THR A 12 26.319 34.805 27.867 1.00 0.00 C ATOM 0 H THR A 12 28.740 37.241 26.250 1.00 0.00 H new ATOM 0 HA THR A 12 27.642 34.699 25.583 1.00 0.00 H new ATOM 0 HB THR A 12 25.325 35.567 26.137 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.398 37.156 27.887 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.444 34.898 28.511 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.367 33.794 27.464 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.219 35.007 28.447 1.00 0.00 H new ATOM 204 N ILE A 13 26.385 35.634 23.538 1.00 0.00 N ATOM 205 CA ILE A 13 25.891 35.912 22.207 1.00 0.00 C ATOM 206 C ILE A 13 24.547 35.228 21.998 1.00 0.00 C ATOM 207 O ILE A 13 24.354 34.099 22.458 1.00 0.00 O ATOM 208 CB ILE A 13 27.023 35.477 21.269 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.336 36.240 21.158 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.617 35.205 19.822 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.653 35.461 21.198 1.00 0.00 C ATOM 0 H ILE A 13 26.203 34.658 23.773 1.00 0.00 H new ATOM 0 HA ILE A 13 25.668 36.961 22.013 1.00 0.00 H new ATOM 0 HB ILE A 13 27.231 34.589 21.867 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.313 36.800 20.223 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.361 36.971 21.966 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.494 34.905 19.248 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.876 34.406 19.796 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.191 36.109 19.387 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.489 36.155 21.107 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.729 34.923 22.143 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.680 34.750 20.373 1.00 0.00 H new ATOM 223 N THR A 14 23.679 35.927 21.267 1.00 0.00 N ATOM 224 CA THR A 14 22.414 35.423 20.774 1.00 0.00 C ATOM 225 C THR A 14 22.455 35.035 19.301 1.00 0.00 C ATOM 226 O THR A 14 23.119 35.744 18.537 1.00 0.00 O ATOM 227 CB THR A 14 21.186 36.274 21.078 1.00 0.00 C ATOM 228 OG1 THR A 14 19.937 35.633 21.017 1.00 0.00 O ATOM 229 CG2 THR A 14 21.035 37.509 20.185 1.00 0.00 C ATOM 0 H THR A 14 23.852 36.895 20.996 1.00 0.00 H new ATOM 0 HA THR A 14 22.282 34.518 21.367 1.00 0.00 H new ATOM 0 HB THR A 14 21.414 36.534 22.112 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.055 34.672 21.167 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.136 38.056 20.470 1.00 0.00 H new ATOM 0 HG22 THR A 14 21.906 38.154 20.305 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.955 37.197 19.144 1.00 0.00 H new ATOM 237 N LEU A 15 21.815 33.934 18.928 1.00 0.00 N ATOM 238 CA LEU A 15 21.712 33.449 17.571 1.00 0.00 C ATOM 239 C LEU A 15 20.246 33.147 17.254 1.00 0.00 C ATOM 240 O LEU A 15 19.460 32.934 18.177 1.00 0.00 O ATOM 241 CB LEU A 15 22.499 32.151 17.374 1.00 0.00 C ATOM 242 CG LEU A 15 23.942 32.257 17.861 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.394 30.835 18.201 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.816 32.816 16.739 1.00 0.00 C ATOM 0 H LEU A 15 21.335 33.333 19.598 1.00 0.00 H new ATOM 0 HA LEU A 15 22.117 34.220 16.915 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.998 31.343 17.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.495 31.886 16.317 1.00 0.00 H new ATOM 0 HG LEU A 15 24.023 32.916 18.726 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.424 30.856 18.556 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.750 30.425 18.979 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.330 30.210 17.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.847 32.893 17.085 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.771 32.151 15.877 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.455 33.804 16.454 1.00 0.00 H new ATOM 256 N GLU A 16 19.853 33.261 15.985 1.00 0.00 N ATOM 257 CA GLU A 16 18.527 32.901 15.535 1.00 0.00 C ATOM 258 C GLU A 16 18.612 31.632 14.690 1.00 0.00 C ATOM 259 O GLU A 16 19.275 31.617 13.652 1.00 0.00 O ATOM 260 CB GLU A 16 18.035 33.989 14.574 1.00 0.00 C ATOM 261 CG GLU A 16 16.574 33.853 14.126 1.00 0.00 C ATOM 262 CD GLU A 16 15.605 33.980 15.290 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.865 34.760 16.241 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.572 33.278 15.348 1.00 0.00 O ATOM 0 H GLU A 16 20.458 33.610 15.242 1.00 0.00 H new ATOM 0 HA GLU A 16 17.877 32.774 16.401 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.162 34.960 15.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.672 33.985 13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.350 34.619 13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.432 32.887 13.641 1.00 0.00 H new ATOM 271 N VAL A 17 17.967 30.554 15.122 1.00 0.00 N ATOM 272 CA VAL A 17 18.111 29.228 14.557 1.00 0.00 C ATOM 273 C VAL A 17 16.796 28.451 14.411 1.00 0.00 C ATOM 274 O VAL A 17 15.942 28.621 15.275 1.00 0.00 O ATOM 275 CB VAL A 17 19.141 28.339 15.245 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.602 27.149 14.405 1.00 0.00 C ATOM 277 CG2 VAL A 17 20.384 29.092 15.710 1.00 0.00 C ATOM 0 H VAL A 17 17.309 30.586 15.901 1.00 0.00 H new ATOM 0 HA VAL A 17 18.486 29.461 13.560 1.00 0.00 H new ATOM 0 HB VAL A 17 18.593 27.969 16.111 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.333 26.568 14.967 1.00 0.00 H new ATOM 0 HG12 VAL A 17 18.745 26.519 14.166 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.057 27.509 13.482 1.00 0.00 H new ATOM 0 HG21 VAL A 17 21.072 28.396 16.190 1.00 0.00 H new ATOM 0 HG22 VAL A 17 20.873 29.552 14.851 1.00 0.00 H new ATOM 0 HG23 VAL A 17 20.096 29.866 16.421 1.00 0.00 H new ATOM 287 N GLU A 18 16.614 27.736 13.312 1.00 0.00 N ATOM 288 CA GLU A 18 15.444 26.916 13.094 1.00 0.00 C ATOM 289 C GLU A 18 15.640 25.655 13.947 1.00 0.00 C ATOM 290 O GLU A 18 16.718 25.079 14.099 1.00 0.00 O ATOM 291 CB GLU A 18 15.424 26.570 11.611 1.00 0.00 C ATOM 292 CG GLU A 18 14.146 25.871 11.119 1.00 0.00 C ATOM 293 CD GLU A 18 12.983 26.839 10.972 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.065 28.029 11.370 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.952 26.331 10.495 1.00 0.00 O ATOM 0 H GLU A 18 17.283 27.712 12.542 1.00 0.00 H new ATOM 0 HA GLU A 18 14.508 27.404 13.365 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.561 27.487 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.277 25.928 11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.342 25.393 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.873 25.081 11.819 1.00 0.00 H new ATOM 302 N PRO A 19 14.575 25.129 14.544 1.00 0.00 N ATOM 303 CA PRO A 19 14.583 23.928 15.344 1.00 0.00 C ATOM 304 C PRO A 19 15.063 22.647 14.652 1.00 0.00 C ATOM 305 O PRO A 19 15.621 21.743 15.281 1.00 0.00 O ATOM 306 CB PRO A 19 13.170 23.763 15.920 1.00 0.00 C ATOM 307 CG PRO A 19 12.356 24.948 15.421 1.00 0.00 C ATOM 308 CD PRO A 19 13.283 25.792 14.539 1.00 0.00 C ATOM 0 HA PRO A 19 15.337 24.064 16.119 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.726 22.823 15.593 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.196 23.742 17.009 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.489 24.608 14.854 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.979 25.536 16.258 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.890 25.868 13.525 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.367 26.808 14.925 1.00 0.00 H new ATOM 316 N SER A 20 14.722 22.515 13.373 1.00 0.00 N ATOM 317 CA SER A 20 15.161 21.375 12.595 1.00 0.00 C ATOM 318 C SER A 20 16.647 21.390 12.222 1.00 0.00 C ATOM 319 O SER A 20 17.165 20.473 11.590 1.00 0.00 O ATOM 320 CB SER A 20 14.279 21.466 11.355 1.00 0.00 C ATOM 321 OG SER A 20 14.210 22.684 10.651 1.00 0.00 O ATOM 0 H SER A 20 14.146 23.183 12.861 1.00 0.00 H new ATOM 0 HA SER A 20 15.065 20.447 13.158 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.616 20.701 10.655 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.265 21.201 11.653 1.00 0.00 H new ATOM 0 HG SER A 20 13.609 22.585 9.884 1.00 0.00 H new ATOM 327 N ASP A 21 17.396 22.475 12.363 1.00 0.00 N ATOM 328 CA ASP A 21 18.785 22.514 11.949 1.00 0.00 C ATOM 329 C ASP A 21 19.706 21.701 12.864 1.00 0.00 C ATOM 330 O ASP A 21 19.558 21.644 14.083 1.00 0.00 O ATOM 331 CB ASP A 21 19.192 23.991 12.066 1.00 0.00 C ATOM 332 CG ASP A 21 20.461 24.358 11.321 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.856 23.687 10.345 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.926 25.479 11.632 1.00 0.00 O ATOM 0 H ASP A 21 17.056 23.348 12.766 1.00 0.00 H new ATOM 0 HA ASP A 21 18.881 22.093 10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.376 24.610 11.693 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.322 24.236 13.120 1.00 0.00 H new ATOM 339 N THR A 22 20.674 21.016 12.246 1.00 0.00 N ATOM 340 CA THR A 22 21.635 20.209 12.954 1.00 0.00 C ATOM 341 C THR A 22 22.683 21.029 13.709 1.00 0.00 C ATOM 342 O THR A 22 23.245 21.977 13.165 1.00 0.00 O ATOM 343 CB THR A 22 22.249 19.245 11.942 1.00 0.00 C ATOM 344 OG1 THR A 22 22.837 20.009 10.913 1.00 0.00 O ATOM 345 CG2 THR A 22 21.405 18.112 11.363 1.00 0.00 C ATOM 0 H THR A 22 20.801 21.015 11.234 1.00 0.00 H new ATOM 0 HA THR A 22 21.132 19.653 13.745 1.00 0.00 H new ATOM 0 HB THR A 22 22.963 18.673 12.534 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.240 19.410 10.250 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.006 17.531 10.663 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.062 17.465 12.170 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.544 18.530 10.842 1.00 0.00 H new ATOM 353 N ILE A 23 22.943 20.629 14.953 1.00 0.00 N ATOM 354 CA ILE A 23 23.877 21.170 15.926 1.00 0.00 C ATOM 355 C ILE A 23 25.242 21.405 15.283 1.00 0.00 C ATOM 356 O ILE A 23 25.849 22.392 15.706 1.00 0.00 O ATOM 357 CB ILE A 23 23.855 20.376 17.234 1.00 0.00 C ATOM 358 CG1 ILE A 23 22.446 20.375 17.835 1.00 0.00 C ATOM 359 CG2 ILE A 23 24.940 20.858 18.196 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.019 21.737 18.373 1.00 0.00 C ATOM 0 H ILE A 23 22.446 19.828 15.342 1.00 0.00 H new ATOM 0 HA ILE A 23 23.558 22.163 16.244 1.00 0.00 H new ATOM 0 HB ILE A 23 24.099 19.334 17.025 1.00 0.00 H new ATOM 0 HG12 ILE A 23 21.734 20.053 17.075 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.403 19.644 18.642 1.00 0.00 H new ATOM 0 HG21 ILE A 23 24.897 20.274 19.115 1.00 0.00 H new ATOM 0 HG22 ILE A 23 25.919 20.734 17.732 1.00 0.00 H new ATOM 0 HG23 ILE A 23 24.779 21.911 18.428 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.012 21.666 18.784 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.709 22.052 19.156 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.030 22.468 17.564 1.00 0.00 H new ATOM 372 N GLU A 24 25.690 20.524 14.397 1.00 0.00 N ATOM 373 CA GLU A 24 26.876 20.672 13.578 1.00 0.00 C ATOM 374 C GLU A 24 26.935 21.865 12.627 1.00 0.00 C ATOM 375 O GLU A 24 28.008 22.402 12.389 1.00 0.00 O ATOM 376 CB GLU A 24 27.261 19.357 12.902 1.00 0.00 C ATOM 377 CG GLU A 24 26.804 19.097 11.466 1.00 0.00 C ATOM 378 CD GLU A 24 27.707 19.778 10.440 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.924 19.974 10.621 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.079 20.247 9.465 1.00 0.00 O ATOM 0 H GLU A 24 25.207 19.642 14.225 1.00 0.00 H new ATOM 0 HA GLU A 24 27.644 20.936 14.305 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.348 19.285 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.878 18.545 13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.791 18.023 11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 24 25.782 19.455 11.342 1.00 0.00 H new ATOM 387 N ASN A 25 25.788 22.225 12.047 1.00 0.00 N ATOM 388 CA ASN A 25 25.541 23.270 11.082 1.00 0.00 C ATOM 389 C ASN A 25 25.530 24.596 11.841 1.00 0.00 C ATOM 390 O ASN A 25 26.126 25.598 11.460 1.00 0.00 O ATOM 391 CB ASN A 25 24.273 23.131 10.246 1.00 0.00 C ATOM 392 CG ASN A 25 24.051 24.099 9.095 1.00 0.00 C ATOM 393 OD1 ASN A 25 25.031 24.509 8.468 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.851 24.622 8.885 1.00 0.00 N ATOM 0 H ASN A 25 24.925 21.731 12.274 1.00 0.00 H new ATOM 0 HA ASN A 25 26.340 23.207 10.343 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.255 22.121 9.837 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.421 23.217 10.920 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.733 25.369 8.201 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.046 24.277 9.408 1.00 0.00 H new ATOM 401 N VAL A 26 24.919 24.576 13.025 1.00 0.00 N ATOM 402 CA VAL A 26 24.683 25.635 13.978 1.00 0.00 C ATOM 403 C VAL A 26 25.966 26.083 14.678 1.00 0.00 C ATOM 404 O VAL A 26 26.238 27.237 15.023 1.00 0.00 O ATOM 405 CB VAL A 26 23.731 25.133 15.072 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.400 26.279 16.029 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.387 24.713 14.477 1.00 0.00 C ATOM 0 H VAL A 26 24.532 23.698 13.373 1.00 0.00 H new ATOM 0 HA VAL A 26 24.265 26.473 13.420 1.00 0.00 H new ATOM 0 HB VAL A 26 24.226 24.298 15.568 1.00 0.00 H new ATOM 0 HG11 VAL A 26 22.724 25.921 16.805 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.318 26.646 16.488 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.922 27.088 15.476 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.731 24.361 15.273 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.927 25.566 13.978 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.543 23.912 13.755 1.00 0.00 H new ATOM 417 N LYS A 27 26.913 25.164 14.862 1.00 0.00 N ATOM 418 CA LYS A 27 28.201 25.355 15.482 1.00 0.00 C ATOM 419 C LYS A 27 29.022 26.315 14.615 1.00 0.00 C ATOM 420 O LYS A 27 29.822 27.130 15.048 1.00 0.00 O ATOM 421 CB LYS A 27 28.967 24.025 15.510 1.00 0.00 C ATOM 422 CG LYS A 27 30.165 23.945 16.444 1.00 0.00 C ATOM 423 CD LYS A 27 31.102 22.759 16.201 1.00 0.00 C ATOM 424 CE LYS A 27 30.688 21.577 17.071 1.00 0.00 C ATOM 425 NZ LYS A 27 31.472 20.341 16.901 1.00 0.00 N ATOM 0 H LYS A 27 26.779 24.200 14.555 1.00 0.00 H new ATOM 0 HA LYS A 27 28.055 25.739 16.491 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.268 23.236 15.786 1.00 0.00 H new ATOM 0 HB3 LYS A 27 29.310 23.809 14.498 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.740 24.867 16.352 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.803 23.897 17.471 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.075 22.474 15.149 1.00 0.00 H new ATOM 0 HD3 LYS A 27 32.129 23.045 16.427 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.750 21.882 18.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.642 21.350 16.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.350 19.735 17.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.142 19.834 16.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.478 20.580 16.791 1.00 0.00 H new ATOM 439 N ALA A 28 28.835 26.286 13.299 1.00 0.00 N ATOM 440 CA ALA A 28 29.409 27.224 12.350 1.00 0.00 C ATOM 441 C ALA A 28 28.941 28.664 12.570 1.00 0.00 C ATOM 442 O ALA A 28 29.696 29.595 12.280 1.00 0.00 O ATOM 443 CB ALA A 28 28.991 26.850 10.926 1.00 0.00 C ATOM 0 H ALA A 28 28.255 25.578 12.850 1.00 0.00 H new ATOM 0 HA ALA A 28 30.487 27.168 12.498 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.426 27.559 10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.345 25.845 10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.904 26.879 10.846 1.00 0.00 H new ATOM 449 N LYS A 29 27.755 28.896 13.106 1.00 0.00 N ATOM 450 CA LYS A 29 27.222 30.245 13.144 1.00 0.00 C ATOM 451 C LYS A 29 27.918 31.098 14.208 1.00 0.00 C ATOM 452 O LYS A 29 27.803 32.323 14.145 1.00 0.00 O ATOM 453 CB LYS A 29 25.707 30.272 13.262 1.00 0.00 C ATOM 454 CG LYS A 29 25.065 29.483 12.117 1.00 0.00 C ATOM 455 CD LYS A 29 23.566 29.196 12.167 1.00 0.00 C ATOM 456 CE LYS A 29 23.345 28.345 10.924 1.00 0.00 C ATOM 457 NZ LYS A 29 21.962 27.875 10.840 1.00 0.00 N ATOM 0 H LYS A 29 27.153 28.181 13.514 1.00 0.00 H new ATOM 0 HA LYS A 29 27.448 30.703 12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.403 29.847 14.219 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.353 31.303 13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.266 30.023 11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.581 28.526 12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.286 28.664 13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.977 30.113 12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.588 28.926 10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 29 24.021 27.490 10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.621 27.971 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.917 26.876 11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.363 28.443 11.472 1.00 0.00 H new ATOM 471 N ILE A 30 28.791 30.495 15.012 1.00 0.00 N ATOM 472 CA ILE A 30 29.865 31.174 15.711 1.00 0.00 C ATOM 473 C ILE A 30 30.781 31.995 14.813 1.00 0.00 C ATOM 474 O ILE A 30 31.226 33.104 15.120 1.00 0.00 O ATOM 475 CB ILE A 30 30.618 30.074 16.465 1.00 0.00 C ATOM 476 CG1 ILE A 30 29.846 29.462 17.629 1.00 0.00 C ATOM 477 CG2 ILE A 30 31.954 30.455 17.087 1.00 0.00 C ATOM 478 CD1 ILE A 30 30.388 28.182 18.276 1.00 0.00 C ATOM 0 H ILE A 30 28.765 29.492 15.196 1.00 0.00 H new ATOM 0 HA ILE A 30 29.455 31.927 16.385 1.00 0.00 H new ATOM 0 HB ILE A 30 30.765 29.382 15.636 1.00 0.00 H new ATOM 0 HG12 ILE A 30 29.767 30.219 18.409 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.834 29.255 17.282 1.00 0.00 H new ATOM 0 HG21 ILE A 30 32.382 29.588 17.590 1.00 0.00 H new ATOM 0 HG22 ILE A 30 32.635 30.795 16.307 1.00 0.00 H new ATOM 0 HG23 ILE A 30 31.803 31.256 17.811 1.00 0.00 H new ATOM 0 HD11 ILE A 30 29.727 27.876 19.086 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.438 27.390 17.529 1.00 0.00 H new ATOM 0 HD13 ILE A 30 31.386 28.369 18.673 1.00 0.00 H new ATOM 490 N GLN A 31 31.033 31.533 13.596 1.00 0.00 N ATOM 491 CA GLN A 31 32.082 32.031 12.716 1.00 0.00 C ATOM 492 C GLN A 31 31.697 33.411 12.167 1.00 0.00 C ATOM 493 O GLN A 31 32.528 34.313 12.078 1.00 0.00 O ATOM 494 CB GLN A 31 32.290 31.077 11.544 1.00 0.00 C ATOM 495 CG GLN A 31 33.570 31.300 10.726 1.00 0.00 C ATOM 496 CD GLN A 31 33.639 30.257 9.616 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.738 30.125 8.794 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.776 29.592 9.462 1.00 0.00 N ATOM 0 H GLN A 31 30.494 30.774 13.179 1.00 0.00 H new ATOM 0 HA GLN A 31 33.004 32.106 13.293 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.298 30.056 11.927 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.434 31.160 10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.574 32.303 10.300 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.446 31.223 11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.527 29.700 10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.900 28.972 8.661 1.00 0.00 H new ATOM 507 N ASP A 32 30.416 33.593 11.863 1.00 0.00 N ATOM 508 CA ASP A 32 29.816 34.860 11.510 1.00 0.00 C ATOM 509 C ASP A 32 29.797 35.862 12.673 1.00 0.00 C ATOM 510 O ASP A 32 30.324 36.956 12.476 1.00 0.00 O ATOM 511 CB ASP A 32 28.364 34.684 11.074 1.00 0.00 C ATOM 512 CG ASP A 32 27.501 35.946 10.993 1.00 0.00 C ATOM 513 OD1 ASP A 32 27.766 36.822 10.146 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.401 35.951 11.581 1.00 0.00 O ATOM 0 H ASP A 32 29.745 32.824 11.858 1.00 0.00 H new ATOM 0 HA ASP A 32 30.437 35.243 10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.361 34.209 10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.885 33.991 11.766 1.00 0.00 H new ATOM 519 N LYS A 33 29.582 35.441 13.922 1.00 0.00 N ATOM 520 CA LYS A 33 29.451 36.314 15.062 1.00 0.00 C ATOM 521 C LYS A 33 30.793 36.586 15.733 1.00 0.00 C ATOM 522 O LYS A 33 30.912 37.732 16.168 1.00 0.00 O ATOM 523 CB LYS A 33 28.486 35.736 16.104 1.00 0.00 C ATOM 524 CG LYS A 33 27.053 36.265 16.085 1.00 0.00 C ATOM 525 CD LYS A 33 26.903 37.589 16.827 1.00 0.00 C ATOM 526 CE LYS A 33 25.483 38.158 16.759 1.00 0.00 C ATOM 527 NZ LYS A 33 25.436 39.621 16.967 1.00 0.00 N ATOM 0 H LYS A 33 29.494 34.453 14.161 1.00 0.00 H new ATOM 0 HA LYS A 33 29.052 37.253 14.678 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.451 34.655 15.971 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.904 35.922 17.094 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.732 36.394 15.051 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.391 35.525 16.534 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.182 37.447 17.871 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.599 38.315 16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.049 37.921 15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.865 37.669 17.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.450 39.948 16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.824 39.851 17.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.001 40.094 16.233 1.00 0.00 H new ATOM 541 N GLU A 34 31.756 35.672 15.779 1.00 0.00 N ATOM 542 CA GLU A 34 32.996 35.761 16.522 1.00 0.00 C ATOM 543 C GLU A 34 34.228 35.527 15.634 1.00 0.00 C ATOM 544 O GLU A 34 35.297 35.946 16.048 1.00 0.00 O ATOM 545 CB GLU A 34 33.007 34.825 17.721 1.00 0.00 C ATOM 546 CG GLU A 34 32.320 35.385 18.964 1.00 0.00 C ATOM 547 CD GLU A 34 32.982 36.595 19.601 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.059 36.418 20.213 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.546 37.756 19.467 1.00 0.00 O ATOM 0 H GLU A 34 31.681 34.795 15.263 1.00 0.00 H new ATOM 0 HA GLU A 34 33.054 36.783 16.895 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.520 33.891 17.442 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.041 34.584 17.969 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.297 35.652 18.700 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.261 34.593 19.710 1.00 0.00 H new ATOM 556 N GLY A 35 34.073 34.717 14.589 1.00 0.00 N ATOM 557 CA GLY A 35 35.156 34.477 13.644 1.00 0.00 C ATOM 558 C GLY A 35 35.794 33.104 13.801 1.00 0.00 C ATOM 559 O GLY A 35 36.634 32.882 12.934 1.00 0.00 O ATOM 0 H GLY A 35 33.209 34.218 14.377 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.773 34.579 12.629 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.920 35.243 13.775 1.00 0.00 H new ATOM 563 N ILE A 36 35.414 32.394 14.857 1.00 0.00 N ATOM 564 CA ILE A 36 35.962 31.101 15.235 1.00 0.00 C ATOM 565 C ILE A 36 35.412 30.052 14.266 1.00 0.00 C ATOM 566 O ILE A 36 34.194 29.959 14.137 1.00 0.00 O ATOM 567 CB ILE A 36 35.696 30.775 16.704 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.779 32.020 17.582 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.536 29.615 17.236 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.101 31.807 18.924 1.00 0.00 C ATOM 0 H ILE A 36 34.688 32.717 15.496 1.00 0.00 H new ATOM 0 HA ILE A 36 37.049 31.113 15.154 1.00 0.00 H new ATOM 0 HB ILE A 36 34.667 30.418 16.754 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.824 32.285 17.740 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.312 32.860 17.068 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.294 29.441 18.284 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.321 28.715 16.660 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.594 29.860 17.144 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.181 32.716 19.521 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.049 31.568 18.766 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.585 30.984 19.450 1.00 0.00 H new ATOM 582 N PRO A 37 36.292 29.302 13.635 1.00 0.00 N ATOM 583 CA PRO A 37 35.915 28.091 12.928 1.00 0.00 C ATOM 584 C PRO A 37 35.430 26.907 13.764 1.00 0.00 C ATOM 585 O PRO A 37 36.097 26.441 14.688 1.00 0.00 O ATOM 586 CB PRO A 37 37.140 27.746 12.072 1.00 0.00 C ATOM 587 CG PRO A 37 38.349 28.238 12.870 1.00 0.00 C ATOM 588 CD PRO A 37 37.740 29.384 13.678 1.00 0.00 C ATOM 0 HA PRO A 37 35.014 28.292 12.349 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.201 26.673 11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.088 28.233 11.098 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.761 27.459 13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.157 28.578 12.222 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.085 29.336 14.711 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.071 30.341 13.275 1.00 0.00 H new ATOM 596 N PRO A 38 34.379 26.215 13.309 1.00 0.00 N ATOM 597 CA PRO A 38 33.686 25.198 14.077 1.00 0.00 C ATOM 598 C PRO A 38 34.532 23.992 14.488 1.00 0.00 C ATOM 599 O PRO A 38 34.177 23.426 15.515 1.00 0.00 O ATOM 600 CB PRO A 38 32.477 24.785 13.242 1.00 0.00 C ATOM 601 CG PRO A 38 32.684 25.369 11.846 1.00 0.00 C ATOM 602 CD PRO A 38 33.842 26.354 11.980 1.00 0.00 C ATOM 0 HA PRO A 38 33.402 25.624 15.039 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.390 23.699 13.198 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.555 25.161 13.685 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.917 24.586 11.124 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.782 25.870 11.493 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.609 26.148 11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.499 27.374 11.810 1.00 0.00 H new ATOM 610 N ASP A 39 35.529 23.537 13.739 1.00 0.00 N ATOM 611 CA ASP A 39 36.231 22.292 14.013 1.00 0.00 C ATOM 612 C ASP A 39 36.960 22.436 15.351 1.00 0.00 C ATOM 613 O ASP A 39 37.109 21.354 15.910 1.00 0.00 O ATOM 614 CB ASP A 39 37.186 22.030 12.843 1.00 0.00 C ATOM 615 CG ASP A 39 38.177 20.886 13.037 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.709 19.755 13.317 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.373 21.062 12.719 1.00 0.00 O ATOM 0 H ASP A 39 35.876 24.029 12.915 1.00 0.00 H new ATOM 0 HA ASP A 39 35.556 21.440 14.098 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.592 21.824 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.748 22.943 12.646 1.00 0.00 H new ATOM 622 N GLN A 40 37.187 23.644 15.878 1.00 0.00 N ATOM 623 CA GLN A 40 37.720 23.838 17.208 1.00 0.00 C ATOM 624 C GLN A 40 36.766 23.675 18.395 1.00 0.00 C ATOM 625 O GLN A 40 37.153 23.777 19.552 1.00 0.00 O ATOM 626 CB GLN A 40 38.331 25.234 17.303 1.00 0.00 C ATOM 627 CG GLN A 40 39.564 25.477 16.433 1.00 0.00 C ATOM 628 CD GLN A 40 39.939 26.943 16.620 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.058 27.457 17.733 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.251 27.631 15.531 1.00 0.00 N ATOM 0 H GLN A 40 37.001 24.514 15.380 1.00 0.00 H new ATOM 0 HA GLN A 40 38.436 23.022 17.308 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.568 25.964 17.032 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.599 25.424 18.342 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.385 24.825 16.731 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.350 25.261 15.386 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.151 27.202 14.611 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.591 28.589 15.613 1.00 0.00 H new ATOM 639 N GLN A 41 35.473 23.634 18.125 1.00 0.00 N ATOM 640 CA GLN A 41 34.416 24.008 19.041 1.00 0.00 C ATOM 641 C GLN A 41 33.527 22.807 19.388 1.00 0.00 C ATOM 642 O GLN A 41 33.277 21.914 18.580 1.00 0.00 O ATOM 643 CB GLN A 41 33.550 25.178 18.576 1.00 0.00 C ATOM 644 CG GLN A 41 34.423 26.428 18.435 1.00 0.00 C ATOM 645 CD GLN A 41 34.992 26.981 19.734 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.327 27.137 20.760 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.277 27.304 19.804 1.00 0.00 N ATOM 0 H GLN A 41 35.118 23.325 17.220 1.00 0.00 H new ATOM 0 HA GLN A 41 34.938 24.354 19.933 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.078 24.940 17.622 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.748 25.359 19.292 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.251 26.197 17.765 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.833 27.209 17.956 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.875 27.195 18.985 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.666 27.661 20.677 1.00 0.00 H new ATOM 656 N ARG A 42 32.898 22.743 20.559 1.00 0.00 N ATOM 657 CA ARG A 42 31.959 21.743 21.024 1.00 0.00 C ATOM 658 C ARG A 42 30.805 22.330 21.841 1.00 0.00 C ATOM 659 O ARG A 42 31.013 23.034 22.831 1.00 0.00 O ATOM 660 CB ARG A 42 32.611 20.532 21.690 1.00 0.00 C ATOM 661 CG ARG A 42 31.581 19.461 22.049 1.00 0.00 C ATOM 662 CD ARG A 42 32.055 18.741 23.301 1.00 0.00 C ATOM 663 NE ARG A 42 33.278 17.930 23.202 1.00 0.00 N ATOM 664 CZ ARG A 42 33.422 16.717 22.658 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.407 15.905 22.318 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.612 16.121 22.505 1.00 0.00 N ATOM 0 H ARG A 42 33.052 23.460 21.268 1.00 0.00 H new ATOM 0 HA ARG A 42 31.508 21.348 20.114 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.359 20.107 21.020 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.134 20.850 22.592 1.00 0.00 H new ATOM 0 HG2 ARG A 42 30.605 19.915 22.219 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.465 18.755 21.226 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.210 19.488 24.079 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.248 18.091 23.640 1.00 0.00 H new ATOM 0 HE ARG A 42 34.122 18.345 23.598 1.00 0.00 H new ATOM 0 HH11 ARG A 42 31.443 16.202 22.471 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.600 14.992 21.907 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.462 16.594 22.810 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.668 15.194 22.084 1.00 0.00 H new ATOM 680 N LEU A 43 29.537 22.127 21.497 1.00 0.00 N ATOM 681 CA LEU A 43 28.401 22.503 22.307 1.00 0.00 C ATOM 682 C LEU A 43 28.020 21.522 23.420 1.00 0.00 C ATOM 683 O LEU A 43 28.044 20.304 23.298 1.00 0.00 O ATOM 684 CB LEU A 43 27.208 22.512 21.357 1.00 0.00 C ATOM 685 CG LEU A 43 26.976 23.595 20.312 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.606 24.940 20.940 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.954 23.702 19.144 1.00 0.00 C ATOM 0 H LEU A 43 29.272 21.682 20.618 1.00 0.00 H new ATOM 0 HA LEU A 43 28.659 23.446 22.789 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.238 21.566 20.817 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.316 22.493 21.983 1.00 0.00 H new ATOM 0 HG LEU A 43 26.100 23.217 19.784 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.451 25.678 20.153 1.00 0.00 H new ATOM 0 HD12 LEU A 43 25.690 24.831 21.521 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.413 25.270 21.594 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.652 24.520 18.490 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.957 23.894 19.526 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.953 22.768 18.582 1.00 0.00 H new ATOM 699 N ILE A 44 27.488 22.097 24.499 1.00 0.00 N ATOM 700 CA ILE A 44 27.015 21.452 25.717 1.00 0.00 C ATOM 701 C ILE A 44 25.621 21.958 26.083 1.00 0.00 C ATOM 702 O ILE A 44 25.438 23.171 26.192 1.00 0.00 O ATOM 703 CB ILE A 44 28.033 21.386 26.849 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.365 20.767 26.427 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.478 20.846 28.171 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.437 20.687 27.516 1.00 0.00 C ATOM 0 H ILE A 44 27.369 23.109 24.544 1.00 0.00 H new ATOM 0 HA ILE A 44 26.899 20.389 25.504 1.00 0.00 H new ATOM 0 HB ILE A 44 28.264 22.427 27.076 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.175 19.760 26.056 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.764 21.344 25.593 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.270 20.834 28.920 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.665 21.486 28.513 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.104 19.833 28.022 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.339 20.232 27.106 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.668 21.690 27.874 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.069 20.082 28.345 1.00 0.00 H new ATOM 718 N PHE A 45 24.694 21.120 26.519 1.00 0.00 N ATOM 719 CA PHE A 45 23.334 21.439 26.915 1.00 0.00 C ATOM 720 C PHE A 45 23.108 20.654 28.209 1.00 0.00 C ATOM 721 O PHE A 45 24.063 20.121 28.759 1.00 0.00 O ATOM 722 CB PHE A 45 22.290 21.190 25.838 1.00 0.00 C ATOM 723 CG PHE A 45 20.857 21.572 26.100 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.505 22.885 26.459 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.809 20.646 26.182 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.172 23.280 26.675 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.502 20.983 26.552 1.00 0.00 C ATOM 728 CZ PHE A 45 18.156 22.318 26.742 1.00 0.00 C ATOM 0 H PHE A 45 24.889 20.123 26.612 1.00 0.00 H new ATOM 0 HA PHE A 45 23.212 22.510 27.077 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.612 21.719 24.941 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.308 20.126 25.604 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.289 23.619 26.573 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.022 19.614 25.946 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.932 24.327 26.789 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.763 20.208 26.690 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.133 22.604 26.936 1.00 0.00 H new ATOM 738 N ALA A 46 21.917 20.677 28.817 1.00 0.00 N ATOM 739 CA ALA A 46 21.568 20.270 30.159 1.00 0.00 C ATOM 740 C ALA A 46 21.975 18.856 30.572 1.00 0.00 C ATOM 741 O ALA A 46 21.237 17.900 30.343 1.00 0.00 O ATOM 742 CB ALA A 46 20.052 20.443 30.151 1.00 0.00 C ATOM 0 H ALA A 46 21.096 21.019 28.318 1.00 0.00 H new ATOM 0 HA ALA A 46 22.109 20.861 30.898 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.649 20.165 31.125 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.806 21.484 29.940 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.617 19.804 29.382 1.00 0.00 H new ATOM 748 N GLY A 47 23.195 18.624 31.060 1.00 0.00 N ATOM 749 CA GLY A 47 23.687 17.297 31.362 1.00 0.00 C ATOM 750 C GLY A 47 24.858 16.773 30.525 1.00 0.00 C ATOM 751 O GLY A 47 25.693 16.059 31.079 1.00 0.00 O ATOM 0 H GLY A 47 23.868 19.365 31.255 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.987 17.279 32.410 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.858 16.598 31.256 1.00 0.00 H new ATOM 755 N LYS A 48 24.845 17.127 29.246 1.00 0.00 N ATOM 756 CA LYS A 48 25.614 16.391 28.268 1.00 0.00 C ATOM 757 C LYS A 48 26.021 17.292 27.094 1.00 0.00 C ATOM 758 O LYS A 48 25.563 18.403 26.846 1.00 0.00 O ATOM 759 CB LYS A 48 24.973 15.024 28.033 1.00 0.00 C ATOM 760 CG LYS A 48 25.623 14.085 27.010 1.00 0.00 C ATOM 761 CD LYS A 48 24.690 12.874 26.935 1.00 0.00 C ATOM 762 CE LYS A 48 25.229 11.840 25.958 1.00 0.00 C ATOM 763 NZ LYS A 48 24.236 10.760 25.844 1.00 0.00 N ATOM 0 H LYS A 48 24.314 17.913 28.871 1.00 0.00 H new ATOM 0 HA LYS A 48 26.605 16.100 28.617 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.940 14.503 28.990 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.941 15.189 27.725 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.722 14.568 26.038 1.00 0.00 H new ATOM 0 HG3 LYS A 48 26.625 13.792 27.324 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.585 12.427 27.924 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.696 13.193 26.623 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.411 12.295 24.984 1.00 0.00 H new ATOM 0 HE3 LYS A 48 26.183 11.445 26.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.582 10.039 25.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.085 10.327 26.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.338 11.150 25.494 1.00 0.00 H new ATOM 777 N GLN A 49 27.051 16.718 26.493 1.00 0.00 N ATOM 778 CA GLN A 49 27.680 17.288 25.316 1.00 0.00 C ATOM 779 C GLN A 49 26.836 16.920 24.099 1.00 0.00 C ATOM 780 O GLN A 49 26.295 15.822 24.073 1.00 0.00 O ATOM 781 CB GLN A 49 29.012 16.596 25.055 1.00 0.00 C ATOM 782 CG GLN A 49 30.109 16.941 26.069 1.00 0.00 C ATOM 783 CD GLN A 49 30.246 15.801 27.080 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.303 15.294 27.677 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.477 15.365 27.337 1.00 0.00 N ATOM 0 H GLN A 49 27.473 15.845 26.808 1.00 0.00 H new ATOM 0 HA GLN A 49 27.791 18.361 25.472 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.855 15.517 25.059 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.358 16.864 24.057 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.057 17.101 25.555 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.864 17.870 26.584 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.275 15.774 26.851 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.623 14.622 28.020 1.00 0.00 H new ATOM 794 N LEU A 50 26.730 17.813 23.113 1.00 0.00 N ATOM 795 CA LEU A 50 25.835 17.455 22.031 1.00 0.00 C ATOM 796 C LEU A 50 26.626 16.795 20.896 1.00 0.00 C ATOM 797 O LEU A 50 27.654 17.281 20.415 1.00 0.00 O ATOM 798 CB LEU A 50 25.262 18.766 21.482 1.00 0.00 C ATOM 799 CG LEU A 50 24.511 19.579 22.531 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.642 20.690 21.938 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.581 18.723 23.394 1.00 0.00 C ATOM 0 H LEU A 50 27.209 18.711 23.044 1.00 0.00 H new ATOM 0 HA LEU A 50 25.064 16.773 22.388 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.075 19.369 21.078 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.589 18.542 20.654 1.00 0.00 H new ATOM 0 HG LEU A 50 25.313 20.009 23.131 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.138 21.226 22.742 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.270 21.383 21.378 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.898 20.254 21.271 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.074 19.357 24.122 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.841 18.236 22.759 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.165 17.965 23.917 1.00 0.00 H new ATOM 813 N GLU A 51 26.199 15.676 20.328 1.00 0.00 N ATOM 814 CA GLU A 51 26.647 15.010 19.112 1.00 0.00 C ATOM 815 C GLU A 51 26.445 15.717 17.774 1.00 0.00 C ATOM 816 O GLU A 51 25.314 16.161 17.585 1.00 0.00 O ATOM 817 CB GLU A 51 25.882 13.680 19.182 1.00 0.00 C ATOM 818 CG GLU A 51 26.496 12.640 18.250 1.00 0.00 C ATOM 819 CD GLU A 51 27.939 12.228 18.535 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.170 11.465 19.510 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.899 12.706 17.906 1.00 0.00 O ATOM 0 H GLU A 51 25.439 15.151 20.761 1.00 0.00 H new ATOM 0 HA GLU A 51 27.735 14.947 19.108 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.892 13.305 20.206 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.839 13.843 18.912 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.874 11.745 18.282 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.447 13.025 17.232 1.00 0.00 H new ATOM 828 N ASP A 52 27.494 15.753 16.967 1.00 0.00 N ATOM 829 CA ASP A 52 27.565 16.570 15.780 1.00 0.00 C ATOM 830 C ASP A 52 26.744 15.957 14.641 1.00 0.00 C ATOM 831 O ASP A 52 27.267 15.145 13.885 1.00 0.00 O ATOM 832 CB ASP A 52 28.979 16.809 15.248 1.00 0.00 C ATOM 833 CG ASP A 52 29.890 17.751 16.025 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.549 18.323 17.078 1.00 0.00 O ATOM 835 OD2 ASP A 52 31.036 18.109 15.651 1.00 0.00 O ATOM 0 H ASP A 52 28.336 15.200 17.129 1.00 0.00 H new ATOM 0 HA ASP A 52 27.162 17.531 16.099 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.478 15.842 15.182 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.892 17.193 14.232 1.00 0.00 H new ATOM 840 N GLY A 53 25.491 16.398 14.544 1.00 0.00 N ATOM 841 CA GLY A 53 24.545 15.769 13.644 1.00 0.00 C ATOM 842 C GLY A 53 23.122 15.527 14.137 1.00 0.00 C ATOM 843 O GLY A 53 22.283 15.023 13.395 1.00 0.00 O ATOM 0 H GLY A 53 25.116 17.183 15.076 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.485 16.382 12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.961 14.807 13.346 1.00 0.00 H new ATOM 847 N ARG A 54 22.824 15.903 15.373 1.00 0.00 N ATOM 848 CA ARG A 54 21.458 15.912 15.860 1.00 0.00 C ATOM 849 C ARG A 54 21.002 17.371 15.848 1.00 0.00 C ATOM 850 O ARG A 54 21.756 18.302 15.559 1.00 0.00 O ATOM 851 CB ARG A 54 21.466 15.497 17.333 1.00 0.00 C ATOM 852 CG ARG A 54 21.581 13.982 17.485 1.00 0.00 C ATOM 853 CD ARG A 54 20.561 13.156 16.713 1.00 0.00 C ATOM 854 NE ARG A 54 20.352 11.828 17.289 1.00 0.00 N ATOM 855 CZ ARG A 54 19.239 11.108 17.430 1.00 0.00 C ATOM 856 NH1 ARG A 54 17.976 11.512 17.235 1.00 0.00 N ATOM 857 NH2 ARG A 54 19.434 9.842 17.829 1.00 0.00 N ATOM 0 H ARG A 54 23.517 16.207 16.058 1.00 0.00 H new ATOM 0 HA ARG A 54 20.829 15.255 15.260 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.299 15.980 17.844 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.552 15.844 17.815 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.579 13.679 17.168 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.494 13.735 18.543 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.611 13.690 16.690 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.893 13.051 15.680 1.00 0.00 H new ATOM 0 HE ARG A 54 21.197 11.379 17.641 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.786 12.471 16.944 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.204 10.860 17.377 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.380 9.501 17.999 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.636 9.221 17.962 1.00 0.00 H new ATOM 871 N THR A 55 19.727 17.548 16.173 1.00 0.00 N ATOM 872 CA THR A 55 18.937 18.761 16.110 1.00 0.00 C ATOM 873 C THR A 55 18.716 19.329 17.507 1.00 0.00 C ATOM 874 O THR A 55 18.850 18.613 18.491 1.00 0.00 O ATOM 875 CB THR A 55 17.752 18.578 15.165 1.00 0.00 C ATOM 876 OG1 THR A 55 16.795 17.575 15.439 1.00 0.00 O ATOM 877 CG2 THR A 55 18.161 18.239 13.733 1.00 0.00 C ATOM 0 H THR A 55 19.171 16.767 16.520 1.00 0.00 H new ATOM 0 HA THR A 55 19.466 19.584 15.630 1.00 0.00 H new ATOM 0 HB THR A 55 17.308 19.562 15.316 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.222 16.839 15.925 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.269 18.123 13.118 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.778 19.043 13.331 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.729 17.309 13.727 1.00 0.00 H new ATOM 885 N LEU A 56 18.296 20.590 17.649 1.00 0.00 N ATOM 886 CA LEU A 56 17.734 21.304 18.774 1.00 0.00 C ATOM 887 C LEU A 56 16.739 20.423 19.531 1.00 0.00 C ATOM 888 O LEU A 56 16.888 20.073 20.695 1.00 0.00 O ATOM 889 CB LEU A 56 17.196 22.678 18.356 1.00 0.00 C ATOM 890 CG LEU A 56 18.313 23.717 18.278 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.110 23.536 16.984 1.00 0.00 C ATOM 892 CD2 LEU A 56 17.709 25.112 18.432 1.00 0.00 C ATOM 0 H LEU A 56 18.358 21.217 16.847 1.00 0.00 H new ATOM 0 HA LEU A 56 18.524 21.528 19.490 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.704 22.598 17.387 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.441 23.007 19.070 1.00 0.00 H new ATOM 0 HG LEU A 56 19.025 23.582 19.093 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.904 24.282 16.938 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.548 22.538 16.963 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.447 23.659 16.128 1.00 0.00 H new ATOM 0 HD21 LEU A 56 18.501 25.859 18.377 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.989 25.287 17.633 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.206 25.186 19.396 1.00 0.00 H new ATOM 904 N SER A 57 15.811 19.873 18.743 1.00 0.00 N ATOM 905 CA SER A 57 14.606 19.282 19.287 1.00 0.00 C ATOM 906 C SER A 57 14.809 17.825 19.692 1.00 0.00 C ATOM 907 O SER A 57 14.022 17.281 20.471 1.00 0.00 O ATOM 908 CB SER A 57 13.555 19.324 18.176 1.00 0.00 C ATOM 909 OG SER A 57 13.442 20.637 17.680 1.00 0.00 O ATOM 0 H SER A 57 15.880 19.829 17.726 1.00 0.00 H new ATOM 0 HA SER A 57 14.310 19.835 20.178 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.835 18.644 17.372 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.592 18.986 18.560 1.00 0.00 H new ATOM 0 HG SER A 57 12.770 20.661 16.967 1.00 0.00 H new ATOM 915 N ASP A 58 15.978 17.278 19.364 1.00 0.00 N ATOM 916 CA ASP A 58 16.406 15.971 19.834 1.00 0.00 C ATOM 917 C ASP A 58 16.707 15.966 21.332 1.00 0.00 C ATOM 918 O ASP A 58 16.471 15.029 22.095 1.00 0.00 O ATOM 919 CB ASP A 58 17.639 15.432 19.108 1.00 0.00 C ATOM 920 CG ASP A 58 17.360 15.017 17.674 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.625 14.057 17.373 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.084 15.505 16.781 1.00 0.00 O ATOM 0 H ASP A 58 16.658 17.738 18.758 1.00 0.00 H new ATOM 0 HA ASP A 58 15.558 15.321 19.616 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.417 16.195 19.113 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.029 14.575 19.657 1.00 0.00 H new ATOM 927 N TYR A 59 17.310 17.057 21.798 1.00 0.00 N ATOM 928 CA TYR A 59 17.795 17.305 23.135 1.00 0.00 C ATOM 929 C TYR A 59 16.881 18.231 23.934 1.00 0.00 C ATOM 930 O TYR A 59 17.177 18.432 25.114 1.00 0.00 O ATOM 931 CB TYR A 59 19.145 18.027 23.102 1.00 0.00 C ATOM 932 CG TYR A 59 20.255 17.230 22.449 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.746 16.094 23.095 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.921 17.675 21.306 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.723 15.270 22.519 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.016 16.983 20.772 1.00 0.00 C ATOM 937 CZ TYR A 59 22.351 15.771 21.380 1.00 0.00 C ATOM 938 OH TYR A 59 23.247 14.924 20.795 1.00 0.00 O ATOM 0 H TYR A 59 17.482 17.856 21.187 1.00 0.00 H new ATOM 0 HA TYR A 59 17.853 16.319 23.597 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.028 18.971 22.569 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.439 18.272 24.123 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.360 15.841 24.072 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.583 18.578 20.820 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.974 14.305 22.933 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.574 17.368 19.931 1.00 0.00 H new ATOM 0 HH TYR A 59 23.562 15.313 19.952 1.00 0.00 H new ATOM 948 N ASN A 60 15.864 18.737 23.247 1.00 0.00 N ATOM 949 CA ASN A 60 14.774 19.568 23.715 1.00 0.00 C ATOM 950 C ASN A 60 15.178 21.022 23.969 1.00 0.00 C ATOM 951 O ASN A 60 14.683 21.655 24.900 1.00 0.00 O ATOM 952 CB ASN A 60 13.751 18.999 24.698 1.00 0.00 C ATOM 953 CG ASN A 60 14.070 18.609 26.134 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.122 17.465 26.567 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.166 19.603 27.012 1.00 0.00 N ATOM 0 H ASN A 60 15.779 18.553 22.247 1.00 0.00 H new ATOM 0 HA ASN A 60 14.140 19.560 22.828 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.945 19.730 24.754 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.340 18.107 24.226 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.278 19.397 28.005 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.127 20.571 26.693 1.00 0.00 H new ATOM 962 N ILE A 61 16.052 21.545 23.109 1.00 0.00 N ATOM 963 CA ILE A 61 16.399 22.948 23.154 1.00 0.00 C ATOM 964 C ILE A 61 15.166 23.715 22.661 1.00 0.00 C ATOM 965 O ILE A 61 14.501 23.348 21.699 1.00 0.00 O ATOM 966 CB ILE A 61 17.673 23.129 22.331 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.853 22.381 22.950 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.117 24.587 22.173 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.198 22.355 22.211 1.00 0.00 C ATOM 0 H ILE A 61 16.526 21.013 22.379 1.00 0.00 H new ATOM 0 HA ILE A 61 16.632 23.339 24.144 1.00 0.00 H new ATOM 0 HB ILE A 61 17.408 22.729 21.352 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.030 22.808 23.937 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.542 21.347 23.101 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.028 24.627 21.576 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.331 25.155 21.674 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.308 25.018 23.156 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.921 21.782 22.791 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.067 21.891 21.234 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.562 23.374 22.083 1.00 0.00 H new ATOM 981 N GLN A 62 14.912 24.800 23.399 1.00 0.00 N ATOM 982 CA GLN A 62 13.700 25.583 23.323 1.00 0.00 C ATOM 983 C GLN A 62 14.039 27.068 23.218 1.00 0.00 C ATOM 984 O GLN A 62 15.189 27.468 23.046 1.00 0.00 O ATOM 985 CB GLN A 62 12.823 25.106 24.479 1.00 0.00 C ATOM 986 CG GLN A 62 12.115 23.820 24.066 1.00 0.00 C ATOM 987 CD GLN A 62 11.172 23.162 25.069 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.299 22.380 24.692 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.060 23.577 26.319 1.00 0.00 N ATOM 0 H GLN A 62 15.575 25.160 24.086 1.00 0.00 H new ATOM 0 HA GLN A 62 13.107 25.439 22.420 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.431 24.933 25.367 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.092 25.872 24.738 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.545 24.030 23.161 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.879 23.090 23.799 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.746 24.227 26.704 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.288 23.248 26.898 1.00 0.00 H new ATOM 998 N LYS A 63 13.023 27.933 23.179 1.00 0.00 N ATOM 999 CA LYS A 63 13.086 29.380 23.156 1.00 0.00 C ATOM 1000 C LYS A 63 14.124 29.966 24.110 1.00 0.00 C ATOM 1001 O LYS A 63 13.995 29.717 25.301 1.00 0.00 O ATOM 1002 CB LYS A 63 11.649 29.906 23.282 1.00 0.00 C ATOM 1003 CG LYS A 63 10.959 29.814 24.646 1.00 0.00 C ATOM 1004 CD LYS A 63 9.606 30.511 24.705 1.00 0.00 C ATOM 1005 CE LYS A 63 9.096 30.722 26.123 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.797 31.422 26.065 1.00 0.00 N ATOM 0 H LYS A 63 12.058 27.602 23.161 1.00 0.00 H new ATOM 0 HA LYS A 63 13.480 29.739 22.205 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.651 30.953 22.980 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.034 29.368 22.561 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.826 28.763 24.904 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.613 30.248 25.402 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.681 31.477 24.206 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.877 29.921 24.149 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.985 29.764 26.630 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.814 31.306 26.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.440 31.571 27.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.919 32.342 25.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.116 30.847 25.529 1.00 0.00 H new ATOM 1020 N GLU A 64 15.222 30.554 23.633 1.00 0.00 N ATOM 1021 CA GLU A 64 16.212 31.284 24.400 1.00 0.00 C ATOM 1022 C GLU A 64 17.095 30.350 25.221 1.00 0.00 C ATOM 1023 O GLU A 64 17.614 30.719 26.270 1.00 0.00 O ATOM 1024 CB GLU A 64 15.405 32.299 25.216 1.00 0.00 C ATOM 1025 CG GLU A 64 16.228 33.504 25.670 1.00 0.00 C ATOM 1026 CD GLU A 64 15.283 34.299 26.561 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.626 33.762 27.484 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.261 35.533 26.412 1.00 0.00 O ATOM 0 H GLU A 64 15.451 30.527 22.639 1.00 0.00 H new ATOM 0 HA GLU A 64 16.938 31.806 23.776 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.563 32.648 24.618 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.989 31.801 26.092 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.119 33.193 26.215 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.565 34.097 24.820 1.00 0.00 H new ATOM 1035 N SER A 65 17.262 29.087 24.821 1.00 0.00 N ATOM 1036 CA SER A 65 18.090 28.139 25.543 1.00 0.00 C ATOM 1037 C SER A 65 19.540 28.616 25.569 1.00 0.00 C ATOM 1038 O SER A 65 19.977 29.071 24.512 1.00 0.00 O ATOM 1039 CB SER A 65 17.967 26.776 24.850 1.00 0.00 C ATOM 1040 OG SER A 65 16.955 26.059 25.514 1.00 0.00 O ATOM 0 H SER A 65 16.823 28.700 23.986 1.00 0.00 H new ATOM 0 HA SER A 65 17.758 28.053 26.578 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.720 26.902 23.796 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.913 26.236 24.894 1.00 0.00 H new ATOM 0 HG SER A 65 17.336 25.248 25.912 1.00 0.00 H new ATOM 1046 N THR A 66 20.184 28.676 26.730 1.00 0.00 N ATOM 1047 CA THR A 66 21.605 28.962 26.864 1.00 0.00 C ATOM 1048 C THR A 66 22.429 27.670 26.854 1.00 0.00 C ATOM 1049 O THR A 66 22.372 26.860 27.779 1.00 0.00 O ATOM 1050 CB THR A 66 21.927 29.592 28.216 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.115 30.745 28.236 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.349 30.097 28.474 1.00 0.00 C ATOM 0 H THR A 66 19.719 28.523 27.625 1.00 0.00 H new ATOM 0 HA THR A 66 21.845 29.624 26.032 1.00 0.00 H new ATOM 0 HB THR A 66 21.776 28.812 28.963 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.250 31.226 29.079 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.410 30.515 29.479 1.00 0.00 H new ATOM 0 HG22 THR A 66 24.052 29.269 28.382 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.599 30.868 27.745 1.00 0.00 H new ATOM 1060 N LEU A 67 23.130 27.464 25.741 1.00 0.00 N ATOM 1061 CA LEU A 67 23.999 26.336 25.467 1.00 0.00 C ATOM 1062 C LEU A 67 25.427 26.775 25.792 1.00 0.00 C ATOM 1063 O LEU A 67 25.825 27.921 25.611 1.00 0.00 O ATOM 1064 CB LEU A 67 23.928 25.881 24.007 1.00 0.00 C ATOM 1065 CG LEU A 67 22.572 25.758 23.326 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.850 25.218 21.923 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.731 24.782 24.147 1.00 0.00 C ATOM 0 H LEU A 67 23.100 28.124 24.963 1.00 0.00 H new ATOM 0 HA LEU A 67 23.681 25.490 26.076 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.527 26.576 23.419 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.415 24.908 23.944 1.00 0.00 H new ATOM 0 HG LEU A 67 22.031 26.702 23.257 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.910 25.108 21.383 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.497 25.913 21.387 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.342 24.248 21.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.750 24.670 23.686 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.228 23.813 24.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.614 25.166 25.160 1.00 0.00 H new ATOM 1079 N HIS A 68 26.251 25.832 26.256 1.00 0.00 N ATOM 1080 CA HIS A 68 27.589 26.124 26.720 1.00 0.00 C ATOM 1081 C HIS A 68 28.559 25.726 25.611 1.00 0.00 C ATOM 1082 O HIS A 68 28.281 24.716 24.955 1.00 0.00 O ATOM 1083 CB HIS A 68 27.890 25.379 28.017 1.00 0.00 C ATOM 1084 CG HIS A 68 29.178 25.597 28.768 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.457 26.906 29.149 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.285 24.815 28.963 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.653 26.868 29.729 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.092 25.590 29.770 1.00 0.00 N ATOM 0 H HIS A 68 25.999 24.846 26.316 1.00 0.00 H new ATOM 0 HA HIS A 68 27.692 27.186 26.941 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.078 25.605 28.708 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.830 24.314 27.792 1.00 0.00 H new ATOM 0 HD1 HIS A 68 28.866 27.726 29.012 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.480 23.826 28.576 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.190 27.725 30.108 1.00 0.00 H new ATOM 1096 N LEU A 69 29.669 26.447 25.502 1.00 0.00 N ATOM 1097 CA LEU A 69 30.675 26.182 24.485 1.00 0.00 C ATOM 1098 C LEU A 69 31.975 25.791 25.196 1.00 0.00 C ATOM 1099 O LEU A 69 32.433 26.351 26.191 1.00 0.00 O ATOM 1100 CB LEU A 69 30.967 27.461 23.718 1.00 0.00 C ATOM 1101 CG LEU A 69 29.976 27.827 22.614 1.00 0.00 C ATOM 1102 CD1 LEU A 69 28.490 27.687 22.916 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.309 29.265 22.215 1.00 0.00 C ATOM 0 H LEU A 69 29.895 27.230 26.116 1.00 0.00 H new ATOM 0 HA LEU A 69 30.320 25.399 23.815 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.007 28.286 24.430 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.959 27.375 23.274 1.00 0.00 H new ATOM 0 HG LEU A 69 30.108 27.093 21.819 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.911 27.982 22.041 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.266 26.650 23.167 1.00 0.00 H new ATOM 0 HD13 LEU A 69 28.228 28.329 23.757 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.632 29.589 21.424 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.196 29.918 23.080 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.337 29.314 21.856 1.00 0.00 H new ATOM 1115 N VAL A 70 32.691 24.845 24.592 1.00 0.00 N ATOM 1116 CA VAL A 70 34.011 24.411 24.992 1.00 0.00 C ATOM 1117 C VAL A 70 34.795 24.238 23.691 1.00 0.00 C ATOM 1118 O VAL A 70 34.278 24.058 22.593 1.00 0.00 O ATOM 1119 CB VAL A 70 33.904 23.177 25.896 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.365 23.495 27.300 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.074 22.044 25.293 1.00 0.00 C ATOM 0 H VAL A 70 32.344 24.343 23.775 1.00 0.00 H new ATOM 0 HA VAL A 70 34.553 25.124 25.613 1.00 0.00 H new ATOM 0 HB VAL A 70 34.936 22.838 25.985 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.315 22.578 27.887 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.029 24.205 27.793 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.368 23.928 27.218 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.043 21.206 25.989 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.060 22.397 25.104 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.526 21.721 24.355 1.00 0.00 H new ATOM 1131 N LEU A 71 36.120 24.254 23.790 1.00 0.00 N ATOM 1132 CA LEU A 71 37.053 23.569 22.913 1.00 0.00 C ATOM 1133 C LEU A 71 36.973 22.042 22.824 1.00 0.00 C ATOM 1134 O LEU A 71 36.872 21.509 23.931 1.00 0.00 O ATOM 1135 CB LEU A 71 38.449 24.078 23.311 1.00 0.00 C ATOM 1136 CG LEU A 71 39.394 24.352 22.147 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.220 25.777 21.635 1.00 0.00 C ATOM 1138 CD2 LEU A 71 40.831 24.029 22.580 1.00 0.00 C ATOM 0 H LEU A 71 36.595 24.776 24.527 1.00 0.00 H new ATOM 0 HA LEU A 71 36.782 23.817 21.887 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.333 24.995 23.888 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.912 23.343 23.970 1.00 0.00 H new ATOM 0 HG LEU A 71 39.154 23.705 21.303 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.904 25.951 20.804 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.194 25.919 21.296 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.438 26.481 22.438 1.00 0.00 H new ATOM 0 HD21 LEU A 71 41.513 24.223 21.752 1.00 0.00 H new ATOM 0 HD22 LEU A 71 41.105 24.655 23.429 1.00 0.00 H new ATOM 0 HD23 LEU A 71 40.897 22.979 22.867 1.00 0.00 H new