USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 529 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 55 THR OG1 : rot 111:sc= 1 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.859 USER MOD Set 2.1: A 34 THR OG1 : rot -72:sc= -1.15! USER MOD Set 2.2: A 41 GLN :FLIP amide:sc= -2.71! C(o=-6!,f=-3.9!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0613 (180deg=-0.0771) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.728 (180deg=-1.41) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -0.0588 (180deg=-0.591) USER MOD Single : A 12 THR OG1 : rot -24:sc= 0.0901 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 44:sc= 0.197 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.57! C(o=-2.6!,f=-7.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0497 K(o=-0.05,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.247) USER MOD Single : A 40 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.13) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0356 K(o=-0.036,f=-1.9!) USER MOD Single : A 59 TYR OH : rot 0:sc= -0.915 USER MOD Single : A 60 ASN : amide:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -99:sc= 1.55 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.84 F(o=-3!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.387 23.618 2.344 1.00 0.00 N ATOM 2 CA MET A 1 25.508 24.744 2.766 1.00 0.00 C ATOM 3 C MET A 1 26.320 25.734 3.598 1.00 0.00 C ATOM 4 O MET A 1 27.054 25.340 4.505 1.00 0.00 O ATOM 5 CB MET A 1 24.333 24.195 3.586 1.00 0.00 C ATOM 6 CG MET A 1 24.830 23.713 4.952 1.00 0.00 C ATOM 7 SD MET A 1 23.536 22.733 5.752 1.00 0.00 S ATOM 8 CE MET A 1 24.248 22.735 7.416 1.00 0.00 C ATOM 0 H1 MET A 1 26.275 23.454 1.323 1.00 0.00 H new ATOM 0 H2 MET A 1 27.378 23.855 2.550 1.00 0.00 H new ATOM 0 H3 MET A 1 26.122 22.757 2.864 1.00 0.00 H new ATOM 0 HA MET A 1 25.115 25.257 1.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.577 24.969 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.858 23.372 3.051 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.733 23.114 4.832 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.094 24.566 5.577 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.798 21.936 8.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.324 22.576 7.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.051 23.694 7.895 1.00 0.00 H new ATOM 18 N GLN A 2 26.185 27.019 3.283 1.00 0.00 N ATOM 19 CA GLN A 2 26.910 28.061 4.008 1.00 0.00 C ATOM 20 C GLN A 2 26.058 28.612 5.146 1.00 0.00 C ATOM 21 O GLN A 2 24.875 28.291 5.255 1.00 0.00 O ATOM 22 CB GLN A 2 27.273 29.200 3.053 1.00 0.00 C ATOM 23 CG GLN A 2 28.259 28.694 1.998 1.00 0.00 C ATOM 24 CD GLN A 2 28.655 29.837 1.069 1.00 0.00 C ATOM 25 OE1 GLN A 2 27.993 30.874 1.043 1.00 0.00 O ATOM 26 NE2 GLN A 2 29.700 29.709 0.299 1.00 0.00 N ATOM 0 H GLN A 2 25.584 27.364 2.535 1.00 0.00 H new ATOM 0 HA GLN A 2 27.818 27.624 4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.374 29.583 2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.714 30.027 3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 2 29.145 28.284 2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.807 27.886 1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 2 30.248 28.849 0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 2 29.969 30.469 -0.326 1.00 0.00 H new ATOM 35 N ILE A 3 26.663 29.451 5.986 1.00 0.00 N ATOM 36 CA ILE A 3 25.944 30.052 7.109 1.00 0.00 C ATOM 37 C ILE A 3 26.498 31.436 7.425 1.00 0.00 C ATOM 38 O ILE A 3 27.698 31.681 7.305 1.00 0.00 O ATOM 39 CB ILE A 3 26.053 29.165 8.355 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.528 28.857 8.652 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.294 27.854 8.128 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.656 28.263 10.060 1.00 0.00 C ATOM 0 H ILE A 3 27.642 29.729 5.912 1.00 0.00 H new ATOM 0 HA ILE A 3 24.896 30.144 6.824 1.00 0.00 H new ATOM 0 HB ILE A 3 25.618 29.693 9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.920 28.157 7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.123 29.767 8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.375 27.228 9.017 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.244 28.071 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.722 27.329 7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.703 28.045 10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.281 28.978 10.792 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.075 27.343 10.121 1.00 0.00 H new ATOM 54 N PHE A 4 25.611 32.335 7.843 1.00 0.00 N ATOM 55 CA PHE A 4 26.005 33.697 8.197 1.00 0.00 C ATOM 56 C PHE A 4 26.147 33.806 9.711 1.00 0.00 C ATOM 57 O PHE A 4 25.256 33.408 10.456 1.00 0.00 O ATOM 58 CB PHE A 4 24.956 34.695 7.688 1.00 0.00 C ATOM 59 CG PHE A 4 24.448 34.287 6.316 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.288 33.641 5.391 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.122 34.572 5.963 1.00 0.00 C ATOM 62 CE1 PHE A 4 24.801 33.288 4.128 1.00 0.00 C ATOM 63 CE2 PHE A 4 22.639 34.216 4.700 1.00 0.00 C ATOM 64 CZ PHE A 4 23.477 33.575 3.782 1.00 0.00 C ATOM 0 H PHE A 4 24.614 32.145 7.945 1.00 0.00 H new ATOM 0 HA PHE A 4 26.962 33.931 7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.123 34.744 8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.391 35.693 7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.311 33.417 5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.472 35.068 6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.449 32.793 3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.616 34.437 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.102 33.302 2.807 1.00 0.00 H new ATOM 74 N VAL A 5 27.287 34.329 10.158 1.00 0.00 N ATOM 75 CA VAL A 5 27.561 34.466 11.591 1.00 0.00 C ATOM 76 C VAL A 5 27.575 35.933 12.015 1.00 0.00 C ATOM 77 O VAL A 5 28.199 36.771 11.366 1.00 0.00 O ATOM 78 CB VAL A 5 28.920 33.842 11.899 1.00 0.00 C ATOM 79 CG1 VAL A 5 28.921 32.378 11.448 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.013 34.607 11.151 1.00 0.00 C ATOM 0 H VAL A 5 28.036 34.665 9.552 1.00 0.00 H new ATOM 0 HA VAL A 5 26.771 33.958 12.144 1.00 0.00 H new ATOM 0 HB VAL A 5 29.110 33.893 12.971 1.00 0.00 H new ATOM 0 HG11 VAL A 5 29.890 31.930 11.667 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.141 31.833 11.980 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.732 32.327 10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.984 34.162 11.370 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.824 34.556 10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.011 35.649 11.470 1.00 0.00 H new ATOM 90 N LYS A 6 26.891 36.230 13.117 1.00 0.00 N ATOM 91 CA LYS A 6 26.834 37.596 13.636 1.00 0.00 C ATOM 92 C LYS A 6 28.036 37.861 14.542 1.00 0.00 C ATOM 93 O LYS A 6 28.405 37.014 15.356 1.00 0.00 O ATOM 94 CB LYS A 6 25.540 37.794 14.431 1.00 0.00 C ATOM 95 CG LYS A 6 25.374 39.273 14.793 1.00 0.00 C ATOM 96 CD LYS A 6 24.138 39.442 15.683 1.00 0.00 C ATOM 97 CE LYS A 6 23.991 40.911 16.088 1.00 0.00 C ATOM 98 NZ LYS A 6 23.823 41.749 14.868 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.370 35.547 13.667 1.00 0.00 H new ATOM 0 HA LYS A 6 26.856 38.294 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.686 37.456 13.844 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.563 37.189 15.337 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.262 39.634 15.312 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.269 39.871 13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.246 39.111 15.151 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.229 38.817 16.571 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.131 41.033 16.747 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.869 41.235 16.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.394 42.660 15.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.752 41.916 14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.205 41.257 14.191 1.00 0.00 H new ATOM 181 N THR A 12 28.417 40.235 8.653 1.00 0.00 N ATOM 182 CA THR A 12 28.389 38.784 8.790 1.00 0.00 C ATOM 183 C THR A 12 29.542 38.146 8.024 1.00 0.00 C ATOM 184 O THR A 12 30.143 38.774 7.152 1.00 0.00 O ATOM 185 CB THR A 12 27.061 38.237 8.263 1.00 0.00 C ATOM 186 OG1 THR A 12 26.915 38.590 6.895 1.00 0.00 O ATOM 187 CG2 THR A 12 25.906 38.828 9.073 1.00 0.00 C ATOM 0 HA THR A 12 28.493 38.538 9.847 1.00 0.00 H new ATOM 0 HB THR A 12 27.050 37.151 8.360 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.456 39.384 6.702 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.960 38.438 8.697 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.020 38.554 10.122 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.914 39.914 8.978 1.00 0.00 H new ATOM 195 N THR A 13 29.847 36.892 8.359 1.00 0.00 N ATOM 196 CA THR A 13 30.934 36.159 7.704 1.00 0.00 C ATOM 197 C THR A 13 30.420 34.804 7.202 1.00 0.00 C ATOM 198 O THR A 13 30.100 33.919 7.995 1.00 0.00 O ATOM 199 CB THR A 13 32.098 35.986 8.706 1.00 0.00 C ATOM 200 OG1 THR A 13 32.953 37.115 8.622 1.00 0.00 O ATOM 201 CG2 THR A 13 32.912 34.721 8.407 1.00 0.00 C ATOM 0 H THR A 13 29.358 36.362 9.080 1.00 0.00 H new ATOM 0 HA THR A 13 31.298 36.716 6.841 1.00 0.00 H new ATOM 0 HB THR A 13 31.676 35.894 9.707 1.00 0.00 H new ATOM 0 HG1 THR A 13 33.693 37.013 9.256 1.00 0.00 H new ATOM 0 HG21 THR A 13 33.722 34.630 9.130 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.264 33.847 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.329 34.786 7.402 1.00 0.00 H new ATOM 209 N THR A 14 30.346 34.656 5.881 1.00 0.00 N ATOM 210 CA THR A 14 29.870 33.413 5.283 1.00 0.00 C ATOM 211 C THR A 14 30.893 32.297 5.481 1.00 0.00 C ATOM 212 O THR A 14 32.038 32.405 5.044 1.00 0.00 O ATOM 213 CB THR A 14 29.614 33.624 3.788 1.00 0.00 C ATOM 214 OG1 THR A 14 30.741 34.264 3.202 1.00 0.00 O ATOM 215 CG2 THR A 14 28.371 34.498 3.593 1.00 0.00 C ATOM 0 H THR A 14 30.608 35.377 5.209 1.00 0.00 H new ATOM 0 HA THR A 14 28.940 33.123 5.773 1.00 0.00 H new ATOM 0 HB THR A 14 29.452 32.658 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 14 31.563 33.852 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.193 34.645 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.507 34.007 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.527 35.465 4.072 1.00 0.00 H new ATOM 223 N LEU A 15 30.466 31.225 6.151 1.00 0.00 N ATOM 224 CA LEU A 15 31.340 30.078 6.425 1.00 0.00 C ATOM 225 C LEU A 15 30.837 28.832 5.700 1.00 0.00 C ATOM 226 O LEU A 15 29.634 28.649 5.517 1.00 0.00 O ATOM 227 CB LEU A 15 31.372 29.821 7.946 1.00 0.00 C ATOM 228 CG LEU A 15 32.461 30.688 8.617 1.00 0.00 C ATOM 229 CD1 LEU A 15 32.076 30.986 10.069 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.799 29.941 8.601 1.00 0.00 C ATOM 0 H LEU A 15 29.519 31.125 6.515 1.00 0.00 H new ATOM 0 HA LEU A 15 32.344 30.302 6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.398 30.049 8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.568 28.766 8.139 1.00 0.00 H new ATOM 0 HG LEU A 15 32.552 31.624 8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.850 31.597 10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.128 31.523 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 15 31.976 30.050 10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.564 30.555 9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.698 29.002 9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.087 29.733 7.571 1.00 0.00 H new ATOM 242 N GLU A 16 31.772 27.966 5.309 1.00 0.00 N ATOM 243 CA GLU A 16 31.426 26.722 4.624 1.00 0.00 C ATOM 244 C GLU A 16 31.300 25.589 5.637 1.00 0.00 C ATOM 245 O GLU A 16 32.252 25.279 6.353 1.00 0.00 O ATOM 246 CB GLU A 16 32.506 26.369 3.596 1.00 0.00 C ATOM 247 CG GLU A 16 32.416 27.327 2.408 1.00 0.00 C ATOM 248 CD GLU A 16 33.492 26.984 1.381 1.00 0.00 C ATOM 249 OE1 GLU A 16 34.197 26.011 1.596 1.00 0.00 O ATOM 250 OE2 GLU A 16 33.595 27.697 0.398 1.00 0.00 O1- ATOM 0 H GLU A 16 32.772 28.103 5.455 1.00 0.00 H new ATOM 0 HA GLU A 16 30.473 26.858 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.493 26.433 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.378 25.341 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.429 27.260 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.540 28.355 2.748 1.00 0.00 H new ATOM 257 N VAL A 17 30.119 24.977 5.698 1.00 0.00 N ATOM 258 CA VAL A 17 29.878 23.878 6.634 1.00 0.00 C ATOM 259 C VAL A 17 28.965 22.830 6.005 1.00 0.00 C ATOM 260 O VAL A 17 28.299 23.096 5.005 1.00 0.00 O ATOM 261 CB VAL A 17 29.238 24.419 7.915 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.092 25.562 8.468 1.00 0.00 C ATOM 263 CG2 VAL A 17 27.831 24.938 7.604 1.00 0.00 C ATOM 0 H VAL A 17 29.318 25.220 5.115 1.00 0.00 H new ATOM 0 HA VAL A 17 30.833 23.410 6.875 1.00 0.00 H new ATOM 0 HB VAL A 17 29.175 23.621 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.637 25.948 9.380 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.094 25.193 8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.155 26.360 7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.375 25.323 8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.893 25.736 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.222 24.124 7.210 1.00 0.00 H new ATOM 273 N GLU A 18 28.940 21.637 6.597 1.00 0.00 N ATOM 274 CA GLU A 18 28.106 20.545 6.089 1.00 0.00 C ATOM 275 C GLU A 18 27.533 19.734 7.258 1.00 0.00 C ATOM 276 O GLU A 18 28.140 19.680 8.328 1.00 0.00 O ATOM 277 CB GLU A 18 28.954 19.624 5.199 1.00 0.00 C ATOM 278 CG GLU A 18 29.158 20.272 3.827 1.00 0.00 C ATOM 279 CD GLU A 18 27.852 20.244 3.040 1.00 0.00 C ATOM 280 OE1 GLU A 18 27.285 19.172 2.910 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 27.438 21.295 2.579 1.00 0.00 O ATOM 0 H GLU A 18 29.485 21.401 7.426 1.00 0.00 H new ATOM 0 HA GLU A 18 27.285 20.965 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.919 19.436 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.461 18.658 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.498 21.301 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.936 19.742 3.277 1.00 0.00 H new ATOM 288 N PRO A 19 26.394 19.094 7.086 1.00 0.00 N ATOM 289 CA PRO A 19 25.779 18.271 8.167 1.00 0.00 C ATOM 290 C PRO A 19 26.818 17.426 8.908 1.00 0.00 C ATOM 291 O PRO A 19 26.753 17.271 10.128 1.00 0.00 O ATOM 292 CB PRO A 19 24.786 17.380 7.411 1.00 0.00 C ATOM 293 CG PRO A 19 24.372 18.183 6.218 1.00 0.00 C ATOM 294 CD PRO A 19 25.565 19.087 5.861 1.00 0.00 C ATOM 0 HA PRO A 19 25.312 18.883 8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.249 16.440 7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.928 17.129 8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.116 17.532 5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.487 18.779 6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.119 18.697 5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.238 20.092 5.596 1.00 0.00 H new ATOM 302 N SER A 20 27.769 16.881 8.156 1.00 0.00 N ATOM 303 CA SER A 20 28.816 16.047 8.740 1.00 0.00 C ATOM 304 C SER A 20 29.833 16.899 9.492 1.00 0.00 C ATOM 305 O SER A 20 30.431 16.449 10.469 1.00 0.00 O ATOM 306 CB SER A 20 29.527 15.262 7.640 1.00 0.00 C ATOM 307 OG SER A 20 30.120 16.173 6.724 1.00 0.00 O ATOM 0 H SER A 20 27.837 17.000 7.145 1.00 0.00 H new ATOM 0 HA SER A 20 28.350 15.357 9.443 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.290 14.615 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 20 28.818 14.616 7.122 1.00 0.00 H new ATOM 0 HG SER A 20 30.579 15.674 6.017 1.00 0.00 H new ATOM 313 N ASP A 21 30.031 18.126 9.026 1.00 0.00 N ATOM 314 CA ASP A 21 30.987 19.026 9.662 1.00 0.00 C ATOM 315 C ASP A 21 30.609 19.265 11.118 1.00 0.00 C ATOM 316 O ASP A 21 29.576 19.868 11.413 1.00 0.00 O ATOM 317 CB ASP A 21 31.027 20.361 8.917 1.00 0.00 C ATOM 318 CG ASP A 21 32.197 21.203 9.419 1.00 0.00 C ATOM 319 OD1 ASP A 21 33.327 20.781 9.234 1.00 0.00 O ATOM 320 OD2 ASP A 21 31.945 22.256 9.982 1.00 0.00 O1- ATOM 0 H ASP A 21 29.548 18.519 8.218 1.00 0.00 H new ATOM 0 HA ASP A 21 31.973 18.562 9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.127 20.186 7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.091 20.899 9.066 1.00 0.00 H new ATOM 325 N THR A 22 31.454 18.788 12.025 1.00 0.00 N ATOM 326 CA THR A 22 31.203 18.956 13.450 1.00 0.00 C ATOM 327 C THR A 22 31.519 20.385 13.873 1.00 0.00 C ATOM 328 O THR A 22 32.171 21.127 13.140 1.00 0.00 O ATOM 329 CB THR A 22 32.061 17.978 14.252 1.00 0.00 C ATOM 330 OG1 THR A 22 33.429 18.340 14.130 1.00 0.00 O ATOM 331 CG2 THR A 22 31.858 16.560 13.715 1.00 0.00 C ATOM 0 H THR A 22 32.313 18.285 11.801 1.00 0.00 H new ATOM 0 HA THR A 22 30.151 18.752 13.647 1.00 0.00 H new ATOM 0 HB THR A 22 31.767 18.013 15.301 1.00 0.00 H new ATOM 0 HG1 THR A 22 33.980 17.715 14.645 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.470 15.863 14.287 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.808 16.282 13.809 1.00 0.00 H new ATOM 0 HG23 THR A 22 32.151 16.523 12.666 1.00 0.00 H new ATOM 339 N ILE A 23 31.052 20.766 15.055 1.00 0.00 N ATOM 340 CA ILE A 23 31.289 22.112 15.561 1.00 0.00 C ATOM 341 C ILE A 23 32.784 22.370 15.711 1.00 0.00 C ATOM 342 O ILE A 23 33.273 23.453 15.388 1.00 0.00 O ATOM 343 CB ILE A 23 30.595 22.281 16.913 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.155 21.763 16.813 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.585 23.761 17.307 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.429 22.422 15.633 1.00 0.00 C ATOM 0 H ILE A 23 30.510 20.167 15.678 1.00 0.00 H new ATOM 0 HA ILE A 23 30.882 22.832 14.851 1.00 0.00 H new ATOM 0 HB ILE A 23 31.134 21.713 17.672 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.159 20.680 16.686 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.621 21.973 17.740 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.090 23.878 18.271 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.610 24.125 17.379 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.048 24.335 16.552 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.408 22.043 15.576 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.408 23.502 15.776 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.954 22.189 14.707 1.00 0.00 H new ATOM 358 N GLU A 24 33.506 21.368 16.201 1.00 0.00 N ATOM 359 CA GLU A 24 34.946 21.498 16.387 1.00 0.00 C ATOM 360 C GLU A 24 35.593 22.080 15.135 1.00 0.00 C ATOM 361 O GLU A 24 36.422 22.985 15.219 1.00 0.00 O ATOM 362 CB GLU A 24 35.560 20.131 16.688 1.00 0.00 C ATOM 363 CG GLU A 24 37.040 20.302 17.042 1.00 0.00 C ATOM 364 CD GLU A 24 37.658 18.947 17.367 1.00 0.00 C ATOM 365 OE1 GLU A 24 37.024 17.944 17.083 1.00 0.00 O ATOM 366 OE2 GLU A 24 38.757 18.932 17.895 1.00 0.00 O1- ATOM 0 H GLU A 24 33.121 20.464 16.475 1.00 0.00 H new ATOM 0 HA GLU A 24 35.127 22.170 17.226 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.030 19.657 17.514 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.455 19.475 15.824 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.571 20.763 16.209 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.143 20.972 17.895 1.00 0.00 H new ATOM 373 N ASN A 25 35.209 21.557 13.975 1.00 0.00 N ATOM 374 CA ASN A 25 35.761 22.037 12.715 1.00 0.00 C ATOM 375 C ASN A 25 35.389 23.501 12.497 1.00 0.00 C ATOM 376 O ASN A 25 36.221 24.308 12.083 1.00 0.00 O ATOM 377 CB ASN A 25 35.233 21.188 11.555 1.00 0.00 C ATOM 378 CG ASN A 25 35.850 21.654 10.240 1.00 0.00 C ATOM 379 OD1 ASN A 25 36.001 22.854 10.014 1.00 0.00 O ATOM 380 ND2 ASN A 25 36.219 20.769 9.354 1.00 0.00 N ATOM 0 H ASN A 25 34.524 20.807 13.882 1.00 0.00 H new ATOM 0 HA ASN A 25 36.847 21.952 12.755 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.471 20.138 11.725 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.147 21.265 11.503 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.633 21.072 8.473 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.093 19.775 9.543 1.00 0.00 H new ATOM 387 N VAL A 26 34.131 23.831 12.770 1.00 0.00 N ATOM 388 CA VAL A 26 33.657 25.200 12.592 1.00 0.00 C ATOM 389 C VAL A 26 34.521 26.172 13.393 1.00 0.00 C ATOM 390 O VAL A 26 34.963 27.195 12.871 1.00 0.00 O ATOM 391 CB VAL A 26 32.201 25.323 13.050 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.684 26.720 12.708 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.340 24.277 12.337 1.00 0.00 C ATOM 0 H VAL A 26 33.427 23.177 13.112 1.00 0.00 H new ATOM 0 HA VAL A 26 33.725 25.448 11.533 1.00 0.00 H new ATOM 0 HB VAL A 26 32.146 25.159 14.126 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.647 26.814 13.032 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.292 27.468 13.217 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.743 26.876 11.631 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.306 24.370 12.668 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.392 24.436 11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.708 23.279 12.575 1.00 0.00 H new ATOM 403 N LYS A 27 34.762 25.844 14.657 1.00 0.00 N ATOM 404 CA LYS A 27 35.582 26.698 15.511 1.00 0.00 C ATOM 405 C LYS A 27 36.979 26.840 14.920 1.00 0.00 C ATOM 406 O LYS A 27 37.598 27.900 15.013 1.00 0.00 O ATOM 407 CB LYS A 27 35.679 26.095 16.915 1.00 0.00 C ATOM 408 CG LYS A 27 34.354 26.291 17.654 1.00 0.00 C ATOM 409 CD LYS A 27 34.480 25.779 19.095 1.00 0.00 C ATOM 410 CE LYS A 27 34.572 24.248 19.111 1.00 0.00 C ATOM 411 NZ LYS A 27 34.237 23.748 20.473 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.406 25.002 15.110 1.00 0.00 H new ATOM 0 HA LYS A 27 35.117 27.682 15.573 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.916 25.033 16.849 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.489 26.569 17.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.081 27.346 17.656 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.557 25.757 17.137 1.00 0.00 H new ATOM 0 HD2 LYS A 27 35.365 26.208 19.564 1.00 0.00 H new ATOM 0 HD3 LYS A 27 33.620 26.104 19.680 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.887 23.824 18.377 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.576 23.930 18.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.299 22.710 20.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.907 24.144 21.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.271 24.041 20.722 1.00 0.00 H new ATOM 425 N ALA A 28 37.469 25.765 14.310 1.00 0.00 N ATOM 426 CA ALA A 28 38.795 25.783 13.703 1.00 0.00 C ATOM 427 C ALA A 28 38.831 26.766 12.537 1.00 0.00 C ATOM 428 O ALA A 28 39.777 27.543 12.396 1.00 0.00 O ATOM 429 CB ALA A 28 39.164 24.381 13.214 1.00 0.00 C ATOM 0 H ALA A 28 36.973 24.878 14.223 1.00 0.00 H new ATOM 0 HA ALA A 28 39.519 26.102 14.453 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.156 24.403 12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.165 23.690 14.057 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.435 24.050 12.474 1.00 0.00 H new ATOM 435 N LYS A 29 37.787 26.739 11.713 1.00 0.00 N ATOM 436 CA LYS A 29 37.707 27.645 10.573 1.00 0.00 C ATOM 437 C LYS A 29 37.643 29.085 11.064 1.00 0.00 C ATOM 438 O LYS A 29 38.298 29.974 10.518 1.00 0.00 O ATOM 439 CB LYS A 29 36.458 27.331 9.741 1.00 0.00 C ATOM 440 CG LYS A 29 36.563 25.920 9.142 1.00 0.00 C ATOM 441 CD LYS A 29 37.420 25.936 7.868 1.00 0.00 C ATOM 442 CE LYS A 29 37.346 24.564 7.195 1.00 0.00 C ATOM 443 NZ LYS A 29 38.369 24.486 6.116 1.00 0.00 N1+ ATOM 0 H LYS A 29 36.993 26.107 11.812 1.00 0.00 H new ATOM 0 HA LYS A 29 38.593 27.513 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.568 27.404 10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.349 28.066 8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.001 25.240 9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.567 25.542 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.065 26.709 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.454 26.179 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.516 23.777 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.351 24.404 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.320 23.554 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.187 25.229 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.316 24.621 6.525 1.00 0.00 H new ATOM 457 N ILE A 30 36.848 29.302 12.105 1.00 0.00 N ATOM 458 CA ILE A 30 36.694 30.630 12.682 1.00 0.00 C ATOM 459 C ILE A 30 38.023 31.121 13.251 1.00 0.00 C ATOM 460 O ILE A 30 38.426 32.258 13.014 1.00 0.00 O ATOM 461 CB ILE A 30 35.639 30.578 13.790 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.263 30.323 13.174 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.611 31.903 14.557 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.274 29.947 14.280 1.00 0.00 C ATOM 0 H ILE A 30 36.301 28.575 12.566 1.00 0.00 H new ATOM 0 HA ILE A 30 36.375 31.324 11.904 1.00 0.00 H new ATOM 0 HB ILE A 30 35.891 29.772 14.479 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.917 31.213 12.648 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.325 29.522 12.438 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.857 31.853 15.342 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.588 32.085 15.004 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.368 32.715 13.872 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.292 29.765 13.843 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.619 29.045 14.786 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.205 30.763 15.000 1.00 0.00 H new ATOM 476 N GLN A 31 38.694 30.257 14.006 1.00 0.00 N ATOM 477 CA GLN A 31 39.974 30.612 14.608 1.00 0.00 C ATOM 478 C GLN A 31 40.924 31.180 13.557 1.00 0.00 C ATOM 479 O GLN A 31 41.970 31.740 13.886 1.00 0.00 O ATOM 480 CB GLN A 31 40.596 29.374 15.261 1.00 0.00 C ATOM 481 CG GLN A 31 41.905 29.755 15.954 1.00 0.00 C ATOM 482 CD GLN A 31 42.361 28.620 16.865 1.00 0.00 C ATOM 483 OE1 GLN A 31 41.596 27.693 17.134 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.567 28.638 17.360 1.00 0.00 N ATOM 0 H GLN A 31 38.375 29.311 14.215 1.00 0.00 H new ATOM 0 HA GLN A 31 39.804 31.376 15.367 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.902 28.946 15.985 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.782 28.609 14.507 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.673 29.966 15.209 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.767 30.666 16.536 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.199 29.407 17.136 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.879 27.883 17.971 1.00 0.00 H new ATOM 493 N ASP A 32 40.550 31.039 12.288 1.00 0.00 N ATOM 494 CA ASP A 32 41.373 31.545 11.191 1.00 0.00 C ATOM 495 C ASP A 32 41.022 32.996 10.874 1.00 0.00 C ATOM 496 O ASP A 32 41.901 33.808 10.581 1.00 0.00 O ATOM 497 CB ASP A 32 41.161 30.685 9.942 1.00 0.00 C ATOM 498 CG ASP A 32 42.259 30.960 8.919 1.00 0.00 C ATOM 499 OD1 ASP A 32 43.297 31.469 9.311 1.00 0.00 O1- ATOM 500 OD2 ASP A 32 42.047 30.658 7.757 1.00 0.00 O ATOM 0 H ASP A 32 39.687 30.581 11.994 1.00 0.00 H new ATOM 0 HA ASP A 32 42.418 31.497 11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.164 29.629 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.185 30.899 9.505 1.00 0.00 H new ATOM 505 N LYS A 33 39.729 33.314 10.925 1.00 0.00 N ATOM 506 CA LYS A 33 39.264 34.669 10.632 1.00 0.00 C ATOM 507 C LYS A 33 39.288 35.542 11.884 1.00 0.00 C ATOM 508 O LYS A 33 39.207 36.767 11.795 1.00 0.00 O ATOM 509 CB LYS A 33 37.838 34.614 10.079 1.00 0.00 C ATOM 510 CG LYS A 33 37.840 33.860 8.747 1.00 0.00 C ATOM 511 CD LYS A 33 36.410 33.759 8.211 1.00 0.00 C ATOM 512 CE LYS A 33 36.414 32.991 6.889 1.00 0.00 C ATOM 513 NZ LYS A 33 35.016 32.844 6.393 1.00 0.00 N1+ ATOM 0 H LYS A 33 38.988 32.655 11.165 1.00 0.00 H new ATOM 0 HA LYS A 33 39.935 35.107 9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.179 34.117 10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.451 35.623 9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.473 34.377 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.259 32.863 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.773 33.252 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.994 34.756 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.019 33.519 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.867 32.009 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 34.995 32.156 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 34.407 32.509 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.670 33.764 6.053 1.00 0.00 H new ATOM 527 N THR A 34 39.400 34.908 13.051 1.00 0.00 N ATOM 528 CA THR A 34 39.435 35.637 14.323 1.00 0.00 C ATOM 529 C THR A 34 40.844 35.617 14.907 1.00 0.00 C ATOM 530 O THR A 34 41.280 36.578 15.539 1.00 0.00 O ATOM 531 CB THR A 34 38.462 34.996 15.314 1.00 0.00 C ATOM 532 OG1 THR A 34 38.836 33.642 15.529 1.00 0.00 O ATOM 533 CG2 THR A 34 37.041 35.052 14.751 1.00 0.00 C ATOM 0 H THR A 34 39.468 33.895 13.144 1.00 0.00 H new ATOM 0 HA THR A 34 39.142 36.671 14.141 1.00 0.00 H new ATOM 0 HB THR A 34 38.495 35.539 16.259 1.00 0.00 H new ATOM 0 HG1 THR A 34 38.622 33.113 14.732 1.00 0.00 H new ATOM 0 HG21 THR A 34 36.351 34.594 15.460 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.756 36.091 14.586 1.00 0.00 H new ATOM 0 HG23 THR A 34 37.003 34.510 13.806 1.00 0.00 H new ATOM 541 N GLY A 35 41.552 34.516 14.682 1.00 0.00 N ATOM 542 CA GLY A 35 42.917 34.378 15.179 1.00 0.00 C ATOM 543 C GLY A 35 42.983 34.542 16.696 1.00 0.00 C ATOM 544 O GLY A 35 43.561 35.506 17.197 1.00 0.00 O ATOM 0 H GLY A 35 41.206 33.710 14.162 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.309 33.400 14.901 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.555 35.123 14.704 1.00 0.00 H new ATOM 548 N LEU A 36 42.400 33.591 17.423 1.00 0.00 N ATOM 549 CA LEU A 36 42.415 33.637 18.884 1.00 0.00 C ATOM 550 C LEU A 36 42.264 32.220 19.463 1.00 0.00 C ATOM 551 O LEU A 36 41.700 31.342 18.813 1.00 0.00 O ATOM 552 CB LEU A 36 41.285 34.549 19.400 1.00 0.00 C ATOM 553 CG LEU A 36 40.087 34.499 18.442 1.00 0.00 C ATOM 554 CD1 LEU A 36 39.615 33.049 18.253 1.00 0.00 C ATOM 555 CD2 LEU A 36 38.946 35.344 19.024 1.00 0.00 C ATOM 0 H LEU A 36 41.915 32.785 17.029 1.00 0.00 H new ATOM 0 HA LEU A 36 43.371 34.047 19.211 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.977 34.231 20.396 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.646 35.573 19.490 1.00 0.00 H new ATOM 0 HG LEU A 36 40.385 34.896 17.472 1.00 0.00 H new ATOM 0 HD11 LEU A 36 38.765 33.029 17.571 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.428 32.453 17.837 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.317 32.635 19.216 1.00 0.00 H new ATOM 0 HD21 LEU A 36 38.090 35.314 18.349 1.00 0.00 H new ATOM 0 HD22 LEU A 36 38.656 34.944 19.996 1.00 0.00 H new ATOM 0 HD23 LEU A 36 39.280 36.375 19.141 1.00 0.00 H new ATOM 567 N PRO A 37 42.748 31.976 20.661 1.00 0.00 N ATOM 568 CA PRO A 37 42.635 30.632 21.297 1.00 0.00 C ATOM 569 C PRO A 37 41.245 30.018 21.090 1.00 0.00 C ATOM 570 O PRO A 37 40.270 30.741 20.883 1.00 0.00 O ATOM 571 CB PRO A 37 42.896 30.915 22.782 1.00 0.00 C ATOM 572 CG PRO A 37 43.786 32.120 22.799 1.00 0.00 C ATOM 573 CD PRO A 37 43.452 32.935 21.539 1.00 0.00 C ATOM 0 HA PRO A 37 43.331 29.910 20.869 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.965 31.105 23.317 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.375 30.064 23.267 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.618 32.712 23.699 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.836 31.826 22.802 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.823 33.794 21.775 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.354 33.321 21.064 1.00 0.00 H new ATOM 581 N PRO A 38 41.129 28.714 21.150 1.00 0.00 N ATOM 582 CA PRO A 38 39.819 28.019 20.974 1.00 0.00 C ATOM 583 C PRO A 38 38.907 28.232 22.183 1.00 0.00 C ATOM 584 O PRO A 38 37.683 28.206 22.063 1.00 0.00 O ATOM 585 CB PRO A 38 40.216 26.544 20.818 1.00 0.00 C ATOM 586 CG PRO A 38 41.507 26.416 21.561 1.00 0.00 C ATOM 587 CD PRO A 38 42.226 27.758 21.392 1.00 0.00 C ATOM 0 HA PRO A 38 39.250 28.394 20.123 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.454 25.883 21.232 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.335 26.275 19.768 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.331 26.198 22.614 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.108 25.599 21.162 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.797 28.021 22.282 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.928 27.734 20.558 1.00 0.00 H new ATOM 595 N ASP A 39 39.521 28.441 23.344 1.00 0.00 N ATOM 596 CA ASP A 39 38.765 28.658 24.572 1.00 0.00 C ATOM 597 C ASP A 39 38.257 30.095 24.640 1.00 0.00 C ATOM 598 O ASP A 39 37.608 30.489 25.610 1.00 0.00 O ATOM 599 CB ASP A 39 39.648 28.368 25.789 1.00 0.00 C ATOM 600 CG ASP A 39 38.878 28.657 27.073 1.00 0.00 C ATOM 601 OD1 ASP A 39 37.899 27.973 27.320 1.00 0.00 O ATOM 602 OD2 ASP A 39 39.280 29.558 27.792 1.00 0.00 O1- ATOM 0 H ASP A 39 40.534 28.465 23.460 1.00 0.00 H new ATOM 0 HA ASP A 39 37.911 27.981 24.575 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.970 27.327 25.775 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.549 28.981 25.750 1.00 0.00 H new ATOM 607 N GLN A 40 38.555 30.874 23.599 1.00 0.00 N ATOM 608 CA GLN A 40 38.123 32.275 23.532 1.00 0.00 C ATOM 609 C GLN A 40 36.986 32.424 22.523 1.00 0.00 C ATOM 610 O GLN A 40 36.604 33.537 22.161 1.00 0.00 O ATOM 611 CB GLN A 40 39.309 33.163 23.115 1.00 0.00 C ATOM 612 CG GLN A 40 39.087 34.602 23.596 1.00 0.00 C ATOM 613 CD GLN A 40 39.333 34.690 25.099 1.00 0.00 C ATOM 614 OE1 GLN A 40 38.416 34.998 25.862 1.00 0.00 O ATOM 615 NE2 GLN A 40 40.522 34.435 25.574 1.00 0.00 N ATOM 0 H GLN A 40 39.093 30.561 22.791 1.00 0.00 H new ATOM 0 HA GLN A 40 37.768 32.586 24.514 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.234 32.769 23.537 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.421 33.147 22.031 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.759 35.279 23.068 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.070 34.919 23.366 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.280 34.180 24.941 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.693 34.491 26.578 1.00 0.00 H new ATOM 624 N GLN A 41 36.451 31.292 22.068 1.00 0.00 N ATOM 625 CA GLN A 41 35.357 31.293 21.093 1.00 0.00 C ATOM 626 C GLN A 41 34.066 30.794 21.730 1.00 0.00 C ATOM 627 O GLN A 41 34.085 29.914 22.593 1.00 0.00 O ATOM 628 CB GLN A 41 35.718 30.391 19.910 1.00 0.00 C ATOM 629 CG GLN A 41 36.817 31.055 19.079 1.00 0.00 C ATOM 630 CD GLN A 41 37.317 30.089 18.011 1.00 0.00 C ATOM 631 OE1 GLN A 41 38.081 30.532 17.050 1.00 0.00 O flip ATOM 632 NE2 GLN A 41 37.000 28.899 18.050 1.00 0.00 N flip ATOM 0 H GLN A 41 36.756 30.363 22.357 1.00 0.00 H new ATOM 0 HA GLN A 41 35.206 32.316 20.747 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.056 29.419 20.270 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.838 30.213 19.292 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.433 31.961 18.611 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.642 31.355 19.725 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.403 28.555 18.802 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.335 28.258 17.330 1.00 0.00 H new ATOM 641 N ARG A 42 32.943 31.360 21.294 1.00 0.00 N ATOM 642 CA ARG A 42 31.631 30.973 21.814 1.00 0.00 C ATOM 643 C ARG A 42 30.608 30.932 20.683 1.00 0.00 C ATOM 644 O ARG A 42 30.451 31.903 19.941 1.00 0.00 O ATOM 645 CB ARG A 42 31.177 31.971 22.881 1.00 0.00 C ATOM 646 CG ARG A 42 29.868 31.482 23.506 1.00 0.00 C ATOM 647 CD ARG A 42 29.493 32.380 24.687 1.00 0.00 C ATOM 648 NE ARG A 42 28.346 31.824 25.397 1.00 0.00 N ATOM 649 CZ ARG A 42 27.704 32.526 26.327 1.00 0.00 C ATOM 650 NH1 ARG A 42 28.087 33.741 26.610 1.00 0.00 N ATOM 651 NH2 ARG A 42 26.689 31.998 26.957 1.00 0.00 N1+ ATOM 0 H ARG A 42 32.914 32.089 20.581 1.00 0.00 H new ATOM 0 HA ARG A 42 31.710 29.981 22.259 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.944 32.074 23.649 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.036 32.956 22.437 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.072 31.493 22.761 1.00 0.00 H new ATOM 0 HG3 ARG A 42 29.977 30.451 23.841 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.340 32.473 25.366 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.258 33.383 24.331 1.00 0.00 H new ATOM 0 HE ARG A 42 28.031 30.879 25.176 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.879 34.154 26.118 1.00 0.00 H new ATOM 0 HH12 ARG A 42 27.594 34.278 27.323 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.389 31.048 26.736 1.00 0.00 H new ATOM 0 HH22 ARG A 42 26.196 32.535 27.670 1.00 0.00 H new ATOM 665 N LEU A 43 29.917 29.798 20.548 1.00 0.00 N ATOM 666 CA LEU A 43 28.910 29.629 19.494 1.00 0.00 C ATOM 667 C LEU A 43 27.557 29.251 20.090 1.00 0.00 C ATOM 668 O LEU A 43 27.444 28.288 20.848 1.00 0.00 O ATOM 669 CB LEU A 43 29.358 28.531 18.523 1.00 0.00 C ATOM 670 CG LEU A 43 30.727 28.887 17.927 1.00 0.00 C ATOM 671 CD1 LEU A 43 31.279 27.676 17.169 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.595 30.079 16.961 1.00 0.00 C ATOM 0 H LEU A 43 30.034 28.985 21.152 1.00 0.00 H new ATOM 0 HA LEU A 43 28.808 30.576 18.964 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.416 27.575 19.043 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.623 28.416 17.726 1.00 0.00 H new ATOM 0 HG LEU A 43 31.406 29.160 18.735 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.251 27.925 16.744 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.387 26.836 17.855 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.592 27.404 16.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.573 30.321 16.546 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.912 29.818 16.153 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.206 30.943 17.500 1.00 0.00 H new ATOM 684 N ILE A 44 26.528 30.017 19.725 1.00 0.00 N ATOM 685 CA ILE A 44 25.166 29.766 20.205 1.00 0.00 C ATOM 686 C ILE A 44 24.172 29.962 19.063 1.00 0.00 C ATOM 687 O ILE A 44 24.132 31.019 18.435 1.00 0.00 O ATOM 688 CB ILE A 44 24.816 30.718 21.360 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.647 30.360 22.597 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.327 30.591 21.698 1.00 0.00 C ATOM 691 CD1 ILE A 44 25.540 31.488 23.627 1.00 0.00 C ATOM 0 H ILE A 44 26.611 30.817 19.098 1.00 0.00 H new ATOM 0 HA ILE A 44 25.110 28.739 20.567 1.00 0.00 H new ATOM 0 HB ILE A 44 25.037 31.742 21.058 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.292 29.424 23.028 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.689 30.207 22.316 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.081 31.267 22.517 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.732 30.850 20.822 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.108 29.566 21.995 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.131 31.234 24.507 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.916 32.414 23.192 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.497 31.620 23.916 1.00 0.00 H new ATOM 703 N PHE A 45 23.366 28.933 18.806 1.00 0.00 N ATOM 704 CA PHE A 45 22.359 28.989 17.743 1.00 0.00 C ATOM 705 C PHE A 45 20.962 28.860 18.339 1.00 0.00 C ATOM 706 O PHE A 45 20.716 27.994 19.180 1.00 0.00 O ATOM 707 CB PHE A 45 22.584 27.850 16.749 1.00 0.00 C ATOM 708 CG PHE A 45 21.609 27.995 15.602 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.748 29.051 14.695 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.564 27.076 15.449 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.844 29.189 13.635 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.659 27.213 14.388 1.00 0.00 C ATOM 713 CZ PHE A 45 19.800 28.270 13.482 1.00 0.00 C ATOM 0 H PHE A 45 23.389 28.051 19.318 1.00 0.00 H new ATOM 0 HA PHE A 45 22.449 29.946 17.229 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.608 27.872 16.377 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.445 26.888 17.242 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.554 29.761 14.813 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.455 26.261 16.149 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.952 30.005 12.935 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.853 26.503 14.270 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.103 28.377 12.664 1.00 0.00 H new ATOM 723 N ALA A 46 20.051 29.720 17.903 1.00 0.00 N ATOM 724 CA ALA A 46 18.682 29.682 18.406 1.00 0.00 C ATOM 725 C ALA A 46 18.670 29.673 19.932 1.00 0.00 C ATOM 726 O ALA A 46 17.662 29.335 20.553 1.00 0.00 O ATOM 727 CB ALA A 46 17.968 28.435 17.882 1.00 0.00 C ATOM 0 H ALA A 46 20.231 30.446 17.209 1.00 0.00 H new ATOM 0 HA ALA A 46 18.162 30.574 18.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.947 28.414 18.262 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.949 28.457 16.792 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.498 27.544 18.218 1.00 0.00 H new ATOM 733 N GLY A 47 19.798 30.052 20.534 1.00 0.00 N ATOM 734 CA GLY A 47 19.917 30.092 21.993 1.00 0.00 C ATOM 735 C GLY A 47 20.660 28.866 22.515 1.00 0.00 C ATOM 736 O GLY A 47 21.288 28.915 23.573 1.00 0.00 O ATOM 0 H GLY A 47 20.641 30.335 20.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.445 30.997 22.294 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.925 30.138 22.441 1.00 0.00 H new ATOM 740 N LYS A 48 20.586 27.769 21.768 1.00 0.00 N ATOM 741 CA LYS A 48 21.257 26.536 22.169 1.00 0.00 C ATOM 742 C LYS A 48 22.769 26.675 22.016 1.00 0.00 C ATOM 743 O LYS A 48 23.254 27.199 21.012 1.00 0.00 O ATOM 744 CB LYS A 48 20.760 25.371 21.313 1.00 0.00 C ATOM 745 CG LYS A 48 19.296 25.081 21.648 1.00 0.00 C ATOM 746 CD LYS A 48 18.798 23.912 20.797 1.00 0.00 C ATOM 747 CE LYS A 48 17.351 23.588 21.174 1.00 0.00 C ATOM 748 NZ LYS A 48 16.914 22.361 20.453 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.073 27.707 20.889 1.00 0.00 H new ATOM 0 HA LYS A 48 21.026 26.342 23.216 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.861 25.614 20.255 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.369 24.485 21.496 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.195 24.842 22.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.687 25.966 21.461 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.861 24.165 19.739 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.431 23.038 20.954 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.269 23.439 22.251 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.701 24.425 20.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.930 22.140 20.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.978 22.520 19.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.528 21.565 20.719 1.00 0.00 H new ATOM 762 N GLN A 49 23.513 26.205 23.018 1.00 0.00 N ATOM 763 CA GLN A 49 24.973 26.284 22.984 1.00 0.00 C ATOM 764 C GLN A 49 25.565 25.075 22.270 1.00 0.00 C ATOM 765 O GLN A 49 25.177 23.935 22.526 1.00 0.00 O ATOM 766 CB GLN A 49 25.530 26.356 24.407 1.00 0.00 C ATOM 767 CG GLN A 49 27.057 26.419 24.352 1.00 0.00 C ATOM 768 CD GLN A 49 27.614 26.760 25.730 1.00 0.00 C ATOM 769 OE1 GLN A 49 26.874 27.208 26.606 1.00 0.00 O ATOM 770 NE2 GLN A 49 28.884 26.578 25.976 1.00 0.00 N ATOM 0 H GLN A 49 23.132 25.769 23.857 1.00 0.00 H new ATOM 0 HA GLN A 49 25.250 27.186 22.438 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.137 27.234 24.919 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.211 25.484 24.979 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.457 25.463 24.015 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.373 27.169 23.627 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.496 26.207 25.249 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.263 26.807 26.895 1.00 0.00 H new ATOM 779 N LEU A 50 26.504 25.338 21.365 1.00 0.00 N ATOM 780 CA LEU A 50 27.151 24.274 20.601 1.00 0.00 C ATOM 781 C LEU A 50 28.369 23.723 21.339 1.00 0.00 C ATOM 782 O LEU A 50 29.067 24.452 22.042 1.00 0.00 O ATOM 783 CB LEU A 50 27.585 24.813 19.235 1.00 0.00 C ATOM 784 CG LEU A 50 26.429 25.575 18.578 1.00 0.00 C ATOM 785 CD1 LEU A 50 26.814 25.937 17.139 1.00 0.00 C ATOM 786 CD2 LEU A 50 25.170 24.696 18.565 1.00 0.00 C ATOM 0 H LEU A 50 26.834 26.277 21.143 1.00 0.00 H new ATOM 0 HA LEU A 50 26.433 23.464 20.472 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.445 25.472 19.352 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.899 23.990 18.594 1.00 0.00 H new ATOM 0 HG LEU A 50 26.227 26.484 19.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.994 26.479 16.668 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.706 26.564 17.148 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.017 25.026 16.576 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.350 25.241 18.097 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.368 23.785 18.001 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.896 24.437 19.588 1.00 0.00 H new ATOM 798 N GLU A 51 28.615 22.425 21.160 1.00 0.00 N ATOM 799 CA GLU A 51 29.751 21.758 21.798 1.00 0.00 C ATOM 800 C GLU A 51 30.259 20.626 20.913 1.00 0.00 C ATOM 801 O GLU A 51 29.550 20.158 20.022 1.00 0.00 O ATOM 802 CB GLU A 51 29.339 21.188 23.158 1.00 0.00 C ATOM 803 CG GLU A 51 29.099 22.326 24.152 1.00 0.00 C ATOM 804 CD GLU A 51 28.783 21.752 25.528 1.00 0.00 C ATOM 805 OE1 GLU A 51 28.957 20.558 25.704 1.00 0.00 O ATOM 806 OE2 GLU A 51 28.370 22.515 26.386 1.00 0.00 O1- ATOM 0 H GLU A 51 28.042 21.814 20.578 1.00 0.00 H new ATOM 0 HA GLU A 51 30.544 22.492 21.941 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.434 20.590 23.052 1.00 0.00 H new ATOM 0 HB3 GLU A 51 30.117 20.524 23.534 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.981 22.964 24.208 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.274 22.951 23.811 1.00 0.00 H new ATOM 813 N ASP A 52 31.487 20.185 21.162 1.00 0.00 N ATOM 814 CA ASP A 52 32.068 19.102 20.378 1.00 0.00 C ATOM 815 C ASP A 52 31.325 17.797 20.647 1.00 0.00 C ATOM 816 O ASP A 52 30.741 17.612 21.715 1.00 0.00 O ATOM 817 CB ASP A 52 33.549 18.936 20.723 1.00 0.00 C ATOM 818 CG ASP A 52 33.710 18.557 22.191 1.00 0.00 C ATOM 819 OD1 ASP A 52 32.719 18.585 22.904 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 34.823 18.244 22.582 1.00 0.00 O ATOM 0 H ASP A 52 32.094 20.556 21.893 1.00 0.00 H new ATOM 0 HA ASP A 52 31.975 19.351 19.321 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.993 18.167 20.091 1.00 0.00 H new ATOM 0 HB3 ASP A 52 34.083 19.864 20.519 1.00 0.00 H new ATOM 825 N GLY A 53 31.345 16.895 19.668 1.00 0.00 N ATOM 826 CA GLY A 53 30.666 15.608 19.802 1.00 0.00 C ATOM 827 C GLY A 53 29.244 15.685 19.258 1.00 0.00 C ATOM 828 O GLY A 53 28.479 14.726 19.355 1.00 0.00 O ATOM 0 H GLY A 53 31.822 17.031 18.777 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.224 14.840 19.266 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.643 15.312 20.851 1.00 0.00 H new ATOM 832 N ARG A 54 28.899 16.836 18.682 1.00 0.00 N ATOM 833 CA ARG A 54 27.566 17.049 18.113 1.00 0.00 C ATOM 834 C ARG A 54 27.682 17.656 16.719 1.00 0.00 C ATOM 835 O ARG A 54 28.574 18.458 16.456 1.00 0.00 O ATOM 836 CB ARG A 54 26.762 17.991 19.015 1.00 0.00 C ATOM 837 CG ARG A 54 26.331 17.240 20.277 1.00 0.00 C ATOM 838 CD ARG A 54 25.833 18.237 21.325 1.00 0.00 C ATOM 839 NE ARG A 54 25.217 17.530 22.443 1.00 0.00 N ATOM 840 CZ ARG A 54 23.993 17.021 22.343 1.00 0.00 C ATOM 841 NH1 ARG A 54 23.324 17.144 21.230 1.00 0.00 N ATOM 842 NH2 ARG A 54 23.462 16.399 23.360 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.524 17.637 18.596 1.00 0.00 H new ATOM 0 HA ARG A 54 27.055 16.089 18.043 1.00 0.00 H new ATOM 0 HB2 ARG A 54 27.365 18.859 19.283 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.887 18.363 18.483 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.543 16.527 20.036 1.00 0.00 H new ATOM 0 HG3 ARG A 54 27.169 16.667 20.675 1.00 0.00 H new ATOM 0 HD2 ARG A 54 26.664 18.844 21.683 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.111 18.919 20.875 1.00 0.00 H new ATOM 0 HE ARG A 54 25.734 17.425 23.316 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.740 17.631 20.436 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.385 16.753 21.154 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.986 16.304 24.230 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.523 16.008 23.285 1.00 0.00 H new ATOM 856 N THR A 55 26.775 17.264 15.826 1.00 0.00 N ATOM 857 CA THR A 55 26.781 17.776 14.453 1.00 0.00 C ATOM 858 C THR A 55 25.691 18.827 14.275 1.00 0.00 C ATOM 859 O THR A 55 24.903 19.078 15.184 1.00 0.00 O ATOM 860 CB THR A 55 26.547 16.628 13.469 1.00 0.00 C ATOM 861 OG1 THR A 55 25.438 15.853 13.902 1.00 0.00 O ATOM 862 CG2 THR A 55 27.796 15.746 13.403 1.00 0.00 C ATOM 0 H THR A 55 26.029 16.597 16.025 1.00 0.00 H new ATOM 0 HA THR A 55 27.751 18.232 14.256 1.00 0.00 H new ATOM 0 HB THR A 55 26.341 17.035 12.479 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.692 15.973 13.278 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.628 14.929 12.702 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.645 16.342 13.069 1.00 0.00 H new ATOM 0 HG23 THR A 55 28.006 15.338 14.392 1.00 0.00 H new ATOM 870 N LEU A 56 25.650 19.434 13.097 1.00 0.00 N ATOM 871 CA LEU A 56 24.647 20.452 12.806 1.00 0.00 C ATOM 872 C LEU A 56 23.250 19.847 12.869 1.00 0.00 C ATOM 873 O LEU A 56 22.289 20.506 13.265 1.00 0.00 O ATOM 874 CB LEU A 56 24.887 21.022 11.412 1.00 0.00 C ATOM 875 CG LEU A 56 26.335 21.504 11.288 1.00 0.00 C ATOM 876 CD1 LEU A 56 26.571 22.028 9.871 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.607 22.629 12.301 1.00 0.00 C ATOM 0 H LEU A 56 26.295 19.242 12.331 1.00 0.00 H new ATOM 0 HA LEU A 56 24.726 21.247 13.548 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.682 20.262 10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.202 21.849 11.225 1.00 0.00 H new ATOM 0 HG LEU A 56 27.008 20.672 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.601 22.373 9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.389 21.229 9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 56 25.892 22.857 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.640 22.964 12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.935 23.464 12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.440 22.257 13.312 1.00 0.00 H new ATOM 889 N SER A 57 23.157 18.588 12.466 1.00 0.00 N ATOM 890 CA SER A 57 21.881 17.877 12.463 1.00 0.00 C ATOM 891 C SER A 57 21.339 17.702 13.879 1.00 0.00 C ATOM 892 O SER A 57 20.159 17.399 14.064 1.00 0.00 O ATOM 893 CB SER A 57 22.057 16.506 11.813 1.00 0.00 C ATOM 894 OG SER A 57 23.001 15.750 12.561 1.00 0.00 O ATOM 0 H SER A 57 23.948 18.035 12.136 1.00 0.00 H new ATOM 0 HA SER A 57 21.166 18.470 11.894 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.102 15.983 11.776 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.398 16.620 10.784 1.00 0.00 H new ATOM 0 HG SER A 57 23.116 14.869 12.148 1.00 0.00 H new ATOM 900 N ASP A 58 22.194 17.899 14.881 1.00 0.00 N ATOM 901 CA ASP A 58 21.765 17.763 16.273 1.00 0.00 C ATOM 902 C ASP A 58 21.148 19.067 16.764 1.00 0.00 C ATOM 903 O ASP A 58 20.126 19.064 17.452 1.00 0.00 O ATOM 904 CB ASP A 58 22.955 17.396 17.164 1.00 0.00 C ATOM 905 CG ASP A 58 23.386 15.958 16.894 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.617 15.234 16.284 1.00 0.00 O ATOM 907 OD2 ASP A 58 24.478 15.601 17.303 1.00 0.00 O1- ATOM 0 H ASP A 58 23.175 18.150 14.759 1.00 0.00 H new ATOM 0 HA ASP A 58 21.020 16.969 16.326 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.786 18.075 16.973 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.683 17.512 18.213 1.00 0.00 H new ATOM 912 N TYR A 59 21.778 20.180 16.402 1.00 0.00 N ATOM 913 CA TYR A 59 21.290 21.495 16.806 1.00 0.00 C ATOM 914 C TYR A 59 20.206 21.981 15.847 1.00 0.00 C ATOM 915 O TYR A 59 19.671 23.079 16.006 1.00 0.00 O ATOM 916 CB TYR A 59 22.448 22.494 16.811 1.00 0.00 C ATOM 917 CG TYR A 59 23.512 22.036 17.780 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.353 22.262 19.153 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.663 21.395 17.305 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.345 21.845 20.049 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.655 20.981 18.201 1.00 0.00 C ATOM 922 CZ TYR A 59 25.496 21.206 19.573 1.00 0.00 C ATOM 923 OH TYR A 59 26.475 20.801 20.457 1.00 0.00 O ATOM 0 H TYR A 59 22.624 20.199 15.832 1.00 0.00 H new ATOM 0 HA TYR A 59 20.866 21.417 17.807 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.869 22.583 15.809 1.00 0.00 H new ATOM 0 HB3 TYR A 59 22.087 23.483 17.094 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.466 22.757 19.520 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.785 21.220 16.246 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.222 22.017 21.108 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.543 20.488 17.834 1.00 0.00 H new ATOM 0 HH TYR A 59 26.209 21.036 21.370 1.00 0.00 H new ATOM 933 N ASN A 60 19.894 21.154 14.854 1.00 0.00 N ATOM 934 CA ASN A 60 18.874 21.496 13.865 1.00 0.00 C ATOM 935 C ASN A 60 19.281 22.735 13.069 1.00 0.00 C ATOM 936 O ASN A 60 18.431 23.472 12.572 1.00 0.00 O ATOM 937 CB ASN A 60 17.531 21.749 14.554 1.00 0.00 C ATOM 938 CG ASN A 60 17.237 20.636 15.554 1.00 0.00 C ATOM 939 OD1 ASN A 60 17.216 19.461 15.188 1.00 0.00 O ATOM 940 ND2 ASN A 60 17.010 20.938 16.804 1.00 0.00 N ATOM 0 H ASN A 60 20.331 20.244 14.712 1.00 0.00 H new ATOM 0 HA ASN A 60 18.776 20.655 13.178 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.551 22.712 15.065 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.736 21.800 13.810 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.815 20.199 17.480 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.028 21.913 17.105 1.00 0.00 H new ATOM 947 N ILE A 61 20.586 22.952 12.952 1.00 0.00 N ATOM 948 CA ILE A 61 21.102 24.096 12.212 1.00 0.00 C ATOM 949 C ILE A 61 20.955 23.873 10.706 1.00 0.00 C ATOM 950 O ILE A 61 21.227 22.784 10.201 1.00 0.00 O ATOM 951 CB ILE A 61 22.577 24.314 12.582 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.657 24.904 13.989 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.239 25.276 11.593 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.090 24.798 14.509 1.00 0.00 C ATOM 0 H ILE A 61 21.304 22.352 13.359 1.00 0.00 H new ATOM 0 HA ILE A 61 20.528 24.984 12.477 1.00 0.00 H new ATOM 0 HB ILE A 61 23.098 23.357 12.545 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.341 25.947 13.975 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.977 24.373 14.656 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.284 25.420 11.869 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.184 24.859 10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.722 26.235 11.617 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.145 25.219 15.513 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.390 23.750 14.538 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.759 25.348 13.847 1.00 0.00 H new ATOM 966 N GLN A 62 20.520 24.917 9.996 1.00 0.00 N ATOM 967 CA GLN A 62 20.331 24.844 8.544 1.00 0.00 C ATOM 968 C GLN A 62 21.166 25.915 7.843 1.00 0.00 C ATOM 969 O GLN A 62 22.143 26.416 8.399 1.00 0.00 O ATOM 970 CB GLN A 62 18.851 25.043 8.210 1.00 0.00 C ATOM 971 CG GLN A 62 18.012 24.058 9.027 1.00 0.00 C ATOM 972 CD GLN A 62 16.532 24.242 8.709 1.00 0.00 C ATOM 973 OE1 GLN A 62 16.083 25.362 8.467 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.743 23.202 8.696 1.00 0.00 N ATOM 0 H GLN A 62 20.292 25.824 10.403 1.00 0.00 H new ATOM 0 HA GLN A 62 20.656 23.864 8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.550 26.067 8.433 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.682 24.886 7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.316 23.036 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.186 24.216 10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.118 22.275 8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.752 23.317 8.485 1.00 0.00 H new ATOM 983 N LYS A 63 20.776 26.259 6.616 1.00 0.00 N ATOM 984 CA LYS A 63 21.502 27.269 5.846 1.00 0.00 C ATOM 985 C LYS A 63 21.167 28.677 6.342 1.00 0.00 C ATOM 986 O LYS A 63 20.079 28.920 6.863 1.00 0.00 O ATOM 987 CB LYS A 63 21.146 27.145 4.357 1.00 0.00 C ATOM 988 CG LYS A 63 22.240 27.793 3.501 1.00 0.00 C ATOM 989 CD LYS A 63 21.862 27.684 2.021 1.00 0.00 C ATOM 990 CE LYS A 63 22.907 28.410 1.170 1.00 0.00 C ATOM 991 NZ LYS A 63 22.501 28.365 -0.263 1.00 0.00 N1+ ATOM 0 H LYS A 63 19.970 25.858 6.137 1.00 0.00 H new ATOM 0 HA LYS A 63 22.571 27.101 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.036 26.095 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.188 27.626 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.363 28.840 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.196 27.301 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.803 26.636 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.876 28.118 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.004 29.445 1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.883 27.942 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.211 28.858 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.430 27.375 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.578 28.830 -0.377 1.00 0.00 H new ATOM 1005 N GLU A 64 22.115 29.596 6.170 1.00 0.00 N ATOM 1006 CA GLU A 64 21.923 30.981 6.598 1.00 0.00 C ATOM 1007 C GLU A 64 21.612 31.048 8.091 1.00 0.00 C ATOM 1008 O GLU A 64 20.966 31.986 8.560 1.00 0.00 O ATOM 1009 CB GLU A 64 20.783 31.626 5.805 1.00 0.00 C ATOM 1010 CG GLU A 64 20.871 31.206 4.334 1.00 0.00 C ATOM 1011 CD GLU A 64 20.026 32.138 3.472 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.331 32.967 4.037 1.00 0.00 O1- ATOM 1013 OE2 GLU A 64 20.087 32.010 2.260 1.00 0.00 O ATOM 0 H GLU A 64 23.020 29.408 5.739 1.00 0.00 H new ATOM 0 HA GLU A 64 22.847 31.526 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.822 31.325 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.840 32.711 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.909 31.232 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.525 30.179 4.220 1.00 0.00 H new ATOM 1020 N SER A 65 22.077 30.048 8.831 1.00 0.00 N ATOM 1021 CA SER A 65 21.846 30.001 10.271 1.00 0.00 C ATOM 1022 C SER A 65 22.660 31.086 10.978 1.00 0.00 C ATOM 1023 O SER A 65 23.868 31.200 10.773 1.00 0.00 O ATOM 1024 CB SER A 65 22.224 28.612 10.799 1.00 0.00 C ATOM 1025 OG SER A 65 21.069 27.782 10.786 1.00 0.00 O ATOM 0 H SER A 65 22.613 29.263 8.461 1.00 0.00 H new ATOM 0 HA SER A 65 20.791 30.186 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 65 23.009 28.175 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.621 28.689 11.811 1.00 0.00 H new ATOM 0 HG SER A 65 20.678 27.752 11.684 1.00 0.00 H new ATOM 1031 N THR A 66 21.987 31.886 11.803 1.00 0.00 N ATOM 1032 CA THR A 66 22.649 32.968 12.526 1.00 0.00 C ATOM 1033 C THR A 66 23.284 32.466 13.818 1.00 0.00 C ATOM 1034 O THR A 66 22.591 32.074 14.756 1.00 0.00 O ATOM 1035 CB THR A 66 21.628 34.072 12.839 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.315 34.773 11.643 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.202 35.050 13.868 1.00 0.00 C ATOM 0 H THR A 66 20.987 31.805 11.987 1.00 0.00 H new ATOM 0 HA THR A 66 23.444 33.366 11.896 1.00 0.00 H new ATOM 0 HB THR A 66 20.727 33.617 13.250 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.662 35.477 11.838 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.468 35.827 14.080 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.439 34.514 14.787 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.108 35.506 13.470 1.00 0.00 H new ATOM 1045 N LEU A 67 24.612 32.510 13.860 1.00 0.00 N ATOM 1046 CA LEU A 67 25.358 32.082 15.036 1.00 0.00 C ATOM 1047 C LEU A 67 25.633 33.291 15.925 1.00 0.00 C ATOM 1048 O LEU A 67 25.105 34.375 15.680 1.00 0.00 O ATOM 1049 CB LEU A 67 26.692 31.453 14.613 1.00 0.00 C ATOM 1050 CG LEU A 67 26.463 30.105 13.900 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.851 29.082 14.871 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.533 30.297 12.687 1.00 0.00 C ATOM 0 H LEU A 67 25.194 32.839 13.090 1.00 0.00 H new ATOM 0 HA LEU A 67 24.771 31.344 15.582 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.226 32.134 13.950 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.322 31.303 15.490 1.00 0.00 H new ATOM 0 HG LEU A 67 27.426 29.729 13.554 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.696 28.136 14.352 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.528 28.928 15.712 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.895 29.456 15.238 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.379 29.338 12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.574 30.691 13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.988 30.998 11.987 1.00 0.00 H new ATOM 1064 N HIS A 68 26.465 33.106 16.948 1.00 0.00 N ATOM 1065 CA HIS A 68 26.802 34.203 17.861 1.00 0.00 C ATOM 1066 C HIS A 68 28.228 34.054 18.380 1.00 0.00 C ATOM 1067 O HIS A 68 28.547 33.094 19.081 1.00 0.00 O ATOM 1068 CB HIS A 68 25.842 34.213 19.052 1.00 0.00 C ATOM 1069 CG HIS A 68 24.447 34.535 18.588 1.00 0.00 C ATOM 1070 ND1 HIS A 68 23.960 35.489 17.729 1.00 0.00 N flip ATOM 1071 CD2 HIS A 68 23.340 33.829 19.034 1.00 0.00 C flip ATOM 1072 CE1 HIS A 68 22.576 35.378 17.640 1.00 0.00 C flip ATOM 1073 NE2 HIS A 68 22.254 34.364 18.447 1.00 0.00 N flip ATOM 0 H HIS A 68 26.916 32.217 17.167 1.00 0.00 H new ATOM 0 HA HIS A 68 26.715 35.138 17.308 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.854 33.242 19.547 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.169 34.949 19.786 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.348 33.000 19.727 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.906 35.982 17.046 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.301 34.035 18.600 1.00 0.00 H new ATOM 1081 N ILE A 69 29.081 35.021 18.042 1.00 0.00 N ATOM 1082 CA ILE A 69 30.477 35.012 18.489 1.00 0.00 C ATOM 1083 C ILE A 69 30.761 36.262 19.318 1.00 0.00 C ATOM 1084 O ILE A 69 30.857 37.368 18.784 1.00 0.00 O ATOM 1085 CB ILE A 69 31.420 34.956 17.274 1.00 0.00 C ATOM 1086 CG1 ILE A 69 30.855 35.819 16.144 1.00 0.00 C ATOM 1087 CG2 ILE A 69 31.549 33.511 16.781 1.00 0.00 C ATOM 1088 CD1 ILE A 69 31.938 36.043 15.085 1.00 0.00 C ATOM 0 H ILE A 69 28.831 35.821 17.460 1.00 0.00 H new ATOM 0 HA ILE A 69 30.649 34.130 19.106 1.00 0.00 H new ATOM 0 HB ILE A 69 32.400 35.330 17.570 1.00 0.00 H new ATOM 0 HG12 ILE A 69 29.989 35.331 15.697 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.513 36.776 16.538 1.00 0.00 H new ATOM 0 HG21 ILE A 69 32.218 33.478 15.921 1.00 0.00 H new ATOM 0 HG22 ILE A 69 31.954 32.889 17.579 1.00 0.00 H new ATOM 0 HG23 ILE A 69 30.567 33.136 16.492 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.537 36.658 14.279 1.00 0.00 H new ATOM 0 HD12 ILE A 69 32.791 36.549 15.538 1.00 0.00 H new ATOM 0 HD13 ILE A 69 32.258 35.082 14.683 1.00 0.00 H new ATOM 1100 N VAL A 70 30.890 36.078 20.631 1.00 0.00 N ATOM 1101 CA VAL A 70 31.159 37.194 21.540 1.00 0.00 C ATOM 1102 C VAL A 70 32.612 37.161 22.005 1.00 0.00 C ATOM 1103 O VAL A 70 33.122 36.119 22.418 1.00 0.00 O ATOM 1104 CB VAL A 70 30.226 37.116 22.755 1.00 0.00 C ATOM 1105 CG1 VAL A 70 28.825 37.593 22.362 1.00 0.00 C ATOM 1106 CG2 VAL A 70 30.146 35.669 23.250 1.00 0.00 C ATOM 0 H VAL A 70 30.813 35.170 21.089 1.00 0.00 H new ATOM 0 HA VAL A 70 30.980 38.128 21.007 1.00 0.00 H new ATOM 0 HB VAL A 70 30.618 37.753 23.548 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.165 37.536 23.228 1.00 0.00 H new ATOM 0 HG12 VAL A 70 28.877 38.624 22.012 1.00 0.00 H new ATOM 0 HG13 VAL A 70 28.435 36.959 21.566 1.00 0.00 H new ATOM 0 HG21 VAL A 70 29.483 35.616 24.113 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.758 35.033 22.454 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.141 35.327 23.535 1.00 0.00 H new