USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 Single : A 1 MET CE :methyl 160:sc= -0.0502 (180deg=-0.37) USER MOD Single : A 1 MET N :NH3+ -141:sc= 2.44 (180deg=1.7) USER MOD Single : A 2 GLN : amide:sc= 0.627 K(o=0.63,f=-0.44) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -47:sc= 0.918 USER MOD Single : A 9 THR OG1 : rot 54:sc= 0.00629 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0029 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.292 X(o=0.29,f=-0.034) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.743 (180deg=0.575) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.57) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 41 GLN : amide:sc= 1.68 K(o=1.7,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -57:sc= 1.28 USER MOD Single : A 57 SER OG : rot 66:sc= 0.564 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.166 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.000573 K(o=-0.00057,f=-2.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 94:sc= 1.08 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.418 31.052 16.423 1.00 0.00 N ATOM 2 CA MET A 1 14.605 30.600 17.802 1.00 0.00 C ATOM 3 C MET A 1 15.745 31.344 18.504 1.00 0.00 C ATOM 4 O MET A 1 16.856 31.262 17.981 1.00 0.00 O ATOM 5 CB MET A 1 14.808 29.087 17.847 1.00 0.00 C ATOM 6 CG MET A 1 15.083 28.409 19.192 1.00 0.00 C ATOM 7 SD MET A 1 15.250 26.655 18.791 1.00 0.00 S ATOM 8 CE MET A 1 16.275 25.960 20.113 1.00 0.00 C ATOM 0 H1 MET A 1 13.402 31.092 16.206 1.00 0.00 H new ATOM 0 H2 MET A 1 14.834 31.998 16.308 1.00 0.00 H new ATOM 0 H3 MET A 1 14.885 30.387 15.773 1.00 0.00 H new ATOM 0 HA MET A 1 13.696 30.838 18.354 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.917 28.624 17.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.639 28.848 17.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.990 28.798 19.654 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.268 28.579 19.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.136 24.880 20.152 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.323 26.184 19.916 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.984 26.398 21.068 1.00 0.00 H new ATOM 20 N GLN A 2 15.562 32.197 19.508 1.00 0.00 N ATOM 21 CA GLN A 2 16.692 32.763 20.218 1.00 0.00 C ATOM 22 C GLN A 2 17.300 31.780 21.219 1.00 0.00 C ATOM 23 O GLN A 2 16.525 31.184 21.977 1.00 0.00 O ATOM 24 CB GLN A 2 16.181 34.018 20.935 1.00 0.00 C ATOM 25 CG GLN A 2 15.884 35.190 20.005 1.00 0.00 C ATOM 26 CD GLN A 2 17.184 35.874 19.586 1.00 0.00 C ATOM 27 OE1 GLN A 2 18.012 36.185 20.436 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.288 36.035 18.271 1.00 0.00 N ATOM 0 H GLN A 2 14.649 32.506 19.842 1.00 0.00 H new ATOM 0 HA GLN A 2 17.489 33.002 19.513 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.274 33.765 21.484 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.923 34.331 21.670 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.350 34.837 19.123 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.233 35.906 20.507 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.529 35.736 17.659 1.00 0.00 H new ATOM 0 HE22 GLN A 2 18.127 36.458 17.874 1.00 0.00 H new ATOM 37 N ILE A 3 18.616 31.650 21.166 1.00 0.00 N ATOM 38 CA ILE A 3 19.369 30.918 22.172 1.00 0.00 C ATOM 39 C ILE A 3 20.518 31.814 22.615 1.00 0.00 C ATOM 40 O ILE A 3 21.267 32.320 21.793 1.00 0.00 O ATOM 41 CB ILE A 3 19.795 29.503 21.777 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.660 29.527 20.510 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.670 28.482 21.626 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.253 28.153 20.221 1.00 0.00 C ATOM 0 H ILE A 3 19.192 32.049 20.425 1.00 0.00 H new ATOM 0 HA ILE A 3 18.711 30.705 23.014 1.00 0.00 H new ATOM 0 HB ILE A 3 20.374 29.154 22.632 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.058 29.852 19.662 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.463 30.255 20.628 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.090 27.517 21.344 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.138 28.384 22.572 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.977 28.815 20.853 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.861 28.202 19.317 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.875 27.841 21.060 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.448 27.432 20.078 1.00 0.00 H new ATOM 56 N PHE A 4 20.757 31.857 23.932 1.00 0.00 N ATOM 57 CA PHE A 4 21.919 32.531 24.465 1.00 0.00 C ATOM 58 C PHE A 4 22.944 31.409 24.548 1.00 0.00 C ATOM 59 O PHE A 4 22.791 30.426 25.279 1.00 0.00 O ATOM 60 CB PHE A 4 21.685 33.151 25.845 1.00 0.00 C ATOM 61 CG PHE A 4 20.347 33.783 26.171 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.108 35.109 25.778 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.375 33.047 26.860 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.919 35.746 26.158 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.144 33.672 27.065 1.00 0.00 C ATOM 66 CZ PHE A 4 17.885 35.004 26.751 1.00 0.00 C ATOM 0 H PHE A 4 20.155 31.430 24.636 1.00 0.00 H new ATOM 0 HA PHE A 4 22.219 33.375 23.844 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.866 32.372 26.586 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.449 33.914 25.992 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.839 35.637 25.184 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.568 32.046 27.215 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.798 36.807 25.995 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.343 33.087 27.493 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.923 35.450 26.956 1.00 0.00 H new ATOM 76 N VAL A 5 24.066 31.636 23.879 1.00 0.00 N ATOM 77 CA VAL A 5 25.255 30.822 24.070 1.00 0.00 C ATOM 78 C VAL A 5 26.157 31.543 25.071 1.00 0.00 C ATOM 79 O VAL A 5 26.369 32.743 24.920 1.00 0.00 O ATOM 80 CB VAL A 5 26.019 30.729 22.752 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.238 29.818 22.865 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.210 30.213 21.560 1.00 0.00 C ATOM 0 H VAL A 5 24.176 32.384 23.194 1.00 0.00 H new ATOM 0 HA VAL A 5 24.976 29.828 24.418 1.00 0.00 H new ATOM 0 HB VAL A 5 26.293 31.767 22.563 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.754 29.779 21.905 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.915 30.208 23.625 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.918 28.815 23.145 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.845 30.185 20.674 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.844 29.209 21.776 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.364 30.876 21.380 1.00 0.00 H new ATOM 92 N LYS A 6 26.501 30.816 26.131 1.00 0.00 N ATOM 93 CA LYS A 6 27.247 31.368 27.237 1.00 0.00 C ATOM 94 C LYS A 6 28.657 30.787 27.109 1.00 0.00 C ATOM 95 O LYS A 6 28.866 29.574 27.208 1.00 0.00 O ATOM 96 CB LYS A 6 26.622 30.773 28.501 1.00 0.00 C ATOM 97 CG LYS A 6 26.893 31.452 29.847 1.00 0.00 C ATOM 98 CD LYS A 6 26.172 30.813 31.031 1.00 0.00 C ATOM 99 CE LYS A 6 26.480 31.264 32.448 1.00 0.00 C ATOM 100 NZ LYS A 6 27.798 30.928 33.017 1.00 0.00 N ATOM 0 H LYS A 6 26.266 29.829 26.239 1.00 0.00 H new ATOM 0 HA LYS A 6 27.251 32.458 27.260 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.542 30.748 28.355 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.957 29.739 28.580 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.966 31.436 30.039 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.597 32.499 29.778 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.103 30.954 30.872 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.362 29.741 30.985 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.369 32.348 32.484 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.718 30.844 33.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.863 31.300 33.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.916 29.895 33.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.547 31.352 32.433 1.00 0.00 H new ATOM 114 N THR A 7 29.664 31.632 26.986 1.00 0.00 N ATOM 115 CA THR A 7 31.082 31.331 26.941 1.00 0.00 C ATOM 116 C THR A 7 31.728 31.902 28.200 1.00 0.00 C ATOM 117 O THR A 7 31.054 32.554 28.998 1.00 0.00 O ATOM 118 CB THR A 7 31.580 31.730 25.554 1.00 0.00 C ATOM 119 OG1 THR A 7 31.845 33.106 25.379 1.00 0.00 O ATOM 120 CG2 THR A 7 30.717 31.262 24.377 1.00 0.00 C ATOM 0 H THR A 7 29.495 32.635 26.908 1.00 0.00 H new ATOM 0 HA THR A 7 31.366 30.281 27.006 1.00 0.00 H new ATOM 0 HB THR A 7 32.522 31.182 25.532 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.094 33.631 25.728 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.163 31.600 23.442 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.659 30.174 24.379 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.714 31.679 24.473 1.00 0.00 H new ATOM 128 N LEU A 8 33.060 31.902 28.300 1.00 0.00 N ATOM 129 CA LEU A 8 33.788 32.490 29.405 1.00 0.00 C ATOM 130 C LEU A 8 33.985 34.006 29.275 1.00 0.00 C ATOM 131 O LEU A 8 34.088 34.813 30.195 1.00 0.00 O ATOM 132 CB LEU A 8 35.214 31.965 29.299 1.00 0.00 C ATOM 133 CG LEU A 8 35.345 30.446 29.469 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.761 30.088 29.032 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.130 30.126 30.943 1.00 0.00 C ATOM 0 H LEU A 8 33.666 31.482 27.595 1.00 0.00 H new ATOM 0 HA LEU A 8 33.232 32.255 30.313 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.620 32.246 28.327 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.826 32.457 30.055 1.00 0.00 H new ATOM 0 HG LEU A 8 34.620 29.883 28.881 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.912 29.013 29.132 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.905 30.379 27.992 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.480 30.615 29.659 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.217 29.051 31.098 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.882 30.641 31.541 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.137 30.457 31.246 1.00 0.00 H new ATOM 147 N THR A 9 34.030 34.473 28.028 1.00 0.00 N ATOM 148 CA THR A 9 34.280 35.811 27.550 1.00 0.00 C ATOM 149 C THR A 9 33.089 36.205 26.682 1.00 0.00 C ATOM 150 O THR A 9 33.211 36.383 25.470 1.00 0.00 O ATOM 151 CB THR A 9 35.630 35.804 26.818 1.00 0.00 C ATOM 152 OG1 THR A 9 35.692 34.728 25.911 1.00 0.00 O ATOM 153 CG2 THR A 9 36.780 35.659 27.815 1.00 0.00 C ATOM 0 H THR A 9 33.872 33.838 27.245 1.00 0.00 H new ATOM 0 HA THR A 9 34.363 36.557 28.341 1.00 0.00 H new ATOM 0 HB THR A 9 35.722 36.749 26.282 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.914 34.757 25.316 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.729 35.656 27.278 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.762 36.494 28.515 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.670 34.723 28.363 1.00 0.00 H new ATOM 161 N GLY A 10 31.908 36.384 27.270 1.00 0.00 N ATOM 162 CA GLY A 10 30.674 36.781 26.639 1.00 0.00 C ATOM 163 C GLY A 10 29.674 35.706 27.062 1.00 0.00 C ATOM 164 O GLY A 10 29.692 34.684 26.382 1.00 0.00 O ATOM 0 H GLY A 10 31.792 36.242 28.273 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.358 37.771 26.969 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.777 36.825 25.555 1.00 0.00 H new ATOM 168 N LYS A 11 28.841 36.045 28.043 1.00 0.00 N ATOM 169 CA LYS A 11 27.806 35.221 28.645 1.00 0.00 C ATOM 170 C LYS A 11 26.557 35.169 27.769 1.00 0.00 C ATOM 171 O LYS A 11 25.856 34.158 27.697 1.00 0.00 O ATOM 172 CB LYS A 11 27.548 35.753 30.052 1.00 0.00 C ATOM 173 CG LYS A 11 27.176 37.210 30.312 1.00 0.00 C ATOM 174 CD LYS A 11 27.143 37.643 31.779 1.00 0.00 C ATOM 175 CE LYS A 11 26.973 39.157 31.937 1.00 0.00 C ATOM 176 NZ LYS A 11 27.157 39.722 33.284 1.00 0.00 N ATOM 0 H LYS A 11 28.878 36.972 28.466 1.00 0.00 H new ATOM 0 HA LYS A 11 28.130 34.183 28.723 1.00 0.00 H new ATOM 0 HB2 LYS A 11 26.749 35.145 30.476 1.00 0.00 H new ATOM 0 HB3 LYS A 11 28.447 35.550 30.634 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.886 37.845 29.782 1.00 0.00 H new ATOM 0 HG3 LYS A 11 26.194 37.397 29.877 1.00 0.00 H new ATOM 0 HD2 LYS A 11 26.324 37.133 32.287 1.00 0.00 H new ATOM 0 HD3 LYS A 11 28.066 37.331 32.268 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.679 39.647 31.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 25.973 39.421 31.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.014 40.752 33.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.467 39.298 33.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.120 39.516 33.618 1.00 0.00 H new ATOM 190 N THR A 12 26.296 36.270 27.082 1.00 0.00 N ATOM 191 CA THR A 12 25.038 36.527 26.398 1.00 0.00 C ATOM 192 C THR A 12 25.374 36.649 24.903 1.00 0.00 C ATOM 193 O THR A 12 25.005 37.538 24.144 1.00 0.00 O ATOM 194 CB THR A 12 24.277 37.750 26.891 1.00 0.00 C ATOM 195 OG1 THR A 12 24.194 37.595 28.298 1.00 0.00 O ATOM 196 CG2 THR A 12 22.833 38.060 26.522 1.00 0.00 C ATOM 0 H THR A 12 26.970 37.029 26.982 1.00 0.00 H new ATOM 0 HA THR A 12 24.356 35.702 26.607 1.00 0.00 H new ATOM 0 HB THR A 12 24.847 38.546 26.412 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.713 38.357 28.683 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.526 38.989 27.003 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.749 38.167 25.441 1.00 0.00 H new ATOM 0 HG23 THR A 12 22.189 37.247 26.858 1.00 0.00 H new ATOM 204 N ILE A 13 25.940 35.563 24.383 1.00 0.00 N ATOM 205 CA ILE A 13 26.106 35.471 22.941 1.00 0.00 C ATOM 206 C ILE A 13 24.757 35.029 22.373 1.00 0.00 C ATOM 207 O ILE A 13 24.342 33.885 22.567 1.00 0.00 O ATOM 208 CB ILE A 13 27.266 34.600 22.476 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.433 34.828 23.437 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.621 34.891 21.015 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.775 34.298 22.922 1.00 0.00 C ATOM 0 H ILE A 13 26.279 34.763 24.917 1.00 0.00 H new ATOM 0 HA ILE A 13 26.394 36.449 22.555 1.00 0.00 H new ATOM 0 HB ILE A 13 26.995 33.544 22.499 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.526 35.896 23.632 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.206 34.349 24.389 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.452 34.256 20.709 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.757 34.687 20.383 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.907 35.938 20.912 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.552 34.498 23.660 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.702 33.224 22.754 1.00 0.00 H new ATOM 0 HD13 ILE A 13 30.027 34.795 21.985 1.00 0.00 H new ATOM 223 N THR A 14 24.065 35.820 21.564 1.00 0.00 N ATOM 224 CA THR A 14 22.698 35.623 21.117 1.00 0.00 C ATOM 225 C THR A 14 22.797 35.124 19.666 1.00 0.00 C ATOM 226 O THR A 14 23.368 35.783 18.810 1.00 0.00 O ATOM 227 CB THR A 14 21.900 36.924 21.136 1.00 0.00 C ATOM 228 OG1 THR A 14 22.665 38.112 21.055 1.00 0.00 O ATOM 229 CG2 THR A 14 21.161 36.992 22.466 1.00 0.00 C ATOM 0 H THR A 14 24.473 36.672 21.179 1.00 0.00 H new ATOM 0 HA THR A 14 22.187 34.921 21.776 1.00 0.00 H new ATOM 0 HB THR A 14 21.264 36.889 20.252 1.00 0.00 H new ATOM 0 HG1 THR A 14 22.067 38.888 21.073 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.579 37.913 22.512 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.493 36.135 22.555 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.881 36.977 23.284 1.00 0.00 H new ATOM 237 N LEU A 15 22.295 33.931 19.359 1.00 0.00 N ATOM 238 CA LEU A 15 22.132 33.299 18.064 1.00 0.00 C ATOM 239 C LEU A 15 20.644 33.106 17.797 1.00 0.00 C ATOM 240 O LEU A 15 19.990 32.427 18.586 1.00 0.00 O ATOM 241 CB LEU A 15 22.956 32.015 18.058 1.00 0.00 C ATOM 242 CG LEU A 15 23.248 31.562 16.624 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.409 32.375 16.043 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.584 30.068 16.532 1.00 0.00 C ATOM 0 H LEU A 15 21.956 33.319 20.101 1.00 0.00 H new ATOM 0 HA LEU A 15 22.505 33.911 17.243 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.893 32.177 18.591 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.418 31.230 18.590 1.00 0.00 H new ATOM 0 HG LEU A 15 22.338 31.733 16.049 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.609 32.046 15.023 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.146 33.433 16.038 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.299 32.226 16.654 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.782 29.803 15.493 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.467 29.856 17.135 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.742 29.482 16.902 1.00 0.00 H new ATOM 256 N GLU A 16 20.119 33.387 16.607 1.00 0.00 N ATOM 257 CA GLU A 16 18.806 33.027 16.114 1.00 0.00 C ATOM 258 C GLU A 16 19.083 31.706 15.415 1.00 0.00 C ATOM 259 O GLU A 16 19.720 31.649 14.368 1.00 0.00 O ATOM 260 CB GLU A 16 18.461 34.156 15.138 1.00 0.00 C ATOM 261 CG GLU A 16 17.030 34.137 14.587 1.00 0.00 C ATOM 262 CD GLU A 16 15.934 34.444 15.595 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.734 35.625 15.928 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.240 33.483 15.986 1.00 0.00 O ATOM 0 H GLU A 16 20.648 33.914 15.913 1.00 0.00 H new ATOM 0 HA GLU A 16 17.990 32.917 16.829 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.626 35.110 15.640 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.156 34.113 14.299 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.963 34.859 13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.838 33.154 14.157 1.00 0.00 H new ATOM 271 N VAL A 17 18.506 30.630 15.956 1.00 0.00 N ATOM 272 CA VAL A 17 18.430 29.320 15.366 1.00 0.00 C ATOM 273 C VAL A 17 16.998 29.004 14.922 1.00 0.00 C ATOM 274 O VAL A 17 16.180 29.918 14.816 1.00 0.00 O ATOM 275 CB VAL A 17 19.105 28.269 16.252 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.603 28.573 16.229 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.639 28.105 17.694 1.00 0.00 C ATOM 0 H VAL A 17 18.057 30.668 16.871 1.00 0.00 H new ATOM 0 HA VAL A 17 19.012 29.296 14.444 1.00 0.00 H new ATOM 0 HB VAL A 17 18.818 27.311 15.818 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.131 27.848 16.849 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.971 28.511 15.205 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.777 29.577 16.617 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.221 27.320 18.177 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.779 29.043 18.231 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.583 27.834 17.707 1.00 0.00 H new ATOM 287 N GLU A 18 16.730 27.743 14.606 1.00 0.00 N ATOM 288 CA GLU A 18 15.485 27.063 14.307 1.00 0.00 C ATOM 289 C GLU A 18 15.535 25.686 14.983 1.00 0.00 C ATOM 290 O GLU A 18 16.596 25.075 15.024 1.00 0.00 O ATOM 291 CB GLU A 18 15.340 27.091 12.788 1.00 0.00 C ATOM 292 CG GLU A 18 14.144 26.448 12.092 1.00 0.00 C ATOM 293 CD GLU A 18 14.124 27.000 10.669 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.220 28.244 10.537 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.961 26.249 9.684 1.00 0.00 O ATOM 0 H GLU A 18 17.503 27.080 14.547 1.00 0.00 H new ATOM 0 HA GLU A 18 14.582 27.528 14.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.357 28.138 12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.235 26.626 12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.236 25.362 12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.217 26.686 12.614 1.00 0.00 H new ATOM 302 N PRO A 19 14.475 25.143 15.575 1.00 0.00 N ATOM 303 CA PRO A 19 14.380 23.791 16.077 1.00 0.00 C ATOM 304 C PRO A 19 14.929 22.646 15.224 1.00 0.00 C ATOM 305 O PRO A 19 15.524 21.715 15.772 1.00 0.00 O ATOM 306 CB PRO A 19 12.894 23.513 16.342 1.00 0.00 C ATOM 307 CG PRO A 19 12.457 24.895 16.826 1.00 0.00 C ATOM 308 CD PRO A 19 13.268 25.858 15.944 1.00 0.00 C ATOM 0 HA PRO A 19 15.030 23.784 16.952 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.361 23.196 15.445 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.741 22.739 17.094 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.384 25.043 16.701 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.677 25.038 17.884 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.701 26.148 15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.507 26.774 16.484 1.00 0.00 H new ATOM 316 N SER A 20 14.622 22.576 13.930 1.00 0.00 N ATOM 317 CA SER A 20 15.009 21.525 13.013 1.00 0.00 C ATOM 318 C SER A 20 16.330 21.954 12.363 1.00 0.00 C ATOM 319 O SER A 20 16.657 21.371 11.333 1.00 0.00 O ATOM 320 CB SER A 20 13.766 21.362 12.145 1.00 0.00 C ATOM 321 OG SER A 20 13.541 22.617 11.553 1.00 0.00 O ATOM 0 H SER A 20 14.063 23.298 13.475 1.00 0.00 H new ATOM 0 HA SER A 20 15.252 20.538 13.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.918 20.594 11.386 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.909 21.054 12.744 1.00 0.00 H new ATOM 0 HG SER A 20 12.749 22.570 10.978 1.00 0.00 H new ATOM 327 N ASP A 21 17.132 22.892 12.875 1.00 0.00 N ATOM 328 CA ASP A 21 18.474 23.195 12.427 1.00 0.00 C ATOM 329 C ASP A 21 19.537 22.221 12.936 1.00 0.00 C ATOM 330 O ASP A 21 19.329 21.641 14.007 1.00 0.00 O ATOM 331 CB ASP A 21 18.783 24.641 12.818 1.00 0.00 C ATOM 332 CG ASP A 21 19.767 25.399 11.940 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.821 24.985 10.756 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.260 26.507 12.235 1.00 0.00 O ATOM 0 H ASP A 21 16.838 23.484 13.652 1.00 0.00 H new ATOM 0 HA ASP A 21 18.510 23.076 11.344 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.845 25.196 12.832 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.169 24.641 13.837 1.00 0.00 H new ATOM 339 N THR A 22 20.599 21.848 12.236 1.00 0.00 N ATOM 340 CA THR A 22 21.620 20.914 12.662 1.00 0.00 C ATOM 341 C THR A 22 22.788 21.643 13.326 1.00 0.00 C ATOM 342 O THR A 22 23.208 22.725 12.912 1.00 0.00 O ATOM 343 CB THR A 22 22.062 19.977 11.530 1.00 0.00 C ATOM 344 OG1 THR A 22 22.630 20.622 10.422 1.00 0.00 O ATOM 345 CG2 THR A 22 20.972 19.032 11.031 1.00 0.00 C ATOM 0 H THR A 22 20.777 22.214 11.301 1.00 0.00 H new ATOM 0 HA THR A 22 21.180 20.266 13.420 1.00 0.00 H new ATOM 0 HB THR A 22 22.837 19.391 12.023 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.885 19.955 9.750 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.370 18.407 10.232 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.634 18.400 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.132 19.614 10.652 1.00 0.00 H new ATOM 353 N ILE A 23 23.515 20.975 14.220 1.00 0.00 N ATOM 354 CA ILE A 23 24.599 21.541 14.996 1.00 0.00 C ATOM 355 C ILE A 23 25.730 22.138 14.169 1.00 0.00 C ATOM 356 O ILE A 23 26.275 23.148 14.589 1.00 0.00 O ATOM 357 CB ILE A 23 25.198 20.577 16.026 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.147 19.854 16.868 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.284 21.227 16.893 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.961 20.699 17.351 1.00 0.00 C ATOM 0 H ILE A 23 23.353 19.989 14.426 1.00 0.00 H new ATOM 0 HA ILE A 23 24.100 22.354 15.523 1.00 0.00 H new ATOM 0 HB ILE A 23 25.691 19.805 15.435 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.757 19.020 16.285 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.642 19.429 17.741 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.670 20.495 17.603 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.096 21.578 16.256 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.859 22.071 17.437 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.285 20.076 17.937 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.326 21.519 17.969 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.428 21.103 16.490 1.00 0.00 H new ATOM 372 N GLU A 24 25.954 21.682 12.931 1.00 0.00 N ATOM 373 CA GLU A 24 27.099 22.005 12.103 1.00 0.00 C ATOM 374 C GLU A 24 26.839 23.353 11.428 1.00 0.00 C ATOM 375 O GLU A 24 27.772 24.096 11.137 1.00 0.00 O ATOM 376 CB GLU A 24 27.245 20.895 11.053 1.00 0.00 C ATOM 377 CG GLU A 24 28.621 20.793 10.393 1.00 0.00 C ATOM 378 CD GLU A 24 29.779 20.577 11.370 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.584 19.845 12.360 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.866 21.162 11.172 1.00 0.00 O ATOM 0 H GLU A 24 25.304 21.048 12.466 1.00 0.00 H new ATOM 0 HA GLU A 24 28.015 22.074 12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.015 19.940 11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.498 21.054 10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.607 19.970 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.806 21.705 9.826 1.00 0.00 H new ATOM 387 N ASN A 25 25.576 23.772 11.388 1.00 0.00 N ATOM 388 CA ASN A 25 25.073 25.012 10.830 1.00 0.00 C ATOM 389 C ASN A 25 25.230 26.102 11.888 1.00 0.00 C ATOM 390 O ASN A 25 25.529 27.237 11.523 1.00 0.00 O ATOM 391 CB ASN A 25 23.578 24.797 10.583 1.00 0.00 C ATOM 392 CG ASN A 25 23.123 25.806 9.546 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.523 25.793 8.377 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.140 26.645 9.855 1.00 0.00 N ATOM 0 H ASN A 25 24.824 23.204 11.777 1.00 0.00 H new ATOM 0 HA ASN A 25 25.598 25.293 9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.392 23.781 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.017 24.923 11.509 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.742 27.250 9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.784 26.684 10.810 1.00 0.00 H new ATOM 401 N VAL A 26 25.063 25.791 13.166 1.00 0.00 N ATOM 402 CA VAL A 26 25.215 26.644 14.331 1.00 0.00 C ATOM 403 C VAL A 26 26.690 27.048 14.418 1.00 0.00 C ATOM 404 O VAL A 26 27.084 28.210 14.413 1.00 0.00 O ATOM 405 CB VAL A 26 24.591 25.905 15.514 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.736 26.696 16.809 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.097 25.599 15.376 1.00 0.00 C ATOM 0 H VAL A 26 24.792 24.845 13.436 1.00 0.00 H new ATOM 0 HA VAL A 26 24.685 27.596 14.297 1.00 0.00 H new ATOM 0 HB VAL A 26 25.144 24.966 15.531 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.281 26.139 17.628 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.793 26.855 17.022 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.238 27.660 16.704 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.750 25.074 16.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.543 26.531 15.266 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.933 24.974 14.498 1.00 0.00 H new ATOM 417 N LYS A 27 27.572 26.054 14.369 1.00 0.00 N ATOM 418 CA LYS A 27 29.016 26.130 14.300 1.00 0.00 C ATOM 419 C LYS A 27 29.693 26.861 13.132 1.00 0.00 C ATOM 420 O LYS A 27 30.716 27.508 13.340 1.00 0.00 O ATOM 421 CB LYS A 27 29.571 24.711 14.428 1.00 0.00 C ATOM 422 CG LYS A 27 29.180 23.852 15.631 1.00 0.00 C ATOM 423 CD LYS A 27 30.205 22.743 15.895 1.00 0.00 C ATOM 424 CE LYS A 27 30.062 21.555 14.938 1.00 0.00 C ATOM 425 NZ LYS A 27 31.105 20.530 15.014 1.00 0.00 N ATOM 0 H LYS A 27 27.256 25.084 14.378 1.00 0.00 H new ATOM 0 HA LYS A 27 29.270 26.793 15.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.281 24.165 13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.658 24.784 14.419 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.092 24.483 16.515 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.200 23.408 15.457 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.210 23.156 15.805 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.095 22.391 16.921 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.100 21.078 15.126 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.034 21.939 13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.055 19.921 14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.038 20.987 15.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.964 19.953 15.868 1.00 0.00 H new ATOM 439 N ALA A 28 29.186 26.735 11.910 1.00 0.00 N ATOM 440 CA ALA A 28 29.358 27.552 10.728 1.00 0.00 C ATOM 441 C ALA A 28 28.790 28.961 10.879 1.00 0.00 C ATOM 442 O ALA A 28 29.296 29.864 10.219 1.00 0.00 O ATOM 443 CB ALA A 28 28.738 26.803 9.551 1.00 0.00 C ATOM 0 H ALA A 28 28.564 25.952 11.707 1.00 0.00 H new ATOM 0 HA ALA A 28 30.423 27.709 10.556 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.852 27.395 8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.240 25.844 9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.678 26.635 9.744 1.00 0.00 H new ATOM 449 N LYS A 29 27.782 29.225 11.714 1.00 0.00 N ATOM 450 CA LYS A 29 27.332 30.571 11.985 1.00 0.00 C ATOM 451 C LYS A 29 28.249 31.326 12.958 1.00 0.00 C ATOM 452 O LYS A 29 28.538 32.481 12.653 1.00 0.00 O ATOM 453 CB LYS A 29 25.876 30.652 12.447 1.00 0.00 C ATOM 454 CG LYS A 29 25.118 31.948 12.158 1.00 0.00 C ATOM 455 CD LYS A 29 23.592 31.821 12.129 1.00 0.00 C ATOM 456 CE LYS A 29 23.017 31.175 10.867 1.00 0.00 C ATOM 457 NZ LYS A 29 21.697 30.639 11.235 1.00 0.00 N ATOM 0 H LYS A 29 27.262 28.505 12.215 1.00 0.00 H new ATOM 0 HA LYS A 29 27.388 31.071 11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.329 29.831 11.983 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.854 30.482 13.523 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.390 32.685 12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.452 32.338 11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.275 31.237 12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.158 32.815 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.928 31.906 10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.671 30.381 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.262 30.187 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.807 29.937 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.088 31.414 11.566 1.00 0.00 H new ATOM 471 N ILE A 30 28.631 30.723 14.072 1.00 0.00 N ATOM 472 CA ILE A 30 29.562 31.133 15.104 1.00 0.00 C ATOM 473 C ILE A 30 30.941 31.495 14.549 1.00 0.00 C ATOM 474 O ILE A 30 31.522 32.471 15.012 1.00 0.00 O ATOM 475 CB ILE A 30 29.474 30.181 16.283 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.098 30.376 16.933 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.514 30.464 17.374 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.866 29.328 18.018 1.00 0.00 C ATOM 0 H ILE A 30 28.239 29.810 14.301 1.00 0.00 H new ATOM 0 HA ILE A 30 29.275 32.095 15.530 1.00 0.00 H new ATOM 0 HB ILE A 30 29.646 29.175 15.899 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.031 31.375 17.364 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.318 30.303 16.175 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.394 29.747 18.186 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.516 30.373 16.954 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.372 31.474 17.758 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.885 29.481 18.468 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.911 28.332 17.577 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.636 29.421 18.784 1.00 0.00 H new ATOM 490 N GLN A 31 31.579 30.730 13.657 1.00 0.00 N ATOM 491 CA GLN A 31 32.898 30.985 13.126 1.00 0.00 C ATOM 492 C GLN A 31 33.077 32.303 12.370 1.00 0.00 C ATOM 493 O GLN A 31 34.204 32.775 12.245 1.00 0.00 O ATOM 494 CB GLN A 31 33.133 29.816 12.163 1.00 0.00 C ATOM 495 CG GLN A 31 34.577 29.793 11.681 1.00 0.00 C ATOM 496 CD GLN A 31 34.928 28.712 10.679 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.094 28.340 10.531 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.953 28.142 9.974 1.00 0.00 N ATOM 0 H GLN A 31 31.161 29.881 13.276 1.00 0.00 H new ATOM 0 HA GLN A 31 33.602 31.070 13.953 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.896 28.876 12.661 1.00 0.00 H new ATOM 0 HB3 GLN A 31 32.461 29.902 11.309 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.805 30.761 11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 31 35.227 29.680 12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.988 28.450 10.096 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.171 27.398 9.312 1.00 0.00 H new ATOM 507 N ASP A 32 31.994 32.913 11.895 1.00 0.00 N ATOM 508 CA ASP A 32 32.139 34.151 11.145 1.00 0.00 C ATOM 509 C ASP A 32 31.960 35.283 12.163 1.00 0.00 C ATOM 510 O ASP A 32 32.578 36.344 12.107 1.00 0.00 O ATOM 511 CB ASP A 32 30.943 34.162 10.204 1.00 0.00 C ATOM 512 CG ASP A 32 30.579 35.496 9.579 1.00 0.00 C ATOM 513 OD1 ASP A 32 31.470 36.049 8.892 1.00 0.00 O ATOM 514 OD2 ASP A 32 29.427 35.994 9.690 1.00 0.00 O ATOM 0 H ASP A 32 31.036 32.582 12.012 1.00 0.00 H new ATOM 0 HA ASP A 32 33.086 34.251 10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 32 31.136 33.451 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 32 30.075 33.795 10.752 1.00 0.00 H new ATOM 519 N LYS A 33 31.047 35.027 13.092 1.00 0.00 N ATOM 520 CA LYS A 33 30.738 35.944 14.176 1.00 0.00 C ATOM 521 C LYS A 33 31.845 36.046 15.221 1.00 0.00 C ATOM 522 O LYS A 33 32.341 37.145 15.497 1.00 0.00 O ATOM 523 CB LYS A 33 29.382 35.661 14.835 1.00 0.00 C ATOM 524 CG LYS A 33 28.332 36.766 14.729 1.00 0.00 C ATOM 525 CD LYS A 33 27.750 36.815 13.311 1.00 0.00 C ATOM 526 CE LYS A 33 26.773 37.967 13.081 1.00 0.00 C ATOM 527 NZ LYS A 33 26.858 38.638 11.769 1.00 0.00 N ATOM 0 H LYS A 33 30.497 34.168 13.112 1.00 0.00 H new ATOM 0 HA LYS A 33 30.667 36.920 13.696 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.970 34.754 14.393 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.552 35.452 15.891 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.534 36.589 15.451 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.780 37.728 14.979 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.568 36.898 12.596 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.241 35.873 13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.759 37.587 13.207 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.933 38.713 13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.152 39.401 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.810 39.039 11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.672 37.948 11.013 1.00 0.00 H new ATOM 541 N GLU A 34 32.313 34.973 15.837 1.00 0.00 N ATOM 542 CA GLU A 34 33.150 34.983 17.028 1.00 0.00 C ATOM 543 C GLU A 34 34.499 34.353 16.683 1.00 0.00 C ATOM 544 O GLU A 34 35.509 34.531 17.358 1.00 0.00 O ATOM 545 CB GLU A 34 32.534 34.110 18.129 1.00 0.00 C ATOM 546 CG GLU A 34 31.350 34.651 18.930 1.00 0.00 C ATOM 547 CD GLU A 34 31.590 35.932 19.716 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.495 35.871 20.581 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.088 36.989 19.288 1.00 0.00 O ATOM 0 H GLU A 34 32.112 34.029 15.507 1.00 0.00 H new ATOM 0 HA GLU A 34 33.248 36.014 17.368 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.219 33.174 17.668 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.326 33.866 18.837 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.523 34.823 18.242 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.028 33.878 19.628 1.00 0.00 H new ATOM 556 N GLY A 35 34.605 33.542 15.631 1.00 0.00 N ATOM 557 CA GLY A 35 35.896 33.194 15.072 1.00 0.00 C ATOM 558 C GLY A 35 36.344 31.763 15.382 1.00 0.00 C ATOM 559 O GLY A 35 37.516 31.444 15.255 1.00 0.00 O ATOM 0 H GLY A 35 33.809 33.118 15.154 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.860 33.326 13.991 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.645 33.889 15.453 1.00 0.00 H new ATOM 563 N ILE A 36 35.463 30.923 15.918 1.00 0.00 N ATOM 564 CA ILE A 36 35.884 29.664 16.518 1.00 0.00 C ATOM 565 C ILE A 36 35.641 28.585 15.462 1.00 0.00 C ATOM 566 O ILE A 36 34.509 28.270 15.116 1.00 0.00 O ATOM 567 CB ILE A 36 35.195 29.353 17.848 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.161 30.550 18.799 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.865 28.175 18.562 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.488 31.289 18.956 1.00 0.00 C ATOM 0 H ILE A 36 34.457 31.092 15.948 1.00 0.00 H new ATOM 0 HA ILE A 36 36.938 29.716 16.791 1.00 0.00 H new ATOM 0 HB ILE A 36 34.168 29.096 17.589 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.410 31.255 18.444 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.836 30.205 19.781 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.351 27.980 19.503 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.812 27.289 17.930 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.909 28.417 18.762 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.362 32.120 19.649 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.242 30.604 19.344 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.809 31.670 17.987 1.00 0.00 H new ATOM 582 N PRO A 37 36.629 27.827 15.003 1.00 0.00 N ATOM 583 CA PRO A 37 36.346 26.933 13.896 1.00 0.00 C ATOM 584 C PRO A 37 35.605 25.673 14.340 1.00 0.00 C ATOM 585 O PRO A 37 35.713 25.210 15.481 1.00 0.00 O ATOM 586 CB PRO A 37 37.674 26.613 13.200 1.00 0.00 C ATOM 587 CG PRO A 37 38.686 26.919 14.308 1.00 0.00 C ATOM 588 CD PRO A 37 38.054 27.943 15.254 1.00 0.00 C ATOM 0 HA PRO A 37 35.671 27.422 13.194 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.725 25.574 12.874 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.833 27.232 12.317 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.946 26.009 14.849 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.610 27.312 13.883 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.294 27.725 16.295 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.414 28.951 15.048 1.00 0.00 H new ATOM 596 N PRO A 38 34.860 25.093 13.404 1.00 0.00 N ATOM 597 CA PRO A 38 33.703 24.277 13.734 1.00 0.00 C ATOM 598 C PRO A 38 34.092 22.907 14.300 1.00 0.00 C ATOM 599 O PRO A 38 33.351 22.402 15.133 1.00 0.00 O ATOM 600 CB PRO A 38 32.929 24.086 12.438 1.00 0.00 C ATOM 601 CG PRO A 38 33.907 24.365 11.304 1.00 0.00 C ATOM 602 CD PRO A 38 34.967 25.243 11.969 1.00 0.00 C ATOM 0 HA PRO A 38 33.115 24.775 14.505 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.533 23.073 12.368 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.077 24.765 12.391 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.337 23.445 10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.424 24.877 10.472 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.963 24.954 11.632 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.825 26.286 11.686 1.00 0.00 H new ATOM 610 N ASP A 39 35.209 22.344 13.835 1.00 0.00 N ATOM 611 CA ASP A 39 35.714 21.083 14.321 1.00 0.00 C ATOM 612 C ASP A 39 36.344 21.189 15.715 1.00 0.00 C ATOM 613 O ASP A 39 36.502 20.208 16.424 1.00 0.00 O ATOM 614 CB ASP A 39 36.789 20.637 13.331 1.00 0.00 C ATOM 615 CG ASP A 39 36.228 20.372 11.942 1.00 0.00 C ATOM 616 OD1 ASP A 39 35.001 20.282 11.710 1.00 0.00 O ATOM 617 OD2 ASP A 39 36.982 20.281 10.945 1.00 0.00 O ATOM 0 H ASP A 39 35.785 22.763 13.105 1.00 0.00 H new ATOM 0 HA ASP A 39 34.887 20.378 14.403 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.561 21.404 13.267 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.269 19.732 13.704 1.00 0.00 H new ATOM 622 N GLN A 40 36.718 22.404 16.120 1.00 0.00 N ATOM 623 CA GLN A 40 37.341 22.764 17.375 1.00 0.00 C ATOM 624 C GLN A 40 36.282 23.122 18.417 1.00 0.00 C ATOM 625 O GLN A 40 36.589 23.108 19.599 1.00 0.00 O ATOM 626 CB GLN A 40 38.413 23.860 17.240 1.00 0.00 C ATOM 627 CG GLN A 40 39.813 23.357 16.911 1.00 0.00 C ATOM 628 CD GLN A 40 39.938 22.721 15.531 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.218 23.072 14.595 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.891 21.795 15.439 1.00 0.00 N ATOM 0 H GLN A 40 36.578 23.220 15.524 1.00 0.00 H new ATOM 0 HA GLN A 40 37.881 21.882 17.721 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.102 24.557 16.462 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.455 24.422 18.173 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.512 24.190 16.980 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.111 22.627 17.664 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.450 21.555 16.258 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.062 21.326 14.550 1.00 0.00 H new ATOM 639 N GLN A 41 35.033 23.396 18.045 1.00 0.00 N ATOM 640 CA GLN A 41 33.888 23.761 18.868 1.00 0.00 C ATOM 641 C GLN A 41 33.103 22.542 19.349 1.00 0.00 C ATOM 642 O GLN A 41 32.745 21.666 18.566 1.00 0.00 O ATOM 643 CB GLN A 41 32.819 24.524 18.075 1.00 0.00 C ATOM 644 CG GLN A 41 33.035 25.979 17.675 1.00 0.00 C ATOM 645 CD GLN A 41 31.838 26.496 16.888 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.663 26.313 17.222 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.184 27.191 15.810 1.00 0.00 N ATOM 0 H GLN A 41 34.775 23.364 17.059 1.00 0.00 H new ATOM 0 HA GLN A 41 34.335 24.341 19.675 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.639 23.963 17.158 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.899 24.485 18.658 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.184 26.589 18.566 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.940 26.067 17.073 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.169 27.314 15.577 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.464 27.602 15.215 1.00 0.00 H new ATOM 656 N ARG A 42 32.822 22.441 20.638 1.00 0.00 N ATOM 657 CA ARG A 42 31.980 21.416 21.226 1.00 0.00 C ATOM 658 C ARG A 42 30.858 22.236 21.864 1.00 0.00 C ATOM 659 O ARG A 42 31.022 23.391 22.240 1.00 0.00 O ATOM 660 CB ARG A 42 32.717 20.567 22.260 1.00 0.00 C ATOM 661 CG ARG A 42 33.812 19.759 21.559 1.00 0.00 C ATOM 662 CD ARG A 42 34.647 19.015 22.602 1.00 0.00 C ATOM 663 NE ARG A 42 34.869 17.604 22.289 1.00 0.00 N ATOM 664 CZ ARG A 42 35.841 16.782 22.721 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.741 17.152 23.639 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.852 15.555 22.200 1.00 0.00 N ATOM 0 H ARG A 42 33.189 23.096 21.328 1.00 0.00 H new ATOM 0 HA ARG A 42 31.631 20.687 20.495 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.154 21.206 23.027 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.019 19.897 22.762 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.365 19.050 20.863 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.449 20.422 20.974 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.613 19.511 22.701 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.151 19.088 23.570 1.00 0.00 H new ATOM 0 HE ARG A 42 34.191 17.184 21.653 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.706 18.090 24.039 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.463 16.496 23.939 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.147 15.286 21.513 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.565 14.885 22.488 1.00 0.00 H new ATOM 680 N LEU A 43 29.694 21.633 22.055 1.00 0.00 N ATOM 681 CA LEU A 43 28.543 22.272 22.689 1.00 0.00 C ATOM 682 C LEU A 43 27.956 21.407 23.793 1.00 0.00 C ATOM 683 O LEU A 43 27.914 20.191 23.599 1.00 0.00 O ATOM 684 CB LEU A 43 27.495 22.657 21.643 1.00 0.00 C ATOM 685 CG LEU A 43 27.879 23.732 20.623 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.630 23.175 19.421 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.659 24.599 20.299 1.00 0.00 C ATOM 0 H LEU A 43 29.517 20.670 21.770 1.00 0.00 H new ATOM 0 HA LEU A 43 28.888 23.190 23.165 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.219 21.756 21.095 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.603 22.996 22.169 1.00 0.00 H new ATOM 0 HG LEU A 43 28.617 24.400 21.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.873 23.987 18.736 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.550 22.696 19.757 1.00 0.00 H new ATOM 0 HD13 LEU A 43 28.005 22.443 18.909 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.938 25.362 19.573 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.869 23.974 19.883 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.301 25.078 21.210 1.00 0.00 H new ATOM 699 N ILE A 44 27.441 21.916 24.916 1.00 0.00 N ATOM 700 CA ILE A 44 26.788 21.209 25.995 1.00 0.00 C ATOM 701 C ILE A 44 25.465 21.825 26.423 1.00 0.00 C ATOM 702 O ILE A 44 25.342 23.050 26.372 1.00 0.00 O ATOM 703 CB ILE A 44 27.772 21.089 27.158 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.052 20.300 26.856 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.151 20.443 28.402 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.065 20.555 27.974 1.00 0.00 C ATOM 0 H ILE A 44 27.479 22.919 25.098 1.00 0.00 H new ATOM 0 HA ILE A 44 26.514 20.217 25.635 1.00 0.00 H new ATOM 0 HB ILE A 44 28.033 22.132 27.336 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.830 19.235 26.783 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.466 20.606 25.895 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.898 20.385 29.193 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.308 21.045 28.742 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.805 19.439 28.156 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.980 19.999 27.770 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.291 21.620 28.024 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.646 20.228 28.926 1.00 0.00 H new ATOM 718 N PHE A 45 24.463 21.037 26.798 1.00 0.00 N ATOM 719 CA PHE A 45 23.172 21.323 27.396 1.00 0.00 C ATOM 720 C PHE A 45 22.633 20.178 28.261 1.00 0.00 C ATOM 721 O PHE A 45 22.660 19.038 27.792 1.00 0.00 O ATOM 722 CB PHE A 45 22.209 21.800 26.309 1.00 0.00 C ATOM 723 CG PHE A 45 20.788 22.043 26.764 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.501 23.238 27.441 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.764 21.099 26.654 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.241 23.561 27.953 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.546 21.321 27.308 1.00 0.00 C ATOM 728 CZ PHE A 45 18.235 22.601 27.803 1.00 0.00 C ATOM 0 H PHE A 45 24.560 20.030 26.666 1.00 0.00 H new ATOM 0 HA PHE A 45 23.290 22.135 28.114 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.599 22.724 25.882 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.195 21.060 25.509 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.301 23.951 27.574 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.911 20.204 26.068 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.053 24.506 28.441 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.845 20.509 27.433 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.216 22.843 28.068 1.00 0.00 H new ATOM 738 N ALA A 46 22.353 20.519 29.514 1.00 0.00 N ATOM 739 CA ALA A 46 21.913 19.689 30.612 1.00 0.00 C ATOM 740 C ALA A 46 22.619 18.359 30.886 1.00 0.00 C ATOM 741 O ALA A 46 22.093 17.313 31.241 1.00 0.00 O ATOM 742 CB ALA A 46 20.454 19.328 30.356 1.00 0.00 C ATOM 0 H ALA A 46 22.441 21.491 29.809 1.00 0.00 H new ATOM 0 HA ALA A 46 22.135 20.307 31.482 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.087 18.700 31.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.858 20.239 30.304 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.373 18.787 29.413 1.00 0.00 H new ATOM 748 N GLY A 47 23.940 18.342 30.704 1.00 0.00 N ATOM 749 CA GLY A 47 24.882 17.296 31.042 1.00 0.00 C ATOM 750 C GLY A 47 25.244 16.421 29.842 1.00 0.00 C ATOM 751 O GLY A 47 25.987 15.470 30.072 1.00 0.00 O ATOM 0 H GLY A 47 24.412 19.138 30.276 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.789 17.746 31.446 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.459 16.671 31.828 1.00 0.00 H new ATOM 755 N LYS A 48 24.733 16.612 28.622 1.00 0.00 N ATOM 756 CA LYS A 48 24.987 15.834 27.434 1.00 0.00 C ATOM 757 C LYS A 48 25.737 16.782 26.486 1.00 0.00 C ATOM 758 O LYS A 48 25.413 17.957 26.386 1.00 0.00 O ATOM 759 CB LYS A 48 23.771 15.238 26.726 1.00 0.00 C ATOM 760 CG LYS A 48 23.296 13.920 27.345 1.00 0.00 C ATOM 761 CD LYS A 48 22.924 13.953 28.828 1.00 0.00 C ATOM 762 CE LYS A 48 21.985 12.852 29.316 1.00 0.00 C ATOM 763 NZ LYS A 48 22.617 11.522 29.282 1.00 0.00 N ATOM 0 H LYS A 48 24.083 17.376 28.439 1.00 0.00 H new ATOM 0 HA LYS A 48 25.547 14.947 27.731 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.954 15.959 26.752 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.015 15.072 25.677 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.428 13.574 26.784 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.081 13.177 27.208 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.843 13.902 29.412 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.462 14.917 29.043 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.666 13.074 30.334 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.088 12.842 28.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.942 10.808 29.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.898 11.296 28.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.458 11.522 29.894 1.00 0.00 H new ATOM 777 N GLN A 49 26.747 16.222 25.829 1.00 0.00 N ATOM 778 CA GLN A 49 27.593 16.966 24.918 1.00 0.00 C ATOM 779 C GLN A 49 27.083 16.713 23.494 1.00 0.00 C ATOM 780 O GLN A 49 26.856 15.574 23.093 1.00 0.00 O ATOM 781 CB GLN A 49 28.943 16.314 25.176 1.00 0.00 C ATOM 782 CG GLN A 49 30.053 17.114 24.500 1.00 0.00 C ATOM 783 CD GLN A 49 31.365 16.871 25.229 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.837 15.751 25.363 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.115 17.907 25.607 1.00 0.00 N ATOM 0 H GLN A 49 26.998 15.237 25.917 1.00 0.00 H new ATOM 0 HA GLN A 49 27.621 18.048 25.045 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.128 16.256 26.249 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.939 15.292 24.798 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.145 16.819 23.455 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.809 18.176 24.511 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.757 18.857 25.511 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.046 17.749 25.992 1.00 0.00 H new ATOM 794 N LEU A 50 26.799 17.819 22.815 1.00 0.00 N ATOM 795 CA LEU A 50 26.075 17.702 21.564 1.00 0.00 C ATOM 796 C LEU A 50 26.916 17.024 20.479 1.00 0.00 C ATOM 797 O LEU A 50 28.070 17.378 20.255 1.00 0.00 O ATOM 798 CB LEU A 50 25.420 18.968 21.023 1.00 0.00 C ATOM 799 CG LEU A 50 24.750 19.850 22.074 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.023 21.026 21.426 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.741 19.077 22.930 1.00 0.00 C ATOM 0 H LEU A 50 27.048 18.767 23.097 1.00 0.00 H new ATOM 0 HA LEU A 50 25.233 17.065 21.837 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.177 19.557 20.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.674 18.684 20.280 1.00 0.00 H new ATOM 0 HG LEU A 50 25.555 20.211 22.715 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.556 21.636 22.199 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.737 21.632 20.868 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.257 20.651 20.748 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.293 19.750 23.661 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.961 18.666 22.290 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.251 18.265 23.449 1.00 0.00 H new ATOM 813 N GLU A 51 26.350 16.028 19.797 1.00 0.00 N ATOM 814 CA GLU A 51 26.934 15.126 18.828 1.00 0.00 C ATOM 815 C GLU A 51 26.557 15.449 17.381 1.00 0.00 C ATOM 816 O GLU A 51 25.710 16.250 17.000 1.00 0.00 O ATOM 817 CB GLU A 51 26.469 13.725 19.226 1.00 0.00 C ATOM 818 CG GLU A 51 27.316 12.643 18.551 1.00 0.00 C ATOM 819 CD GLU A 51 26.740 11.299 18.989 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.338 11.146 20.167 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.664 10.315 18.231 1.00 0.00 O ATOM 0 H GLU A 51 25.361 15.818 19.932 1.00 0.00 H new ATOM 0 HA GLU A 51 28.020 15.219 18.846 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.529 13.614 20.309 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.423 13.595 18.950 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.281 12.744 17.466 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.362 12.730 18.845 1.00 0.00 H new ATOM 828 N ASP A 52 27.445 15.021 16.484 1.00 0.00 N ATOM 829 CA ASP A 52 27.369 15.118 15.042 1.00 0.00 C ATOM 830 C ASP A 52 26.023 14.728 14.425 1.00 0.00 C ATOM 831 O ASP A 52 25.656 13.596 14.733 1.00 0.00 O ATOM 832 CB ASP A 52 28.552 14.384 14.420 1.00 0.00 C ATOM 833 CG ASP A 52 29.886 15.024 14.747 1.00 0.00 C ATOM 834 OD1 ASP A 52 30.265 15.937 13.986 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.609 14.654 15.703 1.00 0.00 O ATOM 0 H ASP A 52 28.305 14.560 16.781 1.00 0.00 H new ATOM 0 HA ASP A 52 27.436 16.178 14.797 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.556 13.351 14.769 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.425 14.354 13.338 1.00 0.00 H new ATOM 840 N GLY A 53 25.291 15.437 13.581 1.00 0.00 N ATOM 841 CA GLY A 53 24.219 14.873 12.787 1.00 0.00 C ATOM 842 C GLY A 53 22.839 15.088 13.426 1.00 0.00 C ATOM 843 O GLY A 53 21.855 14.803 12.753 1.00 0.00 O ATOM 0 H GLY A 53 25.430 16.436 13.428 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.231 15.323 11.794 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.392 13.805 12.655 1.00 0.00 H new ATOM 847 N ARG A 54 22.790 15.698 14.612 1.00 0.00 N ATOM 848 CA ARG A 54 21.634 15.887 15.463 1.00 0.00 C ATOM 849 C ARG A 54 21.146 17.320 15.240 1.00 0.00 C ATOM 850 O ARG A 54 21.761 18.240 14.701 1.00 0.00 O ATOM 851 CB ARG A 54 22.191 15.771 16.878 1.00 0.00 C ATOM 852 CG ARG A 54 22.651 14.417 17.420 1.00 0.00 C ATOM 853 CD ARG A 54 21.735 13.219 17.136 1.00 0.00 C ATOM 854 NE ARG A 54 22.408 12.071 17.740 1.00 0.00 N ATOM 855 CZ ARG A 54 23.535 11.410 17.425 1.00 0.00 C ATOM 856 NH1 ARG A 54 24.312 11.828 16.424 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.830 10.328 18.145 1.00 0.00 N ATOM 0 H ARG A 54 23.630 16.102 15.027 1.00 0.00 H new ATOM 0 HA ARG A 54 20.821 15.185 15.276 1.00 0.00 H new ATOM 0 HB2 ARG A 54 23.040 16.451 16.947 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.426 16.147 17.557 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.635 14.200 17.005 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.773 14.505 18.500 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.746 13.368 17.569 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.596 13.075 16.065 1.00 0.00 H new ATOM 0 HE ARG A 54 21.929 11.699 18.560 1.00 0.00 H new ATOM 0 HH11 ARG A 54 24.053 12.657 15.889 1.00 0.00 H new ATOM 0 HH12 ARG A 54 25.165 11.319 16.194 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.210 10.033 18.900 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.675 9.795 17.941 1.00 0.00 H new ATOM 871 N THR A 55 19.993 17.639 15.831 1.00 0.00 N ATOM 872 CA THR A 55 19.427 18.956 15.982 1.00 0.00 C ATOM 873 C THR A 55 19.225 19.359 17.453 1.00 0.00 C ATOM 874 O THR A 55 19.435 18.630 18.410 1.00 0.00 O ATOM 875 CB THR A 55 18.129 18.955 15.171 1.00 0.00 C ATOM 876 OG1 THR A 55 17.153 18.145 15.769 1.00 0.00 O ATOM 877 CG2 THR A 55 18.193 18.519 13.707 1.00 0.00 C ATOM 0 H THR A 55 19.396 16.922 16.243 1.00 0.00 H new ATOM 0 HA THR A 55 20.111 19.717 15.607 1.00 0.00 H new ATOM 0 HB THR A 55 17.890 20.018 15.173 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.498 17.233 15.864 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.197 18.571 13.268 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.866 19.179 13.160 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.562 17.495 13.648 1.00 0.00 H new ATOM 885 N LEU A 56 18.674 20.566 17.614 1.00 0.00 N ATOM 886 CA LEU A 56 18.032 21.169 18.756 1.00 0.00 C ATOM 887 C LEU A 56 16.949 20.282 19.363 1.00 0.00 C ATOM 888 O LEU A 56 16.839 20.138 20.587 1.00 0.00 O ATOM 889 CB LEU A 56 17.531 22.577 18.411 1.00 0.00 C ATOM 890 CG LEU A 56 18.508 23.667 17.976 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.446 24.100 19.099 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.226 23.327 16.673 1.00 0.00 C ATOM 0 H LEU A 56 18.676 21.220 16.831 1.00 0.00 H new ATOM 0 HA LEU A 56 18.782 21.272 19.541 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.795 22.469 17.614 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.001 22.952 19.286 1.00 0.00 H new ATOM 0 HG LEU A 56 17.907 24.548 17.751 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.118 24.876 18.733 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.861 24.490 19.932 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.030 23.244 19.436 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.908 24.136 16.411 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.791 22.403 16.799 1.00 0.00 H new ATOM 0 HD23 LEU A 56 18.493 23.198 15.877 1.00 0.00 H new ATOM 904 N SER A 57 16.106 19.680 18.539 1.00 0.00 N ATOM 905 CA SER A 57 14.899 18.944 18.865 1.00 0.00 C ATOM 906 C SER A 57 15.223 17.601 19.506 1.00 0.00 C ATOM 907 O SER A 57 14.560 17.240 20.467 1.00 0.00 O ATOM 908 CB SER A 57 14.148 18.615 17.569 1.00 0.00 C ATOM 909 OG SER A 57 13.639 19.750 16.900 1.00 0.00 O ATOM 0 H SER A 57 16.266 19.697 17.532 1.00 0.00 H new ATOM 0 HA SER A 57 14.316 19.563 19.547 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.819 18.080 16.897 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.323 17.941 17.799 1.00 0.00 H new ATOM 0 HG SER A 57 14.383 20.305 16.586 1.00 0.00 H new ATOM 915 N ASP A 58 16.335 17.007 19.069 1.00 0.00 N ATOM 916 CA ASP A 58 16.809 15.717 19.513 1.00 0.00 C ATOM 917 C ASP A 58 17.241 15.757 20.988 1.00 0.00 C ATOM 918 O ASP A 58 16.877 14.962 21.842 1.00 0.00 O ATOM 919 CB ASP A 58 18.057 15.284 18.739 1.00 0.00 C ATOM 920 CG ASP A 58 17.774 14.961 17.284 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.231 13.853 17.085 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.074 15.813 16.415 1.00 0.00 O ATOM 0 H ASP A 58 16.944 17.435 18.372 1.00 0.00 H new ATOM 0 HA ASP A 58 15.979 15.029 19.355 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.802 16.078 18.790 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.491 14.408 19.222 1.00 0.00 H new ATOM 927 N TYR A 59 17.880 16.850 21.407 1.00 0.00 N ATOM 928 CA TYR A 59 18.245 16.986 22.797 1.00 0.00 C ATOM 929 C TYR A 59 17.222 17.679 23.694 1.00 0.00 C ATOM 930 O TYR A 59 17.533 17.820 24.878 1.00 0.00 O ATOM 931 CB TYR A 59 19.586 17.688 23.004 1.00 0.00 C ATOM 932 CG TYR A 59 20.772 16.895 22.502 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.422 15.970 23.327 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.174 17.065 21.175 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.502 15.234 22.826 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.330 16.420 20.722 1.00 0.00 C ATOM 937 CZ TYR A 59 22.904 15.405 21.498 1.00 0.00 C ATOM 938 OH TYR A 59 23.885 14.613 20.978 1.00 0.00 O ATOM 0 H TYR A 59 18.146 17.633 20.810 1.00 0.00 H new ATOM 0 HA TYR A 59 18.302 15.941 23.103 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.564 18.652 22.496 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.719 17.891 24.067 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.092 15.825 24.345 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.599 17.688 20.506 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.024 14.536 23.464 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.777 16.703 19.780 1.00 0.00 H new ATOM 0 HH TYR A 59 23.480 13.897 20.446 1.00 0.00 H new ATOM 948 N ASN A 60 16.076 18.099 23.172 1.00 0.00 N ATOM 949 CA ASN A 60 14.974 18.801 23.781 1.00 0.00 C ATOM 950 C ASN A 60 15.362 20.254 24.089 1.00 0.00 C ATOM 951 O ASN A 60 15.180 20.709 25.211 1.00 0.00 O ATOM 952 CB ASN A 60 14.284 18.118 24.968 1.00 0.00 C ATOM 953 CG ASN A 60 13.762 16.696 24.798 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.448 15.711 25.063 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.515 16.609 24.333 1.00 0.00 N ATOM 0 H ASN A 60 15.883 17.928 22.185 1.00 0.00 H new ATOM 0 HA ASN A 60 14.193 18.782 23.021 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.988 18.113 25.800 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.443 18.744 25.265 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.090 15.694 24.182 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.987 17.457 24.128 1.00 0.00 H new ATOM 962 N ILE A 61 15.860 21.007 23.116 1.00 0.00 N ATOM 963 CA ILE A 61 16.335 22.338 23.472 1.00 0.00 C ATOM 964 C ILE A 61 15.225 23.281 22.988 1.00 0.00 C ATOM 965 O ILE A 61 14.493 23.043 22.036 1.00 0.00 O ATOM 966 CB ILE A 61 17.607 22.744 22.727 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.748 21.776 23.053 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.034 24.186 22.979 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.167 22.076 22.562 1.00 0.00 C ATOM 0 H ILE A 61 15.944 20.743 22.134 1.00 0.00 H new ATOM 0 HA ILE A 61 16.556 22.372 24.539 1.00 0.00 H new ATOM 0 HB ILE A 61 17.370 22.685 21.665 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.793 21.681 24.138 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.468 20.799 22.659 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.943 24.400 22.417 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.241 24.862 22.657 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.223 24.329 24.043 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.840 21.282 22.887 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.171 22.132 21.473 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.502 23.027 22.976 1.00 0.00 H new ATOM 981 N GLN A 62 15.012 24.269 23.850 1.00 0.00 N ATOM 982 CA GLN A 62 13.960 25.264 23.944 1.00 0.00 C ATOM 983 C GLN A 62 14.358 26.690 23.550 1.00 0.00 C ATOM 984 O GLN A 62 15.519 27.011 23.779 1.00 0.00 O ATOM 985 CB GLN A 62 13.397 25.128 25.358 1.00 0.00 C ATOM 986 CG GLN A 62 13.022 23.740 25.865 1.00 0.00 C ATOM 987 CD GLN A 62 11.737 23.221 25.242 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.494 23.363 24.046 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.828 22.592 25.988 1.00 0.00 N ATOM 0 H GLN A 62 15.678 24.405 24.611 1.00 0.00 H new ATOM 0 HA GLN A 62 13.194 25.070 23.194 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.131 25.545 26.048 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.508 25.755 25.422 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.834 23.046 25.648 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.910 23.770 26.949 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.993 22.455 26.985 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.968 22.248 25.561 1.00 0.00 H new ATOM 998 N LYS A 63 13.451 27.495 23.013 1.00 0.00 N ATOM 999 CA LYS A 63 13.587 28.935 22.947 1.00 0.00 C ATOM 1000 C LYS A 63 13.868 29.565 24.313 1.00 0.00 C ATOM 1001 O LYS A 63 13.198 29.264 25.294 1.00 0.00 O ATOM 1002 CB LYS A 63 12.371 29.604 22.310 1.00 0.00 C ATOM 1003 CG LYS A 63 10.996 29.160 22.815 1.00 0.00 C ATOM 1004 CD LYS A 63 10.329 30.094 23.817 1.00 0.00 C ATOM 1005 CE LYS A 63 9.803 31.379 23.167 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.143 32.242 24.159 1.00 0.00 N ATOM 0 H LYS A 63 12.582 27.152 22.603 1.00 0.00 H new ATOM 0 HA LYS A 63 14.453 29.112 22.309 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.457 30.680 22.461 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.411 29.429 21.235 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.334 29.044 21.957 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.098 28.177 23.274 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.503 29.572 24.301 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.044 30.353 24.598 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.628 31.919 22.702 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.099 31.127 22.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.796 33.105 23.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.342 31.733 24.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.823 32.500 24.902 1.00 0.00 H new ATOM 1020 N GLU A 64 14.913 30.390 24.385 1.00 0.00 N ATOM 1021 CA GLU A 64 15.348 31.207 25.495 1.00 0.00 C ATOM 1022 C GLU A 64 16.271 30.401 26.416 1.00 0.00 C ATOM 1023 O GLU A 64 16.378 30.699 27.613 1.00 0.00 O ATOM 1024 CB GLU A 64 14.179 31.965 26.119 1.00 0.00 C ATOM 1025 CG GLU A 64 14.522 33.098 27.073 1.00 0.00 C ATOM 1026 CD GLU A 64 13.278 33.846 27.539 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.603 34.612 26.832 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.992 33.712 28.747 1.00 0.00 O ATOM 0 H GLU A 64 15.531 30.507 23.582 1.00 0.00 H new ATOM 0 HA GLU A 64 15.987 32.025 25.163 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.571 32.374 25.312 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.557 31.248 26.655 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.050 32.697 27.938 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.201 33.794 26.580 1.00 0.00 H new ATOM 1035 N SER A 65 16.883 29.337 25.900 1.00 0.00 N ATOM 1036 CA SER A 65 17.857 28.498 26.573 1.00 0.00 C ATOM 1037 C SER A 65 19.219 29.154 26.783 1.00 0.00 C ATOM 1038 O SER A 65 19.683 29.880 25.917 1.00 0.00 O ATOM 1039 CB SER A 65 18.046 27.186 25.806 1.00 0.00 C ATOM 1040 OG SER A 65 16.985 26.278 26.004 1.00 0.00 O ATOM 0 H SER A 65 16.698 29.025 24.947 1.00 0.00 H new ATOM 0 HA SER A 65 17.444 28.316 27.565 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.138 27.403 24.742 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.980 26.719 26.118 1.00 0.00 H new ATOM 0 HG SER A 65 16.325 26.384 25.287 1.00 0.00 H new ATOM 1046 N THR A 66 19.800 28.865 27.947 1.00 0.00 N ATOM 1047 CA THR A 66 21.199 29.120 28.237 1.00 0.00 C ATOM 1048 C THR A 66 21.891 27.761 28.067 1.00 0.00 C ATOM 1049 O THR A 66 21.392 26.838 28.697 1.00 0.00 O ATOM 1050 CB THR A 66 21.256 29.472 29.721 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.462 30.621 29.860 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.588 30.062 30.198 1.00 0.00 C ATOM 0 H THR A 66 19.297 28.439 28.725 1.00 0.00 H new ATOM 0 HA THR A 66 21.645 29.898 27.617 1.00 0.00 H new ATOM 0 HB THR A 66 21.005 28.554 30.252 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.454 30.902 30.799 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.529 30.279 31.265 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.389 29.345 30.017 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.795 30.982 29.652 1.00 0.00 H new ATOM 1060 N LEU A 67 22.938 27.660 27.268 1.00 0.00 N ATOM 1061 CA LEU A 67 23.796 26.524 26.964 1.00 0.00 C ATOM 1062 C LEU A 67 25.188 27.077 26.663 1.00 0.00 C ATOM 1063 O LEU A 67 25.357 28.290 26.719 1.00 0.00 O ATOM 1064 CB LEU A 67 23.107 25.678 25.890 1.00 0.00 C ATOM 1065 CG LEU A 67 22.637 26.258 24.557 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.699 26.972 23.726 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.788 25.436 23.580 1.00 0.00 C ATOM 0 H LEU A 67 23.248 28.481 26.748 1.00 0.00 H new ATOM 0 HA LEU A 67 23.949 25.823 27.784 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.790 24.863 25.651 1.00 0.00 H new ATOM 0 HB3 LEU A 67 22.231 25.232 26.361 1.00 0.00 H new ATOM 0 HG LEU A 67 21.942 26.949 25.034 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.251 27.342 22.803 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.103 27.810 24.294 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.502 26.275 23.486 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.565 26.036 22.698 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.338 24.544 23.282 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.857 25.143 24.065 1.00 0.00 H new ATOM 1079 N HIS A 68 26.151 26.184 26.492 1.00 0.00 N ATOM 1080 CA HIS A 68 27.584 26.383 26.663 1.00 0.00 C ATOM 1081 C HIS A 68 28.401 25.945 25.438 1.00 0.00 C ATOM 1082 O HIS A 68 28.228 24.808 25.001 1.00 0.00 O ATOM 1083 CB HIS A 68 28.111 25.827 27.982 1.00 0.00 C ATOM 1084 CG HIS A 68 27.400 26.240 29.246 1.00 0.00 C ATOM 1085 ND1 HIS A 68 26.083 25.805 29.425 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.733 27.083 30.277 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.723 26.239 30.631 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.689 27.000 31.166 1.00 0.00 N ATOM 0 H HIS A 68 25.935 25.228 26.208 1.00 0.00 H new ATOM 0 HA HIS A 68 27.730 27.461 26.732 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.086 24.739 27.922 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.158 26.117 28.075 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.626 27.684 30.370 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.783 26.010 31.112 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.654 27.445 32.083 1.00 0.00 H new ATOM 1096 N LEU A 69 29.351 26.761 24.999 1.00 0.00 N ATOM 1097 CA LEU A 69 30.325 26.506 23.950 1.00 0.00 C ATOM 1098 C LEU A 69 31.690 26.326 24.615 1.00 0.00 C ATOM 1099 O LEU A 69 32.132 27.018 25.524 1.00 0.00 O ATOM 1100 CB LEU A 69 30.393 27.650 22.932 1.00 0.00 C ATOM 1101 CG LEU A 69 31.214 27.336 21.678 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.532 27.753 20.385 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.685 27.757 21.654 1.00 0.00 C ATOM 0 H LEU A 69 29.468 27.691 25.400 1.00 0.00 H new ATOM 0 HA LEU A 69 30.028 25.612 23.402 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.379 27.912 22.631 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.818 28.528 23.419 1.00 0.00 H new ATOM 0 HG LEU A 69 31.248 26.249 21.746 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.171 27.500 19.539 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.580 27.230 20.290 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.355 28.828 20.397 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.131 27.467 20.703 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.756 28.838 21.773 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.217 27.266 22.469 1.00 0.00 H new ATOM 1115 N VAL A 70 32.434 25.355 24.102 1.00 0.00 N ATOM 1116 CA VAL A 70 33.749 24.882 24.498 1.00 0.00 C ATOM 1117 C VAL A 70 34.594 24.819 23.228 1.00 0.00 C ATOM 1118 O VAL A 70 34.206 24.404 22.135 1.00 0.00 O ATOM 1119 CB VAL A 70 33.585 23.557 25.235 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.867 23.069 25.919 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.514 23.470 26.322 1.00 0.00 C ATOM 0 H VAL A 70 32.087 24.820 23.306 1.00 0.00 H new ATOM 0 HA VAL A 70 34.266 25.540 25.197 1.00 0.00 H new ATOM 0 HB VAL A 70 33.280 22.939 24.391 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.673 22.122 26.422 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.648 22.929 25.171 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.193 23.808 26.650 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.516 22.470 26.755 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.725 24.203 27.100 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.536 23.675 25.886 1.00 0.00 H new ATOM 1131 N LEU A 71 35.815 25.327 23.333 1.00 0.00 N ATOM 1132 CA LEU A 71 36.854 25.253 22.342 1.00 0.00 C ATOM 1133 C LEU A 71 37.673 24.056 22.838 1.00 0.00 C ATOM 1134 O LEU A 71 38.043 23.954 24.005 1.00 0.00 O ATOM 1135 CB LEU A 71 37.760 26.487 22.415 1.00 0.00 C ATOM 1136 CG LEU A 71 37.150 27.859 22.110 1.00 0.00 C ATOM 1137 CD1 LEU A 71 36.193 28.549 23.083 1.00 0.00 C ATOM 1138 CD2 LEU A 71 38.203 28.907 21.752 1.00 0.00 C ATOM 0 H LEU A 71 36.114 25.831 24.168 1.00 0.00 H new ATOM 0 HA LEU A 71 36.468 25.180 21.325 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.184 26.528 23.418 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.589 26.331 21.724 1.00 0.00 H new ATOM 0 HG LEU A 71 36.518 27.528 21.286 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.882 29.508 22.669 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.316 27.920 23.239 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.697 28.711 24.036 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.714 29.859 21.546 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.894 29.028 22.586 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.753 28.583 20.869 1.00 0.00 H new ATOM 1150 N ARG A 72 38.058 23.129 21.961 1.00 0.00 N ATOM 1151 CA ARG A 72 38.740 21.887 22.264 1.00 0.00 C ATOM 1152 C ARG A 72 40.251 22.069 22.091 1.00 0.00 C ATOM 1153 O ARG A 72 40.875 21.937 21.042 1.00 0.00 O ATOM 1154 CB ARG A 72 38.172 20.753 21.400 1.00 0.00 C ATOM 1155 CG ARG A 72 38.742 19.349 21.550 1.00 0.00 C ATOM 1156 CD ARG A 72 38.072 18.385 20.567 1.00 0.00 C ATOM 1157 NE ARG A 72 38.675 17.057 20.500 1.00 0.00 N ATOM 1158 CZ ARG A 72 38.418 16.182 19.516 1.00 0.00 C ATOM 1159 NH1 ARG A 72 37.357 16.392 18.728 1.00 0.00 N ATOM 1160 NH2 ARG A 72 39.244 15.152 19.281 1.00 0.00 N ATOM 0 H ARG A 72 37.888 23.239 20.961 1.00 0.00 H new ATOM 0 HA ARG A 72 38.569 21.609 23.304 1.00 0.00 H new ATOM 0 HB2 ARG A 72 37.101 20.695 21.596 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.289 21.045 20.356 1.00 0.00 H new ATOM 0 HG2 ARG A 72 39.817 19.367 21.373 1.00 0.00 H new ATOM 0 HG3 ARG A 72 38.592 18.998 22.571 1.00 0.00 H new ATOM 0 HD2 ARG A 72 37.023 18.278 20.844 1.00 0.00 H new ATOM 0 HD3 ARG A 72 38.096 18.829 19.572 1.00 0.00 H new ATOM 0 HE ARG A 72 39.323 16.781 21.237 1.00 0.00 H new ATOM 0 HH11 ARG A 72 36.761 17.205 18.881 1.00 0.00 H new ATOM 0 HH12 ARG A 72 37.144 15.739 17.974 1.00 0.00 H new ATOM 0 HH21 ARG A 72 40.079 15.027 19.853 1.00 0.00 H new ATOM 0 HH22 ARG A 72 39.037 14.494 18.530 1.00 0.00 H new ATOM 1174 N LEU A 73 40.765 22.648 23.177 1.00 0.00 N ATOM 1175 CA LEU A 73 42.191 22.692 23.386 1.00 0.00 C ATOM 1176 C LEU A 73 42.743 21.476 24.139 1.00 0.00 C ATOM 1177 O LEU A 73 43.956 21.291 24.107 1.00 0.00 O ATOM 1178 CB LEU A 73 42.547 23.969 24.162 1.00 0.00 C ATOM 1179 CG LEU A 73 41.896 25.322 23.904 1.00 0.00 C ATOM 1180 CD1 LEU A 73 42.356 26.380 24.898 1.00 0.00 C ATOM 1181 CD2 LEU A 73 42.017 25.691 22.422 1.00 0.00 C ATOM 0 H LEU A 73 40.211 23.086 23.913 1.00 0.00 H new ATOM 0 HA LEU A 73 42.652 22.683 22.398 1.00 0.00 H new ATOM 0 HB2 LEU A 73 42.379 23.744 25.215 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.620 24.116 24.035 1.00 0.00 H new ATOM 0 HG LEU A 73 40.825 25.259 24.096 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.865 27.327 24.674 1.00 0.00 H new ATOM 0 HD12 LEU A 73 42.096 26.067 25.909 1.00 0.00 H new ATOM 0 HD13 LEU A 73 43.436 26.504 24.823 1.00 0.00 H new ATOM 0 HD21 LEU A 73 41.548 26.660 22.249 1.00 0.00 H new ATOM 0 HD22 LEU A 73 43.070 25.742 22.145 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.519 24.934 21.817 1.00 0.00 H new ATOM 1193 N ARG A 74 41.934 20.759 24.913 1.00 0.00 N ATOM 1194 CA ARG A 74 42.223 19.458 25.491 1.00 0.00 C ATOM 1195 C ARG A 74 41.079 18.444 25.409 1.00 0.00 C ATOM 1196 O ARG A 74 39.956 18.852 25.110 1.00 0.00 O ATOM 1197 CB ARG A 74 42.751 19.633 26.916 1.00 0.00 C ATOM 1198 CG ARG A 74 41.720 20.090 27.951 1.00 0.00 C ATOM 1199 CD ARG A 74 42.271 20.353 29.348 1.00 0.00 C ATOM 1200 NE ARG A 74 41.342 20.136 30.457 1.00 0.00 N ATOM 1201 CZ ARG A 74 40.667 21.044 31.177 1.00 0.00 C ATOM 1202 NH1 ARG A 74 40.851 22.372 31.105 1.00 0.00 N ATOM 1203 NH2 ARG A 74 39.891 20.470 32.116 1.00 0.00 N ATOM 0 H ARG A 74 41.004 21.094 25.166 1.00 0.00 H new ATOM 0 HA ARG A 74 42.999 19.009 24.871 1.00 0.00 H new ATOM 0 HB2 ARG A 74 43.175 18.685 27.246 1.00 0.00 H new ATOM 0 HB3 ARG A 74 43.565 20.357 26.896 1.00 0.00 H new ATOM 0 HG2 ARG A 74 41.245 21.002 27.588 1.00 0.00 H new ATOM 0 HG3 ARG A 74 40.941 19.331 28.023 1.00 0.00 H new ATOM 0 HD2 ARG A 74 43.141 19.715 29.499 1.00 0.00 H new ATOM 0 HD3 ARG A 74 42.621 21.384 29.390 1.00 0.00 H new ATOM 0 HE ARG A 74 41.187 19.162 30.718 1.00 0.00 H new ATOM 0 HH11 ARG A 74 41.547 22.757 30.466 1.00 0.00 H new ATOM 0 HH12 ARG A 74 40.294 22.996 31.689 1.00 0.00 H new ATOM 0 HH21 ARG A 74 39.870 19.455 32.210 1.00 0.00 H new ATOM 0 HH22 ARG A 74 39.324 21.051 32.734 1.00 0.00 H new ATOM 1217 N GLY A 75 41.463 17.203 25.694 1.00 0.00 N ATOM 1218 CA GLY A 75 40.568 16.099 25.945 1.00 0.00 C ATOM 1219 C GLY A 75 40.825 15.521 27.339 1.00 0.00 C ATOM 1220 O GLY A 75 41.840 15.934 27.907 1.00 0.00 O ATOM 0 H GLY A 75 42.446 16.938 25.757 1.00 0.00 H new ATOM 0 HA2 GLY A 75 39.534 16.434 25.867 1.00 0.00 H new ATOM 0 HA3 GLY A 75 40.711 15.326 25.190 1.00 0.00 H new ATOM 1224 N GLY A 76 39.957 14.642 27.836 1.00 0.00 N ATOM 1225 CA GLY A 76 40.346 13.866 28.989 1.00 0.00 C ATOM 1226 C GLY A 76 40.288 12.349 28.851 1.00 0.00 C ATOM 1227 O GLY A 76 39.881 11.981 27.726 1.00 0.00 O ATOM 1228 OXT GLY A 76 40.664 11.619 29.792 1.00 0.00 O ATOM 0 H GLY A 76 39.022 14.460 27.471 1.00 0.00 H new ATOM 0 HA2 GLY A 76 41.366 14.144 29.256 1.00 0.00 H new ATOM 0 HA3 GLY A 76 39.708 14.155 29.824 1.00 0.00 H new TER 1232 GLY A 76