USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 571 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 22 THR OG1 : rot -84:sc= 1.34 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= 0.399 F(o=-0.53,f=1.7) USER MOD Set 2.1: A 7 THR OG1 : rot 128:sc= 0.554 USER MOD Set 2.2: A 9 THR OG1 : rot -139:sc= -1.7 USER MOD Single : A 1 MET CE :methyl -151:sc= 0 (180deg=-0.628) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.08 (180deg=0.144) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.0432 (180deg=-0.385) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.778 USER MOD Single : A 20 SER OG : rot 5:sc= 1 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0249 (180deg=-0.37) USER MOD Single : A 31 GLN : amide:sc= -3.05! C(o=-3.1!,f=-5.1!) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0105 (180deg=-0.242) USER MOD Single : A 40 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.000747 (180deg=-0.17) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.799 F(o=-3!,f=-0.8) USER MOD Single : A 55 THR OG1 : rot 44:sc= 0.538 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.197 USER MOD Single : A 60 ASN : amide:sc= -1.89 K(o=-1.9,f=-4.7!) USER MOD Single : A 62 GLN :FLIP amide:sc= -6.02! C(o=-6.8!,f=-6!) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= -0.913 (180deg=-1.57) USER MOD Single : A 66 THR OG1 : rot 27:sc= 0.107 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.269 31.763 2.551 1.00 0.00 N ATOM 2 CA MET A 1 31.115 33.128 3.127 1.00 0.00 C ATOM 3 C MET A 1 31.991 33.253 4.367 1.00 0.00 C ATOM 4 O MET A 1 32.537 32.263 4.855 1.00 0.00 O ATOM 5 CB MET A 1 29.647 33.365 3.499 1.00 0.00 C ATOM 6 CG MET A 1 29.205 32.343 4.553 1.00 0.00 C ATOM 7 SD MET A 1 27.429 32.528 4.862 1.00 0.00 S ATOM 8 CE MET A 1 27.314 31.438 6.304 1.00 0.00 C ATOM 0 H1 MET A 1 30.386 31.484 2.078 1.00 0.00 H new ATOM 0 H2 MET A 1 32.047 31.763 1.861 1.00 0.00 H new ATOM 0 H3 MET A 1 31.482 31.087 3.312 1.00 0.00 H new ATOM 0 HA MET A 1 31.421 33.873 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.519 34.377 3.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.020 33.280 2.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.422 31.332 4.209 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.764 32.492 5.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.317 30.999 6.350 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.056 30.644 6.220 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.499 32.014 7.211 1.00 0.00 H new ATOM 20 N GLN A 2 32.124 34.477 4.878 1.00 0.00 N ATOM 21 CA GLN A 2 32.935 34.730 6.065 1.00 0.00 C ATOM 22 C GLN A 2 32.057 35.208 7.219 1.00 0.00 C ATOM 23 O GLN A 2 31.015 35.830 7.007 1.00 0.00 O ATOM 24 CB GLN A 2 33.979 35.805 5.749 1.00 0.00 C ATOM 25 CG GLN A 2 34.945 35.291 4.678 1.00 0.00 C ATOM 26 CD GLN A 2 35.972 36.368 4.342 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.726 37.553 4.566 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.115 36.025 3.814 1.00 0.00 N ATOM 0 H GLN A 2 31.680 35.308 4.487 1.00 0.00 H new ATOM 0 HA GLN A 2 33.429 33.803 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 2 33.486 36.713 5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 2 34.529 36.067 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.450 34.393 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.392 35.012 3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.317 35.042 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.806 36.739 3.586 1.00 0.00 H new ATOM 37 N ILE A 3 32.508 34.940 8.441 1.00 0.00 N ATOM 38 CA ILE A 3 31.786 35.376 9.636 1.00 0.00 C ATOM 39 C ILE A 3 32.752 35.546 10.794 1.00 0.00 C ATOM 40 O ILE A 3 33.923 35.181 10.700 1.00 0.00 O ATOM 41 CB ILE A 3 30.672 34.395 10.029 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.233 32.962 10.109 1.00 0.00 C ATOM 43 CG2 ILE A 3 29.529 34.474 9.005 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.089 31.942 10.078 1.00 0.00 C ATOM 0 H ILE A 3 33.367 34.425 8.631 1.00 0.00 H new ATOM 0 HA ILE A 3 31.317 36.332 9.402 1.00 0.00 H new ATOM 0 HB ILE A 3 30.282 34.665 11.010 1.00 0.00 H new ATOM 0 HG12 ILE A 3 31.912 32.783 9.276 1.00 0.00 H new ATOM 0 HG13 ILE A 3 31.813 32.841 11.024 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.740 33.777 9.286 1.00 0.00 H new ATOM 0 HG22 ILE A 3 29.128 35.487 8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.908 34.214 8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.499 30.934 10.135 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.426 32.113 10.926 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.527 32.053 9.150 1.00 0.00 H new ATOM 56 N PHE A 4 32.251 36.115 11.884 1.00 0.00 N ATOM 57 CA PHE A 4 33.071 36.354 13.071 1.00 0.00 C ATOM 58 C PHE A 4 32.623 35.464 14.222 1.00 0.00 C ATOM 59 O PHE A 4 31.426 35.259 14.429 1.00 0.00 O ATOM 60 CB PHE A 4 32.940 37.817 13.497 1.00 0.00 C ATOM 61 CG PHE A 4 33.405 38.721 12.381 1.00 0.00 C ATOM 62 CD1 PHE A 4 32.496 39.158 11.409 1.00 0.00 C ATOM 63 CD2 PHE A 4 34.742 39.132 12.323 1.00 0.00 C ATOM 64 CE1 PHE A 4 32.924 40.004 10.380 1.00 0.00 C ATOM 65 CE2 PHE A 4 35.171 39.977 11.292 1.00 0.00 C ATOM 66 CZ PHE A 4 34.262 40.414 10.321 1.00 0.00 C ATOM 0 H PHE A 4 31.282 36.420 11.973 1.00 0.00 H new ATOM 0 HA PHE A 4 34.108 36.124 12.825 1.00 0.00 H new ATOM 0 HB2 PHE A 4 31.903 38.040 13.749 1.00 0.00 H new ATOM 0 HB3 PHE A 4 33.532 37.998 14.394 1.00 0.00 H new ATOM 0 HD1 PHE A 4 31.464 38.842 11.454 1.00 0.00 H new ATOM 0 HD2 PHE A 4 35.443 38.797 13.074 1.00 0.00 H new ATOM 0 HE1 PHE A 4 32.223 40.341 9.631 1.00 0.00 H new ATOM 0 HE2 PHE A 4 36.203 40.292 11.246 1.00 0.00 H new ATOM 0 HZ PHE A 4 34.592 41.067 9.527 1.00 0.00 H new ATOM 76 N VAL A 5 33.591 34.948 14.980 1.00 0.00 N ATOM 77 CA VAL A 5 33.299 34.094 16.128 1.00 0.00 C ATOM 78 C VAL A 5 33.835 34.755 17.388 1.00 0.00 C ATOM 79 O VAL A 5 34.988 35.186 17.440 1.00 0.00 O ATOM 80 CB VAL A 5 33.929 32.712 15.937 1.00 0.00 C ATOM 81 CG1 VAL A 5 33.892 31.931 17.259 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.132 31.942 14.882 1.00 0.00 C ATOM 0 H VAL A 5 34.585 35.108 14.818 1.00 0.00 H new ATOM 0 HA VAL A 5 32.221 33.963 16.220 1.00 0.00 H new ATOM 0 HB VAL A 5 34.964 32.830 15.617 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.342 30.949 17.114 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.450 32.477 18.020 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.858 31.812 17.582 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.574 30.956 14.740 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.100 31.832 15.214 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.153 32.489 13.939 1.00 0.00 H new ATOM 92 N LYS A 6 32.974 34.845 18.386 1.00 0.00 N ATOM 93 CA LYS A 6 33.325 35.478 19.655 1.00 0.00 C ATOM 94 C LYS A 6 33.365 34.448 20.780 1.00 0.00 C ATOM 95 O LYS A 6 32.451 33.636 20.917 1.00 0.00 O ATOM 96 CB LYS A 6 32.271 36.542 19.972 1.00 0.00 C ATOM 97 CG LYS A 6 32.778 37.472 21.069 1.00 0.00 C ATOM 98 CD LYS A 6 31.637 38.397 21.503 1.00 0.00 C ATOM 99 CE LYS A 6 32.087 39.260 22.682 1.00 0.00 C ATOM 100 NZ LYS A 6 32.264 38.402 23.887 1.00 0.00 N ATOM 0 H LYS A 6 32.020 34.487 18.346 1.00 0.00 H new ATOM 0 HA LYS A 6 34.313 35.931 19.572 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.042 37.117 19.075 1.00 0.00 H new ATOM 0 HB3 LYS A 6 31.344 36.064 20.289 1.00 0.00 H new ATOM 0 HG2 LYS A 6 33.137 36.892 21.919 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.621 38.059 20.705 1.00 0.00 H new ATOM 0 HD2 LYS A 6 31.335 39.032 20.670 1.00 0.00 H new ATOM 0 HD3 LYS A 6 30.766 37.806 21.785 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.023 39.764 22.441 1.00 0.00 H new ATOM 0 HE3 LYS A 6 31.348 40.037 22.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 32.234 38.994 24.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 31.500 37.697 23.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.182 37.916 23.835 1.00 0.00 H new ATOM 114 N THR A 7 34.424 34.492 21.593 1.00 0.00 N ATOM 115 CA THR A 7 34.564 33.560 22.716 1.00 0.00 C ATOM 116 C THR A 7 34.328 34.284 24.038 1.00 0.00 C ATOM 117 O THR A 7 34.031 35.480 24.063 1.00 0.00 O ATOM 118 CB THR A 7 35.962 32.935 22.721 1.00 0.00 C ATOM 119 OG1 THR A 7 36.922 33.927 23.052 1.00 0.00 O ATOM 120 CG2 THR A 7 36.275 32.357 21.340 1.00 0.00 C ATOM 0 H THR A 7 35.191 35.157 21.496 1.00 0.00 H new ATOM 0 HA THR A 7 33.820 32.772 22.599 1.00 0.00 H new ATOM 0 HB THR A 7 35.997 32.135 23.460 1.00 0.00 H new ATOM 0 HG1 THR A 7 37.478 33.609 23.794 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.271 31.913 21.348 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.539 31.593 21.090 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.238 33.153 20.596 1.00 0.00 H new ATOM 128 N LEU A 8 34.473 33.562 25.142 1.00 0.00 N ATOM 129 CA LEU A 8 34.276 34.162 26.454 1.00 0.00 C ATOM 130 C LEU A 8 35.407 35.137 26.783 1.00 0.00 C ATOM 131 O LEU A 8 35.218 36.080 27.553 1.00 0.00 O ATOM 132 CB LEU A 8 34.196 33.064 27.531 1.00 0.00 C ATOM 133 CG LEU A 8 34.071 33.698 28.927 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.865 34.647 28.965 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.886 32.595 29.979 1.00 0.00 C ATOM 0 H LEU A 8 34.723 32.573 25.156 1.00 0.00 H new ATOM 0 HA LEU A 8 33.338 34.717 26.439 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.340 32.418 27.339 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.086 32.436 27.487 1.00 0.00 H new ATOM 0 HG LEU A 8 34.978 34.262 29.144 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.783 35.092 29.957 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.998 35.435 28.224 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.956 34.089 28.742 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.798 33.046 30.967 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.982 32.028 29.757 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.747 31.927 29.961 1.00 0.00 H new ATOM 147 N THR A 9 36.584 34.907 26.209 1.00 0.00 N ATOM 148 CA THR A 9 37.726 35.780 26.472 1.00 0.00 C ATOM 149 C THR A 9 37.644 37.053 25.635 1.00 0.00 C ATOM 150 O THR A 9 38.591 37.839 25.598 1.00 0.00 O ATOM 151 CB THR A 9 39.038 35.049 26.170 1.00 0.00 C ATOM 152 OG1 THR A 9 38.918 34.356 24.938 1.00 0.00 O ATOM 153 CG2 THR A 9 39.343 34.052 27.289 1.00 0.00 C ATOM 0 H THR A 9 36.772 34.136 25.568 1.00 0.00 H new ATOM 0 HA THR A 9 37.702 36.054 27.527 1.00 0.00 H new ATOM 0 HB THR A 9 39.849 35.774 26.104 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.341 33.475 25.015 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.277 33.534 27.070 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.436 34.585 28.235 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.533 33.326 27.360 1.00 0.00 H new ATOM 161 N GLY A 10 36.505 37.267 24.979 1.00 0.00 N ATOM 162 CA GLY A 10 36.323 38.464 24.169 1.00 0.00 C ATOM 163 C GLY A 10 37.221 38.439 22.940 1.00 0.00 C ATOM 164 O GLY A 10 37.540 39.484 22.372 1.00 0.00 O ATOM 0 H GLY A 10 35.705 36.634 24.993 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.281 38.542 23.860 1.00 0.00 H new ATOM 0 HA3 GLY A 10 36.545 39.348 24.767 1.00 0.00 H new ATOM 168 N LYS A 11 37.609 37.239 22.519 1.00 0.00 N ATOM 169 CA LYS A 11 38.452 37.089 21.337 1.00 0.00 C ATOM 170 C LYS A 11 37.574 37.017 20.095 1.00 0.00 C ATOM 171 O LYS A 11 36.587 36.280 20.069 1.00 0.00 O ATOM 172 CB LYS A 11 39.287 35.810 21.437 1.00 0.00 C ATOM 173 CG LYS A 11 40.176 35.860 22.683 1.00 0.00 C ATOM 174 CD LYS A 11 40.755 34.466 22.957 1.00 0.00 C ATOM 175 CE LYS A 11 41.771 34.104 21.871 1.00 0.00 C ATOM 176 NZ LYS A 11 42.536 32.896 22.291 1.00 0.00 N ATOM 0 H LYS A 11 37.356 36.362 22.975 1.00 0.00 H new ATOM 0 HA LYS A 11 39.121 37.947 21.272 1.00 0.00 H new ATOM 0 HB2 LYS A 11 38.631 34.941 21.483 1.00 0.00 H new ATOM 0 HB3 LYS A 11 39.903 35.698 20.545 1.00 0.00 H new ATOM 0 HG2 LYS A 11 40.983 36.578 22.538 1.00 0.00 H new ATOM 0 HG3 LYS A 11 39.597 36.200 23.542 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.233 34.447 23.936 1.00 0.00 H new ATOM 0 HD3 LYS A 11 39.954 33.727 22.979 1.00 0.00 H new ATOM 0 HE2 LYS A 11 41.259 33.914 20.928 1.00 0.00 H new ATOM 0 HE3 LYS A 11 42.452 34.938 21.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.227 32.649 21.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.036 33.094 23.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 41.880 32.101 22.431 1.00 0.00 H new ATOM 190 N THR A 12 37.937 37.777 19.061 1.00 0.00 N ATOM 191 CA THR A 12 37.176 37.787 17.811 1.00 0.00 C ATOM 192 C THR A 12 38.060 37.307 16.674 1.00 0.00 C ATOM 193 O THR A 12 39.134 37.856 16.428 1.00 0.00 O ATOM 194 CB THR A 12 36.673 39.199 17.500 1.00 0.00 C ATOM 195 OG1 THR A 12 35.844 39.650 18.564 1.00 0.00 O ATOM 196 CG2 THR A 12 35.866 39.174 16.196 1.00 0.00 C ATOM 0 H THR A 12 38.751 38.392 19.064 1.00 0.00 H new ATOM 0 HA THR A 12 36.319 37.123 17.920 1.00 0.00 H new ATOM 0 HB THR A 12 37.521 39.875 17.390 1.00 0.00 H new ATOM 0 HG1 THR A 12 35.522 40.555 18.367 1.00 0.00 H new ATOM 0 HG21 THR A 12 35.506 40.178 15.971 1.00 0.00 H new ATOM 0 HG22 THR A 12 36.501 38.826 15.382 1.00 0.00 H new ATOM 0 HG23 THR A 12 35.016 38.500 16.307 1.00 0.00 H new ATOM 204 N ILE A 13 37.595 36.278 15.983 1.00 0.00 N ATOM 205 CA ILE A 13 38.337 35.713 14.858 1.00 0.00 C ATOM 206 C ILE A 13 37.404 35.459 13.690 1.00 0.00 C ATOM 207 O ILE A 13 36.253 35.064 13.874 1.00 0.00 O ATOM 208 CB ILE A 13 39.023 34.415 15.278 1.00 0.00 C ATOM 209 CG1 ILE A 13 38.001 33.496 15.944 1.00 0.00 C ATOM 210 CG2 ILE A 13 40.148 34.729 16.264 1.00 0.00 C ATOM 211 CD1 ILE A 13 38.668 32.171 16.312 1.00 0.00 C ATOM 0 H ILE A 13 36.708 35.814 16.178 1.00 0.00 H new ATOM 0 HA ILE A 13 39.100 36.427 14.547 1.00 0.00 H new ATOM 0 HB ILE A 13 39.439 33.921 14.400 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.596 33.972 16.837 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.163 33.318 15.270 1.00 0.00 H new ATOM 0 HG21 ILE A 13 40.638 33.803 16.564 1.00 0.00 H new ATOM 0 HG22 ILE A 13 40.876 35.387 15.788 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.734 35.222 17.144 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.938 31.516 16.787 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.051 31.694 15.410 1.00 0.00 H new ATOM 0 HD13 ILE A 13 39.491 32.357 17.002 1.00 0.00 H new ATOM 223 N THR A 14 37.909 35.690 12.486 1.00 0.00 N ATOM 224 CA THR A 14 37.108 35.485 11.282 1.00 0.00 C ATOM 225 C THR A 14 37.341 34.089 10.718 1.00 0.00 C ATOM 226 O THR A 14 38.474 33.611 10.644 1.00 0.00 O ATOM 227 CB THR A 14 37.455 36.541 10.233 1.00 0.00 C ATOM 228 OG1 THR A 14 37.501 37.817 10.859 1.00 0.00 O ATOM 229 CG2 THR A 14 36.376 36.548 9.143 1.00 0.00 C ATOM 0 H THR A 14 38.860 36.016 12.315 1.00 0.00 H new ATOM 0 HA THR A 14 36.055 35.581 11.545 1.00 0.00 H new ATOM 0 HB THR A 14 38.422 36.314 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.590 38.161 10.969 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.621 37.300 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.330 35.567 8.671 1.00 0.00 H new ATOM 0 HG23 THR A 14 35.409 36.782 9.589 1.00 0.00 H new ATOM 237 N LEU A 15 36.245 33.439 10.337 1.00 0.00 N ATOM 238 CA LEU A 15 36.286 32.081 9.792 1.00 0.00 C ATOM 239 C LEU A 15 35.658 32.055 8.396 1.00 0.00 C ATOM 240 O LEU A 15 34.684 32.760 8.129 1.00 0.00 O ATOM 241 CB LEU A 15 35.494 31.146 10.745 1.00 0.00 C ATOM 242 CG LEU A 15 36.432 30.211 11.525 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.362 31.031 12.432 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.583 29.266 12.382 1.00 0.00 C ATOM 0 H LEU A 15 35.307 33.834 10.396 1.00 0.00 H new ATOM 0 HA LEU A 15 37.320 31.745 9.711 1.00 0.00 H new ATOM 0 HB2 LEU A 15 34.912 31.746 11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.785 30.553 10.168 1.00 0.00 H new ATOM 0 HG LEU A 15 37.041 29.639 10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.022 30.358 12.980 1.00 0.00 H new ATOM 0 HD12 LEU A 15 37.960 31.709 11.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 36.765 31.608 13.138 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.236 28.596 12.941 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.980 29.849 13.078 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.928 28.679 11.737 1.00 0.00 H new ATOM 256 N GLU A 16 36.204 31.210 7.525 1.00 0.00 N ATOM 257 CA GLU A 16 35.675 31.058 6.165 1.00 0.00 C ATOM 258 C GLU A 16 34.977 29.710 6.062 1.00 0.00 C ATOM 259 O GLU A 16 35.580 28.672 6.330 1.00 0.00 O ATOM 260 CB GLU A 16 36.802 31.145 5.126 1.00 0.00 C ATOM 261 CG GLU A 16 38.033 30.392 5.629 1.00 0.00 C ATOM 262 CD GLU A 16 39.145 30.460 4.587 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.729 31.521 4.442 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.395 29.450 3.950 1.00 0.00 O ATOM 0 H GLU A 16 37.010 30.620 7.732 1.00 0.00 H new ATOM 0 HA GLU A 16 34.969 31.864 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.468 30.722 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.055 32.188 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.376 30.825 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.776 29.352 5.832 1.00 0.00 H new ATOM 271 N VAL A 17 33.700 29.729 5.688 1.00 0.00 N ATOM 272 CA VAL A 17 32.934 28.486 5.580 1.00 0.00 C ATOM 273 C VAL A 17 31.913 28.552 4.451 1.00 0.00 C ATOM 274 O VAL A 17 31.613 29.623 3.922 1.00 0.00 O ATOM 275 CB VAL A 17 32.237 28.177 6.922 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.139 28.596 8.086 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.911 28.939 7.026 1.00 0.00 C ATOM 0 H VAL A 17 33.179 30.575 5.458 1.00 0.00 H new ATOM 0 HA VAL A 17 33.630 27.681 5.345 1.00 0.00 H new ATOM 0 HB VAL A 17 32.043 27.105 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.641 28.375 9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.079 28.046 8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.340 29.665 8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.433 28.709 7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.101 30.010 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.254 28.640 6.209 1.00 0.00 H new ATOM 287 N GLU A 18 31.372 27.387 4.102 1.00 0.00 N ATOM 288 CA GLU A 18 30.367 27.284 3.051 1.00 0.00 C ATOM 289 C GLU A 18 28.983 27.222 3.697 1.00 0.00 C ATOM 290 O GLU A 18 28.846 26.738 4.820 1.00 0.00 O ATOM 291 CB GLU A 18 30.613 26.014 2.227 1.00 0.00 C ATOM 292 CG GLU A 18 31.889 26.179 1.399 1.00 0.00 C ATOM 293 CD GLU A 18 32.313 24.831 0.825 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.687 23.841 1.167 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.256 24.808 0.052 1.00 0.00 O ATOM 0 H GLU A 18 31.616 26.497 4.536 1.00 0.00 H new ATOM 0 HA GLU A 18 30.427 28.151 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.705 25.152 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.764 25.824 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.719 26.891 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.686 26.586 2.021 1.00 0.00 H new ATOM 302 N PRO A 19 27.962 27.697 3.033 1.00 0.00 N ATOM 303 CA PRO A 19 26.581 27.685 3.594 1.00 0.00 C ATOM 304 C PRO A 19 26.065 26.261 3.773 1.00 0.00 C ATOM 305 O PRO A 19 25.036 26.038 4.414 1.00 0.00 O ATOM 306 CB PRO A 19 25.755 28.461 2.552 1.00 0.00 C ATOM 307 CG PRO A 19 26.525 28.329 1.279 1.00 0.00 C ATOM 308 CD PRO A 19 27.995 28.289 1.684 1.00 0.00 C ATOM 0 HA PRO A 19 26.526 28.132 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.752 28.045 2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 19 25.640 29.507 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.242 27.423 0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.326 29.168 0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.585 27.685 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.436 29.286 1.693 1.00 0.00 H new ATOM 316 N SER A 20 26.775 25.298 3.183 1.00 0.00 N ATOM 317 CA SER A 20 26.378 23.893 3.258 1.00 0.00 C ATOM 318 C SER A 20 27.286 23.108 4.200 1.00 0.00 C ATOM 319 O SER A 20 27.195 21.882 4.274 1.00 0.00 O ATOM 320 CB SER A 20 26.452 23.276 1.860 1.00 0.00 C ATOM 321 OG SER A 20 26.321 21.864 1.962 1.00 0.00 O ATOM 0 H SER A 20 27.627 25.466 2.648 1.00 0.00 H new ATOM 0 HA SER A 20 25.360 23.845 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.661 23.681 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 20 27.400 23.532 1.387 1.00 0.00 H new ATOM 0 HG SER A 20 26.132 21.619 2.892 1.00 0.00 H new ATOM 327 N ASP A 21 28.154 23.806 4.927 1.00 0.00 N ATOM 328 CA ASP A 21 29.053 23.145 5.858 1.00 0.00 C ATOM 329 C ASP A 21 28.265 22.546 7.017 1.00 0.00 C ATOM 330 O ASP A 21 27.245 23.094 7.434 1.00 0.00 O ATOM 331 CB ASP A 21 30.080 24.161 6.381 1.00 0.00 C ATOM 332 CG ASP A 21 31.216 24.350 5.374 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.315 23.551 4.457 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.976 25.287 5.541 1.00 0.00 O ATOM 0 H ASP A 21 28.251 24.821 4.888 1.00 0.00 H new ATOM 0 HA ASP A 21 29.575 22.338 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.590 25.117 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.485 23.819 7.333 1.00 0.00 H new ATOM 339 N THR A 22 28.744 21.417 7.535 1.00 0.00 N ATOM 340 CA THR A 22 28.072 20.754 8.649 1.00 0.00 C ATOM 341 C THR A 22 28.628 21.268 9.967 1.00 0.00 C ATOM 342 O THR A 22 29.793 21.654 10.045 1.00 0.00 O ATOM 343 CB THR A 22 28.278 19.238 8.567 1.00 0.00 C ATOM 344 OG1 THR A 22 29.666 18.946 8.633 1.00 0.00 O ATOM 345 CG2 THR A 22 27.704 18.708 7.251 1.00 0.00 C ATOM 0 H THR A 22 29.587 20.946 7.205 1.00 0.00 H new ATOM 0 HA THR A 22 27.006 20.973 8.593 1.00 0.00 H new ATOM 0 HB THR A 22 27.765 18.758 9.400 1.00 0.00 H new ATOM 0 HG1 THR A 22 30.060 19.027 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.853 17.630 7.197 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.638 18.930 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 22 28.212 19.187 6.414 1.00 0.00 H new ATOM 353 N ILE A 23 27.797 21.265 10.997 1.00 0.00 N ATOM 354 CA ILE A 23 28.241 21.733 12.301 1.00 0.00 C ATOM 355 C ILE A 23 29.522 21.010 12.697 1.00 0.00 C ATOM 356 O ILE A 23 30.302 21.500 13.513 1.00 0.00 O ATOM 357 CB ILE A 23 27.156 21.483 13.351 1.00 0.00 C ATOM 358 CG1 ILE A 23 25.790 21.920 12.806 1.00 0.00 C ATOM 359 CG2 ILE A 23 27.474 22.274 14.618 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.883 23.329 12.210 1.00 0.00 C ATOM 0 H ILE A 23 26.828 20.950 10.959 1.00 0.00 H new ATOM 0 HA ILE A 23 28.434 22.804 12.245 1.00 0.00 H new ATOM 0 HB ILE A 23 27.126 20.419 13.584 1.00 0.00 H new ATOM 0 HG12 ILE A 23 25.452 21.217 12.045 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.049 21.904 13.606 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.699 22.094 15.363 1.00 0.00 H new ATOM 0 HG22 ILE A 23 28.439 21.956 15.013 1.00 0.00 H new ATOM 0 HG23 ILE A 23 27.511 23.338 14.383 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.907 23.627 11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 23 26.199 24.030 12.982 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.609 23.333 11.397 1.00 0.00 H new ATOM 372 N GLU A 24 29.747 19.854 12.087 1.00 0.00 N ATOM 373 CA GLU A 24 30.948 19.079 12.362 1.00 0.00 C ATOM 374 C GLU A 24 32.147 19.700 11.645 1.00 0.00 C ATOM 375 O GLU A 24 33.167 20.000 12.265 1.00 0.00 O ATOM 376 CB GLU A 24 30.748 17.633 11.900 1.00 0.00 C ATOM 377 CG GLU A 24 31.916 16.773 12.385 1.00 0.00 C ATOM 378 CD GLU A 24 31.767 15.346 11.867 1.00 0.00 C ATOM 379 OE1 GLU A 24 31.114 14.560 12.534 1.00 0.00 O ATOM 380 OE2 GLU A 24 32.308 15.061 10.812 1.00 0.00 O ATOM 0 H GLU A 24 29.118 19.435 11.403 1.00 0.00 H new ATOM 0 HA GLU A 24 31.140 19.085 13.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 29.809 17.242 12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 24 30.681 17.594 10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 24 32.858 17.197 12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 24 31.948 16.771 13.475 1.00 0.00 H new ATOM 387 N ASN A 25 32.016 19.886 10.335 1.00 0.00 N ATOM 388 CA ASN A 25 33.087 20.469 9.542 1.00 0.00 C ATOM 389 C ASN A 25 33.479 21.839 10.093 1.00 0.00 C ATOM 390 O ASN A 25 34.662 22.171 10.181 1.00 0.00 O ATOM 391 CB ASN A 25 32.621 20.609 8.092 1.00 0.00 C ATOM 392 CG ASN A 25 32.649 19.255 7.392 1.00 0.00 C ATOM 393 OD1 ASN A 25 31.608 18.866 6.709 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 33.644 18.535 7.469 1.00 0.00 N flip ATOM 0 H ASN A 25 31.180 19.641 9.804 1.00 0.00 H new ATOM 0 HA ASN A 25 33.959 19.816 9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 25 31.611 21.018 8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.264 21.312 7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.456 18.843 8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.657 17.630 6.998 1.00 0.00 H new ATOM 401 N VAL A 26 32.480 22.636 10.456 1.00 0.00 N ATOM 402 CA VAL A 26 32.747 23.968 10.988 1.00 0.00 C ATOM 403 C VAL A 26 33.501 23.867 12.311 1.00 0.00 C ATOM 404 O VAL A 26 34.437 24.627 12.563 1.00 0.00 O ATOM 405 CB VAL A 26 31.439 24.741 11.177 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.752 26.149 11.677 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.702 24.835 9.837 1.00 0.00 C ATOM 0 H VAL A 26 31.492 22.389 10.393 1.00 0.00 H new ATOM 0 HA VAL A 26 33.367 24.509 10.274 1.00 0.00 H new ATOM 0 HB VAL A 26 30.813 24.223 11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.823 26.702 11.813 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.280 26.088 12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.377 26.664 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.771 25.385 9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.329 25.355 9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.481 23.832 9.472 1.00 0.00 H new ATOM 417 N LYS A 27 33.104 22.915 13.150 1.00 0.00 N ATOM 418 CA LYS A 27 33.776 22.725 14.429 1.00 0.00 C ATOM 419 C LYS A 27 35.223 22.348 14.168 1.00 0.00 C ATOM 420 O LYS A 27 36.134 22.770 14.879 1.00 0.00 O ATOM 421 CB LYS A 27 33.079 21.623 15.238 1.00 0.00 C ATOM 422 CG LYS A 27 31.839 22.198 15.930 1.00 0.00 C ATOM 423 CD LYS A 27 30.995 21.057 16.510 1.00 0.00 C ATOM 424 CE LYS A 27 30.029 21.614 17.558 1.00 0.00 C ATOM 425 NZ LYS A 27 29.207 20.504 18.118 1.00 0.00 N ATOM 0 H LYS A 27 32.332 22.273 12.971 1.00 0.00 H new ATOM 0 HA LYS A 27 33.734 23.649 15.006 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.793 20.802 14.581 1.00 0.00 H new ATOM 0 HB3 LYS A 27 33.765 21.214 15.980 1.00 0.00 H new ATOM 0 HG2 LYS A 27 32.138 22.882 16.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 31.248 22.775 15.218 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.438 20.562 15.714 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.643 20.305 16.961 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.586 22.106 18.355 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.383 22.368 17.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.551 20.883 18.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.665 20.053 17.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.831 19.800 18.562 1.00 0.00 H new ATOM 439 N ALA A 28 35.421 21.555 13.128 1.00 0.00 N ATOM 440 CA ALA A 28 36.750 21.121 12.744 1.00 0.00 C ATOM 441 C ALA A 28 37.634 22.333 12.452 1.00 0.00 C ATOM 442 O ALA A 28 38.814 22.350 12.796 1.00 0.00 O ATOM 443 CB ALA A 28 36.640 20.235 11.499 1.00 0.00 C ATOM 0 H ALA A 28 34.673 21.198 12.533 1.00 0.00 H new ATOM 0 HA ALA A 28 37.202 20.554 13.558 1.00 0.00 H new ATOM 0 HB1 ALA A 28 37.634 19.902 11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 28 36.019 19.368 11.723 1.00 0.00 H new ATOM 0 HB3 ALA A 28 36.188 20.804 10.686 1.00 0.00 H new ATOM 449 N LYS A 29 37.042 23.349 11.826 1.00 0.00 N ATOM 450 CA LYS A 29 37.782 24.569 11.505 1.00 0.00 C ATOM 451 C LYS A 29 38.187 25.278 12.797 1.00 0.00 C ATOM 452 O LYS A 29 39.308 25.778 12.932 1.00 0.00 O ATOM 453 CB LYS A 29 36.922 25.521 10.661 1.00 0.00 C ATOM 454 CG LYS A 29 36.583 24.878 9.313 1.00 0.00 C ATOM 455 CD LYS A 29 35.725 25.846 8.485 1.00 0.00 C ATOM 456 CE LYS A 29 35.460 25.240 7.106 1.00 0.00 C ATOM 457 NZ LYS A 29 36.727 25.214 6.325 1.00 0.00 N ATOM 0 H LYS A 29 36.065 23.353 11.534 1.00 0.00 H new ATOM 0 HA LYS A 29 38.669 24.293 10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.004 25.764 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.455 26.458 10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.498 24.634 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.046 23.942 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.782 26.041 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.235 26.804 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.064 24.230 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.707 25.825 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 36.508 25.132 5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.258 26.092 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 37.301 24.400 6.622 1.00 0.00 H new ATOM 471 N ILE A 30 37.264 25.294 13.751 1.00 0.00 N ATOM 472 CA ILE A 30 37.513 25.923 15.033 1.00 0.00 C ATOM 473 C ILE A 30 38.583 25.153 15.800 1.00 0.00 C ATOM 474 O ILE A 30 39.470 25.748 16.405 1.00 0.00 O ATOM 475 CB ILE A 30 36.207 25.980 15.829 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.263 26.993 15.170 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.496 26.414 17.266 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.868 26.889 15.793 1.00 0.00 C ATOM 0 H ILE A 30 36.338 24.877 13.657 1.00 0.00 H new ATOM 0 HA ILE A 30 37.877 26.938 14.877 1.00 0.00 H new ATOM 0 HB ILE A 30 35.743 24.994 15.840 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.653 28.003 15.297 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.207 26.806 14.098 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.563 26.453 17.829 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.172 25.698 17.733 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.959 27.401 17.262 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.203 27.612 15.320 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.476 25.883 15.643 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.930 27.098 16.861 1.00 0.00 H new ATOM 490 N GLN A 31 38.489 23.830 15.777 1.00 0.00 N ATOM 491 CA GLN A 31 39.459 23.000 16.480 1.00 0.00 C ATOM 492 C GLN A 31 40.860 23.219 15.919 1.00 0.00 C ATOM 493 O GLN A 31 41.818 23.398 16.666 1.00 0.00 O ATOM 494 CB GLN A 31 39.090 21.519 16.339 1.00 0.00 C ATOM 495 CG GLN A 31 40.106 20.662 17.108 1.00 0.00 C ATOM 496 CD GLN A 31 41.357 20.438 16.262 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.273 20.371 15.035 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.516 20.328 16.846 1.00 0.00 N ATOM 0 H GLN A 31 37.760 23.313 15.285 1.00 0.00 H new ATOM 0 HA GLN A 31 39.445 23.283 17.533 1.00 0.00 H new ATOM 0 HB2 GLN A 31 38.086 21.345 16.725 1.00 0.00 H new ATOM 0 HB3 GLN A 31 39.081 21.234 15.287 1.00 0.00 H new ATOM 0 HG2 GLN A 31 40.374 21.155 18.043 1.00 0.00 H new ATOM 0 HG3 GLN A 31 39.659 19.703 17.370 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.582 20.384 17.862 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.357 20.186 16.287 1.00 0.00 H new ATOM 507 N ASP A 32 40.970 23.174 14.601 1.00 0.00 N ATOM 508 CA ASP A 32 42.260 23.344 13.944 1.00 0.00 C ATOM 509 C ASP A 32 42.933 24.652 14.358 1.00 0.00 C ATOM 510 O ASP A 32 44.158 24.716 14.460 1.00 0.00 O ATOM 511 CB ASP A 32 42.077 23.318 12.425 1.00 0.00 C ATOM 512 CG ASP A 32 41.748 21.902 11.964 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.380 20.979 12.453 1.00 0.00 O ATOM 514 OD2 ASP A 32 40.869 21.760 11.130 1.00 0.00 O ATOM 0 H ASP A 32 40.187 23.022 13.966 1.00 0.00 H new ATOM 0 HA ASP A 32 42.903 22.520 14.253 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.277 23.999 12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.986 23.667 11.935 1.00 0.00 H new ATOM 519 N LYS A 33 42.141 25.705 14.569 1.00 0.00 N ATOM 520 CA LYS A 33 42.708 27.007 14.944 1.00 0.00 C ATOM 521 C LYS A 33 42.825 27.195 16.464 1.00 0.00 C ATOM 522 O LYS A 33 43.785 27.805 16.937 1.00 0.00 O ATOM 523 CB LYS A 33 41.844 28.131 14.366 1.00 0.00 C ATOM 524 CG LYS A 33 41.839 28.039 12.838 1.00 0.00 C ATOM 525 CD LYS A 33 41.234 29.316 12.249 1.00 0.00 C ATOM 526 CE LYS A 33 41.147 29.189 10.726 1.00 0.00 C ATOM 527 NZ LYS A 33 40.076 28.215 10.368 1.00 0.00 N ATOM 0 H LYS A 33 41.124 25.687 14.489 1.00 0.00 H new ATOM 0 HA LYS A 33 43.717 27.041 14.532 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.826 28.055 14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.231 29.100 14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.855 27.902 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.264 27.170 12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.242 29.487 12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.845 30.177 12.518 1.00 0.00 H new ATOM 0 HE2 LYS A 33 40.933 30.161 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.104 28.858 10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.817 28.336 9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.422 27.246 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.241 28.383 10.965 1.00 0.00 H new ATOM 541 N GLU A 34 41.842 26.713 17.230 1.00 0.00 N ATOM 542 CA GLU A 34 41.861 26.893 18.693 1.00 0.00 C ATOM 543 C GLU A 34 42.316 25.635 19.434 1.00 0.00 C ATOM 544 O GLU A 34 42.630 25.692 20.622 1.00 0.00 O ATOM 545 CB GLU A 34 40.465 27.293 19.182 1.00 0.00 C ATOM 546 CG GLU A 34 39.896 28.391 18.278 1.00 0.00 C ATOM 547 CD GLU A 34 40.869 29.563 18.196 1.00 0.00 C ATOM 548 OE1 GLU A 34 41.033 30.242 19.196 1.00 0.00 O ATOM 549 OE2 GLU A 34 41.435 29.764 17.134 1.00 0.00 O ATOM 0 H GLU A 34 41.034 26.203 16.874 1.00 0.00 H new ATOM 0 HA GLU A 34 42.583 27.681 18.910 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.805 26.426 19.176 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.517 27.647 20.212 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.711 27.992 17.281 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.937 28.732 18.667 1.00 0.00 H new ATOM 556 N GLY A 35 42.382 24.510 18.735 1.00 0.00 N ATOM 557 CA GLY A 35 42.835 23.263 19.349 1.00 0.00 C ATOM 558 C GLY A 35 41.946 22.823 20.516 1.00 0.00 C ATOM 559 O GLY A 35 42.340 21.964 21.307 1.00 0.00 O ATOM 0 H GLY A 35 42.130 24.432 17.750 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.853 22.477 18.594 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.858 23.388 19.704 1.00 0.00 H new ATOM 563 N ILE A 36 40.750 23.400 20.622 1.00 0.00 N ATOM 564 CA ILE A 36 39.828 23.043 21.695 1.00 0.00 C ATOM 565 C ILE A 36 38.945 21.853 21.271 1.00 0.00 C ATOM 566 O ILE A 36 38.181 21.972 20.311 1.00 0.00 O ATOM 567 CB ILE A 36 38.939 24.244 22.013 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.820 25.452 22.339 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.061 23.921 23.218 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.946 26.682 22.606 1.00 0.00 C ATOM 0 H ILE A 36 40.400 24.112 19.981 1.00 0.00 H new ATOM 0 HA ILE A 36 40.403 22.759 22.577 1.00 0.00 H new ATOM 0 HB ILE A 36 38.309 24.470 21.153 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.437 25.238 23.212 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.499 25.651 21.510 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.426 24.777 23.446 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.437 23.057 22.992 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.692 23.698 24.078 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.582 27.537 22.837 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.349 26.903 21.721 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.285 26.483 23.450 1.00 0.00 H new ATOM 582 N PRO A 37 39.020 20.715 21.943 1.00 0.00 N ATOM 583 CA PRO A 37 38.189 19.531 21.575 1.00 0.00 C ATOM 584 C PRO A 37 36.721 19.915 21.314 1.00 0.00 C ATOM 585 O PRO A 37 36.042 20.421 22.211 1.00 0.00 O ATOM 586 CB PRO A 37 38.313 18.612 22.799 1.00 0.00 C ATOM 587 CG PRO A 37 39.647 18.942 23.388 1.00 0.00 C ATOM 588 CD PRO A 37 39.890 20.425 23.099 1.00 0.00 C ATOM 0 HA PRO A 37 38.523 19.061 20.650 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.509 18.793 23.513 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.255 17.562 22.513 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.657 18.748 24.461 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.430 18.326 22.946 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.632 21.046 23.957 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.937 20.620 22.868 1.00 0.00 H new ATOM 596 N PRO A 38 36.212 19.666 20.128 1.00 0.00 N ATOM 597 CA PRO A 38 34.796 19.982 19.778 1.00 0.00 C ATOM 598 C PRO A 38 33.812 19.486 20.832 1.00 0.00 C ATOM 599 O PRO A 38 32.798 20.130 21.098 1.00 0.00 O ATOM 600 CB PRO A 38 34.592 19.253 18.446 1.00 0.00 C ATOM 601 CG PRO A 38 35.942 19.248 17.825 1.00 0.00 C ATOM 602 CD PRO A 38 36.927 19.087 18.975 1.00 0.00 C ATOM 0 HA PRO A 38 34.616 21.055 19.718 1.00 0.00 H new ATOM 0 HB2 PRO A 38 34.220 18.240 18.599 1.00 0.00 H new ATOM 0 HB3 PRO A 38 33.866 19.768 17.817 1.00 0.00 H new ATOM 0 HG2 PRO A 38 36.040 18.432 17.109 1.00 0.00 H new ATOM 0 HG3 PRO A 38 36.125 20.174 17.280 1.00 0.00 H new ATOM 0 HD2 PRO A 38 37.178 18.040 19.144 1.00 0.00 H new ATOM 0 HD3 PRO A 38 37.862 19.612 18.778 1.00 0.00 H new ATOM 610 N ASP A 39 34.115 18.341 21.430 1.00 0.00 N ATOM 611 CA ASP A 39 33.242 17.772 22.445 1.00 0.00 C ATOM 612 C ASP A 39 33.169 18.674 23.672 1.00 0.00 C ATOM 613 O ASP A 39 32.325 18.475 24.545 1.00 0.00 O ATOM 614 CB ASP A 39 33.751 16.388 22.857 1.00 0.00 C ATOM 615 CG ASP A 39 33.563 15.399 21.711 1.00 0.00 C ATOM 616 OD1 ASP A 39 32.779 15.693 20.824 1.00 0.00 O ATOM 617 OD2 ASP A 39 34.206 14.363 21.737 1.00 0.00 O ATOM 0 H ASP A 39 34.952 17.793 21.231 1.00 0.00 H new ATOM 0 HA ASP A 39 32.242 17.683 22.020 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.805 16.446 23.129 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.213 16.041 23.739 1.00 0.00 H new ATOM 622 N GLN A 40 34.062 19.661 23.743 1.00 0.00 N ATOM 623 CA GLN A 40 34.094 20.584 24.879 1.00 0.00 C ATOM 624 C GLN A 40 33.510 21.940 24.498 1.00 0.00 C ATOM 625 O GLN A 40 33.392 22.827 25.344 1.00 0.00 O ATOM 626 CB GLN A 40 35.542 20.783 25.337 1.00 0.00 C ATOM 627 CG GLN A 40 36.067 19.490 25.965 1.00 0.00 C ATOM 628 CD GLN A 40 37.574 19.591 26.181 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.152 20.668 26.038 1.00 0.00 O ATOM 630 NE2 GLN A 40 38.247 18.526 26.521 1.00 0.00 N ATOM 0 H GLN A 40 34.770 19.842 23.031 1.00 0.00 H new ATOM 0 HA GLN A 40 33.496 20.154 25.683 1.00 0.00 H new ATOM 0 HB2 GLN A 40 36.166 21.066 24.489 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.596 21.598 26.059 1.00 0.00 H new ATOM 0 HG2 GLN A 40 35.566 19.308 26.916 1.00 0.00 H new ATOM 0 HG3 GLN A 40 35.840 18.643 25.318 1.00 0.00 H new ATOM 0 HE21 GLN A 40 37.766 17.635 26.639 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.254 18.585 26.669 1.00 0.00 H new ATOM 639 N GLN A 41 33.172 22.109 23.217 1.00 0.00 N ATOM 640 CA GLN A 41 32.633 23.383 22.732 1.00 0.00 C ATOM 641 C GLN A 41 31.174 23.263 22.311 1.00 0.00 C ATOM 642 O GLN A 41 30.757 22.263 21.726 1.00 0.00 O ATOM 643 CB GLN A 41 33.453 23.860 21.533 1.00 0.00 C ATOM 644 CG GLN A 41 34.944 23.765 21.856 1.00 0.00 C ATOM 645 CD GLN A 41 35.744 24.525 20.805 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.144 23.951 19.793 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.002 25.792 20.985 1.00 0.00 N ATOM 0 H GLN A 41 33.261 21.387 22.502 1.00 0.00 H new ATOM 0 HA GLN A 41 32.693 24.098 23.553 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.222 23.253 20.658 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.190 24.889 21.286 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.139 24.179 22.845 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.255 22.721 21.880 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.669 26.266 21.825 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.536 26.308 20.286 1.00 0.00 H new ATOM 656 N ARG A 42 30.416 24.319 22.597 1.00 0.00 N ATOM 657 CA ARG A 42 28.998 24.394 22.243 1.00 0.00 C ATOM 658 C ARG A 42 28.763 25.691 21.474 1.00 0.00 C ATOM 659 O ARG A 42 29.229 26.752 21.890 1.00 0.00 O ATOM 660 CB ARG A 42 28.132 24.371 23.509 1.00 0.00 C ATOM 661 CG ARG A 42 28.328 23.034 24.266 1.00 0.00 C ATOM 662 CD ARG A 42 27.004 22.583 24.894 1.00 0.00 C ATOM 663 NE ARG A 42 26.475 23.622 25.774 1.00 0.00 N ATOM 664 CZ ARG A 42 25.219 23.579 26.214 1.00 0.00 C ATOM 665 NH1 ARG A 42 24.768 24.524 26.994 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.438 22.593 25.867 1.00 0.00 N ATOM 0 H ARG A 42 30.766 25.147 23.080 1.00 0.00 H new ATOM 0 HA ARG A 42 28.724 23.537 21.627 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.399 25.206 24.156 1.00 0.00 H new ATOM 0 HB3 ARG A 42 27.082 24.496 23.243 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.693 22.269 23.580 1.00 0.00 H new ATOM 0 HG3 ARG A 42 29.085 23.154 25.041 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.281 22.359 24.110 1.00 0.00 H new ATOM 0 HD3 ARG A 42 27.157 21.663 25.459 1.00 0.00 H new ATOM 0 HE ARG A 42 27.079 24.394 26.056 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.378 25.295 27.266 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.806 24.491 27.331 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.789 21.854 25.258 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.476 22.561 26.205 1.00 0.00 H new ATOM 680 N LEU A 43 28.061 25.611 20.342 1.00 0.00 N ATOM 681 CA LEU A 43 27.805 26.800 19.519 1.00 0.00 C ATOM 682 C LEU A 43 26.343 27.223 19.621 1.00 0.00 C ATOM 683 O LEU A 43 25.439 26.444 19.311 1.00 0.00 O ATOM 684 CB LEU A 43 28.151 26.494 18.056 1.00 0.00 C ATOM 685 CG LEU A 43 29.510 25.784 17.974 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.874 25.552 16.504 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.591 26.649 18.633 1.00 0.00 C ATOM 0 H LEU A 43 27.662 24.747 19.975 1.00 0.00 H new ATOM 0 HA LEU A 43 28.428 27.617 19.883 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.377 25.867 17.614 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.179 27.419 17.480 1.00 0.00 H new ATOM 0 HG LEU A 43 29.447 24.828 18.494 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.839 25.048 16.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.111 24.932 16.034 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.932 26.510 15.988 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.553 26.139 18.571 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.655 27.607 18.118 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.335 26.816 19.679 1.00 0.00 H new ATOM 699 N ILE A 44 26.111 28.468 20.054 1.00 0.00 N ATOM 700 CA ILE A 44 24.749 28.996 20.198 1.00 0.00 C ATOM 701 C ILE A 44 24.486 30.134 19.211 1.00 0.00 C ATOM 702 O ILE A 44 25.276 31.080 19.087 1.00 0.00 O ATOM 703 CB ILE A 44 24.540 29.498 21.629 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.974 28.401 22.613 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.061 29.837 21.847 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.212 27.099 22.327 1.00 0.00 C ATOM 0 H ILE A 44 26.846 29.127 20.310 1.00 0.00 H new ATOM 0 HA ILE A 44 24.048 28.190 19.982 1.00 0.00 H new ATOM 0 HB ILE A 44 25.136 30.395 21.795 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.047 28.229 22.527 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.784 28.725 23.636 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.916 30.194 22.867 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.758 30.613 21.144 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.456 28.945 21.685 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.529 26.330 23.031 1.00 0.00 H new ATOM 0 HD12 ILE A 44 23.141 27.272 22.436 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.424 26.769 21.310 1.00 0.00 H new ATOM 718 N PHE A 45 23.349 30.038 18.521 1.00 0.00 N ATOM 719 CA PHE A 45 22.928 31.044 17.542 1.00 0.00 C ATOM 720 C PHE A 45 21.424 31.260 17.680 1.00 0.00 C ATOM 721 O PHE A 45 20.664 30.296 17.751 1.00 0.00 O ATOM 722 CB PHE A 45 23.234 30.556 16.123 1.00 0.00 C ATOM 723 CG PHE A 45 22.736 31.563 15.107 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.485 32.715 14.835 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.525 31.342 14.434 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.028 33.641 13.889 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.069 32.270 13.489 1.00 0.00 C ATOM 728 CZ PHE A 45 21.819 33.420 13.218 1.00 0.00 C ATOM 0 H PHE A 45 22.694 29.263 18.624 1.00 0.00 H new ATOM 0 HA PHE A 45 23.466 31.975 17.723 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.307 30.409 16.004 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.759 29.590 15.952 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.415 32.889 15.355 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.944 30.456 14.645 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.609 34.527 13.677 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.138 32.098 12.969 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.465 34.137 12.492 1.00 0.00 H new ATOM 738 N ALA A 46 20.986 32.512 17.733 1.00 0.00 N ATOM 739 CA ALA A 46 19.561 32.780 17.883 1.00 0.00 C ATOM 740 C ALA A 46 19.024 31.974 19.063 1.00 0.00 C ATOM 741 O ALA A 46 17.911 31.445 19.027 1.00 0.00 O ATOM 742 CB ALA A 46 18.814 32.404 16.601 1.00 0.00 C ATOM 0 H ALA A 46 21.580 33.339 17.676 1.00 0.00 H new ATOM 0 HA ALA A 46 19.408 33.843 18.069 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.751 32.609 16.726 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.201 32.991 15.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.957 31.343 16.394 1.00 0.00 H new ATOM 748 N GLY A 47 19.838 31.912 20.112 1.00 0.00 N ATOM 749 CA GLY A 47 19.488 31.206 21.340 1.00 0.00 C ATOM 750 C GLY A 47 19.335 29.694 21.150 1.00 0.00 C ATOM 751 O GLY A 47 18.861 29.011 22.057 1.00 0.00 O ATOM 0 H GLY A 47 20.759 32.350 20.135 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.256 31.395 22.090 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.555 31.612 21.730 1.00 0.00 H new ATOM 755 N LYS A 48 19.726 29.163 19.985 1.00 0.00 N ATOM 756 CA LYS A 48 19.605 27.712 19.733 1.00 0.00 C ATOM 757 C LYS A 48 20.964 27.063 19.491 1.00 0.00 C ATOM 758 O LYS A 48 21.827 27.622 18.813 1.00 0.00 O ATOM 759 CB LYS A 48 18.725 27.448 18.511 1.00 0.00 C ATOM 760 CG LYS A 48 17.325 28.014 18.738 1.00 0.00 C ATOM 761 CD LYS A 48 16.463 27.696 17.515 1.00 0.00 C ATOM 762 CE LYS A 48 15.116 28.408 17.629 1.00 0.00 C ATOM 763 NZ LYS A 48 14.345 27.835 18.767 1.00 0.00 N ATOM 0 H LYS A 48 20.122 29.699 19.213 1.00 0.00 H new ATOM 0 HA LYS A 48 19.155 27.277 20.625 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.171 27.904 17.627 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.666 26.376 18.321 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.883 27.580 19.635 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.374 29.091 18.896 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.975 28.012 16.606 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.310 26.620 17.437 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.269 29.476 17.781 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.554 28.296 16.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.361 28.169 18.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.361 26.797 18.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.774 28.139 19.665 1.00 0.00 H new ATOM 777 N GLN A 49 21.131 25.860 20.040 1.00 0.00 N ATOM 778 CA GLN A 49 22.362 25.105 19.880 1.00 0.00 C ATOM 779 C GLN A 49 22.341 24.348 18.554 1.00 0.00 C ATOM 780 O GLN A 49 21.343 23.715 18.211 1.00 0.00 O ATOM 781 CB GLN A 49 22.508 24.112 21.037 1.00 0.00 C ATOM 782 CG GLN A 49 23.910 23.501 21.024 1.00 0.00 C ATOM 783 CD GLN A 49 23.973 22.318 21.986 1.00 0.00 C ATOM 784 OE1 GLN A 49 23.815 22.520 23.266 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 24.172 21.180 21.560 1.00 0.00 N flip ATOM 0 H GLN A 49 20.421 25.390 20.602 1.00 0.00 H new ATOM 0 HA GLN A 49 23.207 25.794 19.883 1.00 0.00 H new ATOM 0 HB2 GLN A 49 22.331 24.618 21.986 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.758 23.326 20.950 1.00 0.00 H new ATOM 0 HG2 GLN A 49 24.164 23.174 20.016 1.00 0.00 H new ATOM 0 HG3 GLN A 49 24.646 24.253 21.310 1.00 0.00 H new ATOM 0 HE21 GLN A 49 24.295 21.024 20.560 1.00 0.00 H new ATOM 0 HE22 GLN A 49 24.214 20.393 22.208 1.00 0.00 H new ATOM 794 N LEU A 50 23.438 24.421 17.809 1.00 0.00 N ATOM 795 CA LEU A 50 23.516 23.738 16.518 1.00 0.00 C ATOM 796 C LEU A 50 23.723 22.235 16.708 1.00 0.00 C ATOM 797 O LEU A 50 24.590 21.805 17.471 1.00 0.00 O ATOM 798 CB LEU A 50 24.655 24.324 15.685 1.00 0.00 C ATOM 799 CG LEU A 50 24.613 25.853 15.769 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.686 26.446 14.853 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.232 26.358 15.331 1.00 0.00 C ATOM 0 H LEU A 50 24.277 24.939 18.070 1.00 0.00 H new ATOM 0 HA LEU A 50 22.573 23.889 15.992 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.614 23.955 16.049 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.564 24.003 14.647 1.00 0.00 H new ATOM 0 HG LEU A 50 24.801 26.161 16.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.655 27.534 14.913 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.668 26.093 15.167 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.500 26.134 13.825 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.206 27.446 15.392 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.040 26.048 14.304 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.467 25.940 15.985 1.00 0.00 H new ATOM 813 N GLU A 51 22.898 21.443 16.020 1.00 0.00 N ATOM 814 CA GLU A 51 22.965 19.983 16.122 1.00 0.00 C ATOM 815 C GLU A 51 23.919 19.388 15.092 1.00 0.00 C ATOM 816 O GLU A 51 24.008 19.845 13.950 1.00 0.00 O ATOM 817 CB GLU A 51 21.563 19.385 15.917 1.00 0.00 C ATOM 818 CG GLU A 51 20.772 19.463 17.225 1.00 0.00 C ATOM 819 CD GLU A 51 19.366 18.908 17.021 1.00 0.00 C ATOM 820 OE1 GLU A 51 19.191 18.106 16.118 1.00 0.00 O ATOM 821 OE2 GLU A 51 18.483 19.293 17.771 1.00 0.00 O ATOM 0 H GLU A 51 22.176 21.787 15.387 1.00 0.00 H new ATOM 0 HA GLU A 51 23.340 19.737 17.115 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.038 19.927 15.130 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.644 18.348 15.591 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.285 18.898 18.003 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.717 20.497 17.565 1.00 0.00 H new ATOM 828 N ASP A 52 24.616 18.342 15.512 1.00 0.00 N ATOM 829 CA ASP A 52 25.552 17.660 14.642 1.00 0.00 C ATOM 830 C ASP A 52 24.820 16.980 13.487 1.00 0.00 C ATOM 831 O ASP A 52 23.730 16.437 13.665 1.00 0.00 O ATOM 832 CB ASP A 52 26.333 16.615 15.441 1.00 0.00 C ATOM 833 CG ASP A 52 27.203 17.303 16.488 1.00 0.00 C ATOM 834 OD1 ASP A 52 26.656 18.038 17.294 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.403 17.085 16.468 1.00 0.00 O ATOM 0 H ASP A 52 24.548 17.950 16.451 1.00 0.00 H new ATOM 0 HA ASP A 52 26.242 18.397 14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 52 25.642 15.925 15.926 1.00 0.00 H new ATOM 0 HB3 ASP A 52 26.956 16.023 14.770 1.00 0.00 H new ATOM 840 N GLY A 53 25.432 17.005 12.304 1.00 0.00 N ATOM 841 CA GLY A 53 24.838 16.378 11.123 1.00 0.00 C ATOM 842 C GLY A 53 23.980 17.361 10.327 1.00 0.00 C ATOM 843 O GLY A 53 23.582 17.066 9.199 1.00 0.00 O ATOM 0 H GLY A 53 26.334 17.450 12.137 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.629 15.986 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.227 15.529 11.431 1.00 0.00 H new ATOM 847 N ARG A 54 23.705 18.538 10.899 1.00 0.00 N ATOM 848 CA ARG A 54 22.901 19.545 10.195 1.00 0.00 C ATOM 849 C ARG A 54 23.803 20.521 9.439 1.00 0.00 C ATOM 850 O ARG A 54 24.959 20.729 9.808 1.00 0.00 O ATOM 851 CB ARG A 54 22.035 20.319 11.190 1.00 0.00 C ATOM 852 CG ARG A 54 21.033 19.367 11.846 1.00 0.00 C ATOM 853 CD ARG A 54 19.974 20.178 12.597 1.00 0.00 C ATOM 854 NE ARG A 54 19.001 20.729 11.660 1.00 0.00 N ATOM 855 CZ ARG A 54 17.888 21.312 12.093 1.00 0.00 C ATOM 856 NH1 ARG A 54 17.013 21.766 11.238 1.00 0.00 N ATOM 857 NH2 ARG A 54 17.676 21.438 13.374 1.00 0.00 N ATOM 0 H ARG A 54 24.020 18.815 11.829 1.00 0.00 H new ATOM 0 HA ARG A 54 22.259 19.030 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.663 20.783 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.507 21.124 10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.559 18.743 11.089 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.549 18.697 12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.469 19.544 13.325 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.451 20.985 13.153 1.00 0.00 H new ATOM 0 HE ARG A 54 19.178 20.666 10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.183 21.674 10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.159 22.213 11.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.364 21.089 14.042 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.822 21.885 13.708 1.00 0.00 H new ATOM 871 N THR A 55 23.260 21.128 8.382 1.00 0.00 N ATOM 872 CA THR A 55 24.012 22.096 7.576 1.00 0.00 C ATOM 873 C THR A 55 23.653 23.514 8.005 1.00 0.00 C ATOM 874 O THR A 55 22.597 23.735 8.591 1.00 0.00 O ATOM 875 CB THR A 55 23.668 21.913 6.094 1.00 0.00 C ATOM 876 OG1 THR A 55 22.258 21.800 5.949 1.00 0.00 O ATOM 877 CG2 THR A 55 24.341 20.646 5.559 1.00 0.00 C ATOM 0 H THR A 55 22.304 20.968 8.063 1.00 0.00 H new ATOM 0 HA THR A 55 25.079 21.930 7.726 1.00 0.00 H new ATOM 0 HB THR A 55 24.026 22.774 5.530 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.817 22.471 6.510 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.094 20.520 4.505 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.422 20.733 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 55 23.987 19.781 6.121 1.00 0.00 H new ATOM 885 N LEU A 56 24.522 24.479 7.714 1.00 0.00 N ATOM 886 CA LEU A 56 24.237 25.859 8.096 1.00 0.00 C ATOM 887 C LEU A 56 22.902 26.302 7.489 1.00 0.00 C ATOM 888 O LEU A 56 22.127 26.995 8.146 1.00 0.00 O ATOM 889 CB LEU A 56 25.383 26.805 7.653 1.00 0.00 C ATOM 890 CG LEU A 56 26.403 26.999 8.794 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.146 25.685 9.056 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.409 28.091 8.402 1.00 0.00 C ATOM 0 H LEU A 56 25.407 24.337 7.228 1.00 0.00 H new ATOM 0 HA LEU A 56 24.165 25.912 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.884 26.392 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.971 27.770 7.359 1.00 0.00 H new ATOM 0 HG LEU A 56 25.876 27.298 9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.865 25.828 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.431 24.913 9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.672 25.378 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.130 28.228 9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.933 27.794 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.879 29.027 8.226 1.00 0.00 H new ATOM 904 N SER A 57 22.639 25.915 6.237 1.00 0.00 N ATOM 905 CA SER A 57 21.392 26.304 5.582 1.00 0.00 C ATOM 906 C SER A 57 20.206 26.020 6.490 1.00 0.00 C ATOM 907 O SER A 57 19.218 26.756 6.484 1.00 0.00 O ATOM 908 CB SER A 57 21.214 25.541 4.267 1.00 0.00 C ATOM 909 OG SER A 57 19.999 25.951 3.648 1.00 0.00 O ATOM 0 H SER A 57 23.262 25.343 5.667 1.00 0.00 H new ATOM 0 HA SER A 57 21.440 27.373 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.057 25.734 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.196 24.468 4.455 1.00 0.00 H new ATOM 0 HG SER A 57 19.882 25.466 2.805 1.00 0.00 H new ATOM 915 N ASP A 58 20.310 24.956 7.277 1.00 0.00 N ATOM 916 CA ASP A 58 19.239 24.599 8.193 1.00 0.00 C ATOM 917 C ASP A 58 18.943 25.784 9.100 1.00 0.00 C ATOM 918 O ASP A 58 17.787 26.141 9.330 1.00 0.00 O ATOM 919 CB ASP A 58 19.654 23.390 9.040 1.00 0.00 C ATOM 920 CG ASP A 58 20.017 22.213 8.138 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.035 22.397 6.932 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.272 21.143 8.666 1.00 0.00 O ATOM 0 H ASP A 58 21.117 24.332 7.298 1.00 0.00 H new ATOM 0 HA ASP A 58 18.346 24.340 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.505 23.652 9.668 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.840 23.108 9.708 1.00 0.00 H new ATOM 927 N TYR A 59 20.015 26.397 9.596 1.00 0.00 N ATOM 928 CA TYR A 59 19.921 27.562 10.472 1.00 0.00 C ATOM 929 C TYR A 59 20.209 28.835 9.681 1.00 0.00 C ATOM 930 O TYR A 59 21.358 29.082 9.349 1.00 0.00 O ATOM 931 CB TYR A 59 20.965 27.431 11.585 1.00 0.00 C ATOM 932 CG TYR A 59 20.691 26.193 12.406 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.417 25.016 12.171 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.716 26.224 13.406 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.162 23.872 12.939 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.461 25.081 14.173 1.00 0.00 C ATOM 937 CZ TYR A 59 20.184 23.905 13.940 1.00 0.00 C ATOM 938 OH TYR A 59 19.933 22.779 14.698 1.00 0.00 O ATOM 0 H TYR A 59 20.972 26.101 9.402 1.00 0.00 H new ATOM 0 HA TYR A 59 18.917 27.615 10.892 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.964 27.377 11.153 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.941 28.314 12.224 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.172 24.992 11.399 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.158 27.131 13.588 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.720 22.965 12.759 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.706 25.106 14.945 1.00 0.00 H new ATOM 0 HH TYR A 59 19.226 22.973 15.348 1.00 0.00 H new ATOM 948 N ASN A 60 19.158 29.591 9.331 1.00 0.00 N ATOM 949 CA ASN A 60 19.299 30.819 8.521 1.00 0.00 C ATOM 950 C ASN A 60 20.410 31.768 9.015 1.00 0.00 C ATOM 951 O ASN A 60 20.143 32.906 9.401 1.00 0.00 O ATOM 952 CB ASN A 60 17.967 31.578 8.480 1.00 0.00 C ATOM 953 CG ASN A 60 17.509 31.924 9.894 1.00 0.00 C ATOM 954 OD1 ASN A 60 18.336 32.102 10.787 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.233 32.034 10.151 1.00 0.00 N ATOM 0 H ASN A 60 18.197 29.376 9.595 1.00 0.00 H new ATOM 0 HA ASN A 60 19.588 30.488 7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.079 32.490 7.894 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.210 30.971 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.921 32.268 11.093 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.549 31.886 9.409 1.00 0.00 H new ATOM 962 N ILE A 61 21.650 31.285 8.971 1.00 0.00 N ATOM 963 CA ILE A 61 22.823 32.063 9.372 1.00 0.00 C ATOM 964 C ILE A 61 23.482 32.637 8.118 1.00 0.00 C ATOM 965 O ILE A 61 24.150 31.911 7.386 1.00 0.00 O ATOM 966 CB ILE A 61 23.829 31.148 10.083 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.228 30.615 11.386 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.111 31.928 10.394 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.145 29.524 11.948 1.00 0.00 C ATOM 0 H ILE A 61 21.871 30.341 8.656 1.00 0.00 H new ATOM 0 HA ILE A 61 22.519 32.865 10.045 1.00 0.00 H new ATOM 0 HB ILE A 61 24.064 30.309 9.428 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.118 31.424 12.109 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.231 30.213 11.204 1.00 0.00 H new ATOM 0 HG21 ILE A 61 25.822 31.274 10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 61 25.550 32.292 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 61 24.875 32.774 11.040 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.725 29.138 12.877 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.232 28.713 11.225 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.132 29.943 12.143 1.00 0.00 H new ATOM 981 N GLN A 62 23.276 33.926 7.847 1.00 0.00 N ATOM 982 CA GLN A 62 23.851 34.536 6.643 1.00 0.00 C ATOM 983 C GLN A 62 25.275 35.029 6.869 1.00 0.00 C ATOM 984 O GLN A 62 25.813 34.952 7.973 1.00 0.00 O ATOM 985 CB GLN A 62 22.986 35.700 6.167 1.00 0.00 C ATOM 986 CG GLN A 62 21.588 35.188 5.822 1.00 0.00 C ATOM 987 CD GLN A 62 20.861 34.765 7.091 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.940 35.514 8.155 1.00 0.00 O flip ATOM 989 NE2 GLN A 62 20.206 33.723 7.114 1.00 0.00 N flip ATOM 0 H GLN A 62 22.728 34.559 8.430 1.00 0.00 H new ATOM 0 HA GLN A 62 23.879 33.758 5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.924 36.462 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 62 23.439 36.170 5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.022 35.967 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.660 34.344 5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.146 33.140 6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.723 33.443 7.968 1.00 0.00 H new ATOM 998 N LYS A 63 25.880 35.511 5.786 1.00 0.00 N ATOM 999 CA LYS A 63 27.254 35.994 5.835 1.00 0.00 C ATOM 1000 C LYS A 63 27.413 37.171 6.790 1.00 0.00 C ATOM 1001 O LYS A 63 26.508 37.988 6.962 1.00 0.00 O ATOM 1002 CB LYS A 63 27.743 36.377 4.430 1.00 0.00 C ATOM 1003 CG LYS A 63 27.053 37.651 3.924 1.00 0.00 C ATOM 1004 CD LYS A 63 27.198 37.724 2.396 1.00 0.00 C ATOM 1005 CE LYS A 63 28.673 37.562 2.003 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.517 38.436 2.864 1.00 0.00 N ATOM 0 H LYS A 63 25.441 35.577 4.868 1.00 0.00 H new ATOM 0 HA LYS A 63 27.869 35.178 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 63 28.822 36.529 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.548 35.557 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.999 37.645 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.500 38.531 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.600 36.942 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.818 38.678 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.977 36.521 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.812 37.824 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.289 38.841 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.935 39.204 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.917 37.874 3.642 1.00 0.00 H new ATOM 1020 N GLU A 64 28.594 37.238 7.395 1.00 0.00 N ATOM 1021 CA GLU A 64 28.935 38.300 8.334 1.00 0.00 C ATOM 1022 C GLU A 64 27.955 38.375 9.504 1.00 0.00 C ATOM 1023 O GLU A 64 27.220 39.351 9.652 1.00 0.00 O ATOM 1024 CB GLU A 64 28.992 39.640 7.600 1.00 0.00 C ATOM 1025 CG GLU A 64 30.069 39.561 6.515 1.00 0.00 C ATOM 1026 CD GLU A 64 30.142 40.872 5.742 1.00 0.00 C ATOM 1027 OE1 GLU A 64 29.386 41.772 6.066 1.00 0.00 O ATOM 1028 OE2 GLU A 64 30.955 40.957 4.836 1.00 0.00 O ATOM 0 H GLU A 64 29.341 36.559 7.248 1.00 0.00 H new ATOM 0 HA GLU A 64 29.915 38.070 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 64 28.024 39.868 7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 64 29.219 40.444 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 64 31.036 39.345 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 64 29.847 38.741 5.832 1.00 0.00 H new ATOM 1049 N THR A 66 27.567 37.229 13.964 1.00 0.00 N ATOM 1050 CA THR A 66 28.353 36.887 15.155 1.00 0.00 C ATOM 1051 C THR A 66 27.810 35.620 15.812 1.00 0.00 C ATOM 1052 O THR A 66 26.632 35.546 16.169 1.00 0.00 O ATOM 1053 CB THR A 66 28.318 38.039 16.160 1.00 0.00 C ATOM 1054 OG1 THR A 66 28.826 39.213 15.542 1.00 0.00 O ATOM 1055 CG2 THR A 66 29.183 37.681 17.372 1.00 0.00 C ATOM 0 HA THR A 66 29.383 36.710 14.844 1.00 0.00 H new ATOM 0 HB THR A 66 27.293 38.213 16.486 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.674 39.166 14.575 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.160 38.501 18.090 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.796 36.776 17.841 1.00 0.00 H new ATOM 0 HG23 THR A 66 30.210 37.511 17.049 1.00 0.00 H new ATOM 1063 N LEU A 67 28.685 34.625 15.974 1.00 0.00 N ATOM 1064 CA LEU A 67 28.308 33.353 16.595 1.00 0.00 C ATOM 1065 C LEU A 67 28.814 33.313 18.034 1.00 0.00 C ATOM 1066 O LEU A 67 29.875 33.863 18.332 1.00 0.00 O ATOM 1067 CB LEU A 67 28.916 32.189 15.796 1.00 0.00 C ATOM 1068 CG LEU A 67 28.394 30.844 16.329 1.00 0.00 C ATOM 1069 CD1 LEU A 67 26.872 30.736 16.098 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.117 29.694 15.601 1.00 0.00 C ATOM 0 H LEU A 67 29.661 34.676 15.683 1.00 0.00 H new ATOM 0 HA LEU A 67 27.222 33.259 16.596 1.00 0.00 H new ATOM 0 HB2 LEU A 67 28.663 32.292 14.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.003 32.219 15.868 1.00 0.00 H new ATOM 0 HG LEU A 67 28.590 30.780 17.399 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.513 29.780 16.479 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.366 31.548 16.621 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.660 30.804 15.031 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.750 28.738 15.976 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.924 29.762 14.530 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.190 29.767 15.781 1.00 0.00 H new ATOM 1082 N HIS A 68 28.068 32.661 18.933 1.00 0.00 N ATOM 1083 CA HIS A 68 28.486 32.575 20.331 1.00 0.00 C ATOM 1084 C HIS A 68 29.172 31.233 20.597 1.00 0.00 C ATOM 1085 O HIS A 68 28.586 30.174 20.365 1.00 0.00 O ATOM 1086 CB HIS A 68 27.267 32.717 21.246 1.00 0.00 C ATOM 1087 CG HIS A 68 26.804 34.150 21.251 1.00 0.00 C ATOM 1088 ND1 HIS A 68 26.011 34.676 20.242 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.019 35.180 22.133 1.00 0.00 C ATOM 1090 CE1 HIS A 68 25.779 35.968 20.540 1.00 0.00 C ATOM 1091 NE2 HIS A 68 26.370 36.326 21.683 1.00 0.00 N ATOM 0 H HIS A 68 27.187 32.193 18.720 1.00 0.00 H new ATOM 0 HA HIS A 68 29.191 33.381 20.536 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.463 32.066 20.902 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.521 32.403 22.258 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.603 35.111 23.039 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.187 36.634 19.929 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.350 37.243 22.130 1.00 0.00 H new ATOM 1100 N LEU A 69 30.416 31.274 21.089 1.00 0.00 N ATOM 1101 CA LEU A 69 31.164 30.072 21.386 1.00 0.00 C ATOM 1102 C LEU A 69 31.282 29.923 22.887 1.00 0.00 C ATOM 1103 O LEU A 69 31.896 30.745 23.567 1.00 0.00 O ATOM 1104 CB LEU A 69 32.556 30.158 20.751 1.00 0.00 C ATOM 1105 CG LEU A 69 33.357 28.858 21.029 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.152 28.463 19.779 1.00 0.00 C ATOM 1107 CD2 LEU A 69 34.331 29.077 22.201 1.00 0.00 C ATOM 0 H LEU A 69 30.919 32.139 21.287 1.00 0.00 H new ATOM 0 HA LEU A 69 30.647 29.204 20.976 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.464 30.313 19.676 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.094 31.017 21.152 1.00 0.00 H new ATOM 0 HG LEU A 69 32.657 28.063 21.286 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.713 27.550 19.978 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.465 28.293 18.950 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.844 29.264 19.519 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.888 28.159 22.388 1.00 0.00 H new ATOM 0 HD22 LEU A 69 35.026 29.879 21.951 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.769 29.349 23.095 1.00 0.00 H new ATOM 1119 N VAL A 70 30.674 28.870 23.389 1.00 0.00 N ATOM 1120 CA VAL A 70 30.681 28.574 24.819 1.00 0.00 C ATOM 1121 C VAL A 70 31.408 27.260 25.066 1.00 0.00 C ATOM 1122 O VAL A 70 31.331 26.335 24.257 1.00 0.00 O ATOM 1123 CB VAL A 70 29.244 28.480 25.332 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.251 28.264 26.845 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.506 29.782 25.007 1.00 0.00 C ATOM 0 H VAL A 70 30.160 28.192 22.826 1.00 0.00 H new ATOM 0 HA VAL A 70 31.198 29.373 25.351 1.00 0.00 H new ATOM 0 HB VAL A 70 28.740 27.642 24.851 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.225 28.197 27.208 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.779 27.339 27.078 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.754 29.101 27.330 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.480 29.720 25.371 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.012 30.618 25.490 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.499 29.937 23.928 1.00 0.00 H new