USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 60 ASN : amide:sc= 0.341 K(o=0.74,f=-0.88) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.399 K(o=0.74,f=-0.29) USER MOD Set 2.1: A 55 THR OG1 : rot -76:sc= 2.19 USER MOD Set 2.2: A 57 SER OG : rot -33:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.2 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0914 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.46 (180deg=1.26) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.22) USER MOD Single : A 40 GLN : amide:sc= -0.607 X(o=-0.61,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 1.69 K(o=1.7,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.882 K(o=0.88,f=-3.2!) USER MOD Single : A 59 TYR OH : rot -50:sc= 0.156 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.833 51.903 19.602 1.00 0.00 N ATOM 2 CA MET A 1 33.164 52.311 20.976 1.00 0.00 C ATOM 3 C MET A 1 34.650 52.664 21.084 1.00 0.00 C ATOM 4 O MET A 1 35.451 52.101 20.342 1.00 0.00 O ATOM 5 CB MET A 1 32.772 51.254 22.004 1.00 0.00 C ATOM 6 CG MET A 1 33.537 49.939 21.891 1.00 0.00 C ATOM 7 SD MET A 1 33.086 48.702 23.132 1.00 0.00 S ATOM 8 CE MET A 1 34.255 47.384 22.715 1.00 0.00 C ATOM 0 H1 MET A 1 31.848 51.570 19.566 1.00 0.00 H new ATOM 0 H2 MET A 1 32.947 52.715 18.962 1.00 0.00 H new ATOM 0 H3 MET A 1 33.469 51.136 19.305 1.00 0.00 H new ATOM 0 HA MET A 1 32.577 53.200 21.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.926 51.663 23.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.706 51.048 21.905 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.369 49.519 20.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.604 50.145 21.973 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.109 46.541 23.390 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.086 47.060 21.688 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.274 47.757 22.815 1.00 0.00 H new ATOM 20 N GLN A 2 35.030 53.515 22.032 1.00 0.00 N ATOM 21 CA GLN A 2 36.419 53.780 22.346 1.00 0.00 C ATOM 22 C GLN A 2 36.891 53.028 23.592 1.00 0.00 C ATOM 23 O GLN A 2 36.135 52.863 24.548 1.00 0.00 O ATOM 24 CB GLN A 2 36.696 55.278 22.424 1.00 0.00 C ATOM 25 CG GLN A 2 38.157 55.604 22.128 1.00 0.00 C ATOM 26 CD GLN A 2 38.526 57.059 22.429 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.695 57.898 21.547 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.701 57.401 23.702 1.00 0.00 N ATOM 0 H GLN A 2 34.372 54.042 22.606 1.00 0.00 H new ATOM 0 HA GLN A 2 37.015 53.389 21.521 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.056 55.803 21.714 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.437 55.644 23.418 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.795 54.945 22.717 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.364 55.394 21.079 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.563 56.710 24.439 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.974 58.354 23.941 1.00 0.00 H new ATOM 37 N ILE A 3 38.147 52.593 23.584 1.00 0.00 N ATOM 38 CA ILE A 3 38.872 52.001 24.690 1.00 0.00 C ATOM 39 C ILE A 3 40.255 52.639 24.832 1.00 0.00 C ATOM 40 O ILE A 3 40.696 53.378 23.954 1.00 0.00 O ATOM 41 CB ILE A 3 38.957 50.485 24.540 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.656 50.065 23.250 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.578 49.847 24.673 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.027 48.586 23.186 1.00 0.00 C ATOM 0 H ILE A 3 38.720 52.652 22.742 1.00 0.00 H new ATOM 0 HA ILE A 3 38.322 52.202 25.610 1.00 0.00 H new ATOM 0 HB ILE A 3 39.577 50.114 25.356 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.007 50.301 22.406 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.562 50.660 23.132 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.665 48.766 24.562 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.163 50.079 25.654 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.919 50.239 23.898 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.519 48.375 22.236 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.703 48.345 24.006 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.124 47.981 23.269 1.00 0.00 H new ATOM 56 N PHE A 4 40.974 52.324 25.905 1.00 0.00 N ATOM 57 CA PHE A 4 42.345 52.737 26.135 1.00 0.00 C ATOM 58 C PHE A 4 43.315 51.554 26.124 1.00 0.00 C ATOM 59 O PHE A 4 42.930 50.421 26.402 1.00 0.00 O ATOM 60 CB PHE A 4 42.469 53.477 27.463 1.00 0.00 C ATOM 61 CG PHE A 4 41.491 54.599 27.717 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.729 55.877 27.198 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.378 54.385 28.538 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.855 56.930 27.493 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.510 55.438 28.850 1.00 0.00 C ATOM 66 CZ PHE A 4 39.750 56.715 28.326 1.00 0.00 C ATOM 0 H PHE A 4 40.600 51.753 26.663 1.00 0.00 H new ATOM 0 HA PHE A 4 42.613 53.403 25.315 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.365 52.749 28.267 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.477 53.885 27.530 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.589 56.051 26.568 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.187 53.399 28.934 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.033 57.911 27.077 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.659 55.267 29.492 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.084 57.532 28.564 1.00 0.00 H new ATOM 76 N VAL A 5 44.595 51.818 25.876 1.00 0.00 N ATOM 77 CA VAL A 5 45.683 50.879 26.060 1.00 0.00 C ATOM 78 C VAL A 5 46.847 51.572 26.771 1.00 0.00 C ATOM 79 O VAL A 5 47.197 52.688 26.396 1.00 0.00 O ATOM 80 CB VAL A 5 46.146 50.251 24.749 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.091 49.080 25.001 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.002 49.736 23.880 1.00 0.00 C ATOM 0 H VAL A 5 44.908 52.725 25.530 1.00 0.00 H new ATOM 0 HA VAL A 5 45.312 50.062 26.678 1.00 0.00 H new ATOM 0 HB VAL A 5 46.651 51.058 24.219 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.404 48.653 24.048 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.967 49.430 25.547 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.578 48.319 25.589 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.406 49.303 22.965 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.445 48.975 24.426 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.337 50.562 23.628 1.00 0.00 H new ATOM 92 N LYS A 6 47.437 50.932 27.776 1.00 0.00 N ATOM 93 CA LYS A 6 48.503 51.461 28.603 1.00 0.00 C ATOM 94 C LYS A 6 49.758 50.587 28.588 1.00 0.00 C ATOM 95 O LYS A 6 49.658 49.370 28.446 1.00 0.00 O ATOM 96 CB LYS A 6 47.962 51.700 30.010 1.00 0.00 C ATOM 97 CG LYS A 6 48.865 52.588 30.862 1.00 0.00 C ATOM 98 CD LYS A 6 48.192 52.962 32.180 1.00 0.00 C ATOM 99 CE LYS A 6 49.046 53.968 32.947 1.00 0.00 C ATOM 100 NZ LYS A 6 48.464 54.285 34.261 1.00 0.00 N ATOM 0 H LYS A 6 47.168 49.985 28.044 1.00 0.00 H new ATOM 0 HA LYS A 6 48.832 52.413 28.186 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.976 52.158 29.939 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.832 50.740 30.510 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.802 52.070 31.064 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.115 53.494 30.309 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.207 53.386 31.985 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.041 52.068 32.785 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.050 53.566 33.081 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.145 54.883 32.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.071 54.971 34.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.516 54.692 34.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.393 53.416 34.828 1.00 0.00 H new ATOM 168 N LYS A 11 52.915 55.323 28.917 1.00 0.00 N ATOM 169 CA LYS A 11 52.106 55.964 27.901 1.00 0.00 C ATOM 170 C LYS A 11 50.696 55.370 27.909 1.00 0.00 C ATOM 171 O LYS A 11 50.550 54.165 28.098 1.00 0.00 O ATOM 172 CB LYS A 11 52.785 55.809 26.543 1.00 0.00 C ATOM 173 CG LYS A 11 52.175 56.702 25.468 1.00 0.00 C ATOM 174 CD LYS A 11 52.846 56.490 24.113 1.00 0.00 C ATOM 175 CE LYS A 11 52.251 57.452 23.087 1.00 0.00 C ATOM 176 NZ LYS A 11 52.805 57.225 21.742 1.00 0.00 N ATOM 0 HA LYS A 11 52.012 57.030 28.110 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.845 56.043 26.644 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.717 54.769 26.225 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.109 56.493 25.383 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.273 57.747 25.764 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.920 56.654 24.199 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.706 55.460 23.784 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.168 57.331 23.060 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.449 58.479 23.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.456 57.960 21.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.843 57.265 21.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.508 56.290 21.397 1.00 0.00 H new ATOM 190 N THR A 12 49.685 56.191 27.638 1.00 0.00 N ATOM 191 CA THR A 12 48.339 55.736 27.356 1.00 0.00 C ATOM 192 C THR A 12 47.921 56.188 25.955 1.00 0.00 C ATOM 193 O THR A 12 48.115 57.346 25.594 1.00 0.00 O ATOM 194 CB THR A 12 47.328 56.198 28.402 1.00 0.00 C ATOM 195 OG1 THR A 12 47.765 55.828 29.690 1.00 0.00 O ATOM 196 CG2 THR A 12 45.955 55.563 28.201 1.00 0.00 C ATOM 0 H THR A 12 49.786 57.206 27.609 1.00 0.00 H new ATOM 0 HA THR A 12 48.347 54.647 27.398 1.00 0.00 H new ATOM 0 HB THR A 12 47.248 57.280 28.295 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.112 56.129 30.356 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.271 55.923 28.970 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.570 55.833 27.218 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.042 54.479 28.272 1.00 0.00 H new ATOM 204 N ILE A 13 47.339 55.286 25.169 1.00 0.00 N ATOM 205 CA ILE A 13 46.764 55.553 23.866 1.00 0.00 C ATOM 206 C ILE A 13 45.272 55.212 23.852 1.00 0.00 C ATOM 207 O ILE A 13 44.791 54.465 24.700 1.00 0.00 O ATOM 208 CB ILE A 13 47.542 54.858 22.751 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.509 53.337 22.877 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.962 55.411 22.674 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.185 52.577 21.739 1.00 0.00 C ATOM 0 H ILE A 13 47.255 54.307 25.441 1.00 0.00 H new ATOM 0 HA ILE A 13 46.849 56.621 23.668 1.00 0.00 H new ATOM 0 HB ILE A 13 47.047 55.080 21.806 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.987 53.055 23.815 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.469 53.016 22.940 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.506 54.907 21.875 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.925 56.481 22.469 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.471 55.241 23.623 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.108 51.505 21.921 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.695 52.821 20.797 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.236 52.861 21.685 1.00 0.00 H new ATOM 223 N THR A 14 44.537 55.743 22.879 1.00 0.00 N ATOM 224 CA THR A 14 43.129 55.483 22.658 1.00 0.00 C ATOM 225 C THR A 14 42.909 54.659 21.388 1.00 0.00 C ATOM 226 O THR A 14 43.705 54.746 20.455 1.00 0.00 O ATOM 227 CB THR A 14 42.311 56.770 22.605 1.00 0.00 C ATOM 228 OG1 THR A 14 42.906 57.752 21.787 1.00 0.00 O ATOM 229 CG2 THR A 14 42.129 57.396 23.984 1.00 0.00 C ATOM 0 H THR A 14 44.929 56.393 22.197 1.00 0.00 H new ATOM 0 HA THR A 14 42.779 54.903 23.512 1.00 0.00 H new ATOM 0 HB THR A 14 41.348 56.468 22.193 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.347 58.557 21.782 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.541 58.309 23.894 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.611 56.693 24.637 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.105 57.633 24.407 1.00 0.00 H new ATOM 237 N LEU A 15 41.851 53.855 21.351 1.00 0.00 N ATOM 238 CA LEU A 15 41.529 52.989 20.234 1.00 0.00 C ATOM 239 C LEU A 15 40.022 52.930 19.977 1.00 0.00 C ATOM 240 O LEU A 15 39.251 52.830 20.928 1.00 0.00 O ATOM 241 CB LEU A 15 42.078 51.594 20.519 1.00 0.00 C ATOM 242 CG LEU A 15 42.721 50.938 19.300 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.088 51.547 19.004 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.911 49.450 19.578 1.00 0.00 C ATOM 0 H LEU A 15 41.181 53.790 22.117 1.00 0.00 H new ATOM 0 HA LEU A 15 41.989 53.395 19.333 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.815 51.658 21.320 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.269 50.959 20.880 1.00 0.00 H new ATOM 0 HG LEU A 15 42.068 51.098 18.442 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.522 51.060 18.131 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.976 52.613 18.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.744 51.404 19.863 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.370 48.974 18.712 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.556 49.322 20.447 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.943 48.990 19.774 1.00 0.00 H new ATOM 256 N GLU A 16 39.603 52.934 18.714 1.00 0.00 N ATOM 257 CA GLU A 16 38.217 52.810 18.309 1.00 0.00 C ATOM 258 C GLU A 16 37.957 51.430 17.700 1.00 0.00 C ATOM 259 O GLU A 16 38.652 50.991 16.787 1.00 0.00 O ATOM 260 CB GLU A 16 37.814 53.952 17.382 1.00 0.00 C ATOM 261 CG GLU A 16 37.812 55.297 18.102 1.00 0.00 C ATOM 262 CD GLU A 16 37.431 56.456 17.179 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.981 56.562 16.061 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.594 57.301 17.567 1.00 0.00 O ATOM 0 H GLU A 16 40.243 53.027 17.925 1.00 0.00 H new ATOM 0 HA GLU A 16 37.582 52.892 19.191 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.502 53.994 16.537 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.822 53.757 16.976 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.113 55.257 18.937 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.801 55.482 18.522 1.00 0.00 H new ATOM 271 N VAL A 17 36.977 50.723 18.253 1.00 0.00 N ATOM 272 CA VAL A 17 36.719 49.310 18.058 1.00 0.00 C ATOM 273 C VAL A 17 35.220 49.007 18.089 1.00 0.00 C ATOM 274 O VAL A 17 34.428 49.785 18.620 1.00 0.00 O ATOM 275 CB VAL A 17 37.424 48.469 19.118 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.945 48.570 19.053 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.991 48.807 20.542 1.00 0.00 C ATOM 0 H VAL A 17 36.303 51.152 18.887 1.00 0.00 H new ATOM 0 HA VAL A 17 37.112 49.049 17.075 1.00 0.00 H new ATOM 0 HB VAL A 17 37.119 47.450 18.880 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.385 47.949 19.833 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.291 48.227 18.078 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.247 49.607 19.201 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.530 48.173 21.246 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.214 49.853 20.751 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.920 48.636 20.647 1.00 0.00 H new ATOM 287 N GLU A 18 34.826 47.842 17.583 1.00 0.00 N ATOM 288 CA GLU A 18 33.532 47.233 17.820 1.00 0.00 C ATOM 289 C GLU A 18 33.716 45.906 18.558 1.00 0.00 C ATOM 290 O GLU A 18 34.730 45.244 18.345 1.00 0.00 O ATOM 291 CB GLU A 18 32.810 47.029 16.492 1.00 0.00 C ATOM 292 CG GLU A 18 32.310 48.314 15.838 1.00 0.00 C ATOM 293 CD GLU A 18 31.052 48.879 16.501 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.069 48.130 16.690 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.989 50.088 16.811 1.00 0.00 O ATOM 0 H GLU A 18 35.424 47.281 16.976 1.00 0.00 H new ATOM 0 HA GLU A 18 32.923 47.889 18.442 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.484 46.523 15.801 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.961 46.364 16.653 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.100 49.064 15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.103 48.121 14.785 1.00 0.00 H new ATOM 302 N PRO A 19 32.788 45.445 19.392 1.00 0.00 N ATOM 303 CA PRO A 19 32.931 44.209 20.134 1.00 0.00 C ATOM 304 C PRO A 19 33.190 42.952 19.300 1.00 0.00 C ATOM 305 O PRO A 19 33.747 41.975 19.797 1.00 0.00 O ATOM 306 CB PRO A 19 31.635 44.051 20.925 1.00 0.00 C ATOM 307 CG PRO A 19 31.162 45.489 21.122 1.00 0.00 C ATOM 308 CD PRO A 19 31.599 46.154 19.821 1.00 0.00 C ATOM 0 HA PRO A 19 33.825 44.291 20.753 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.901 43.458 20.379 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.805 43.550 21.878 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.083 45.546 21.266 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.625 45.954 21.992 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.814 46.091 19.068 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.810 47.212 19.975 1.00 0.00 H new ATOM 316 N SER A 20 32.788 42.966 18.033 1.00 0.00 N ATOM 317 CA SER A 20 32.988 41.923 17.047 1.00 0.00 C ATOM 318 C SER A 20 34.394 41.869 16.446 1.00 0.00 C ATOM 319 O SER A 20 34.701 40.920 15.726 1.00 0.00 O ATOM 320 CB SER A 20 31.935 42.068 15.953 1.00 0.00 C ATOM 321 OG SER A 20 31.692 43.420 15.637 1.00 0.00 O ATOM 0 H SER A 20 32.280 43.762 17.648 1.00 0.00 H new ATOM 0 HA SER A 20 32.878 40.973 17.570 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.265 41.539 15.059 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.007 41.598 16.277 1.00 0.00 H new ATOM 0 HG SER A 20 31.014 43.474 14.932 1.00 0.00 H new ATOM 327 N ASP A 21 35.256 42.842 16.723 1.00 0.00 N ATOM 328 CA ASP A 21 36.626 42.853 16.251 1.00 0.00 C ATOM 329 C ASP A 21 37.488 41.815 16.973 1.00 0.00 C ATOM 330 O ASP A 21 37.332 41.570 18.167 1.00 0.00 O ATOM 331 CB ASP A 21 37.243 44.245 16.362 1.00 0.00 C ATOM 332 CG ASP A 21 36.646 45.251 15.377 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.319 44.863 14.235 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.550 46.451 15.715 1.00 0.00 O ATOM 0 H ASP A 21 35.014 43.654 17.290 1.00 0.00 H new ATOM 0 HA ASP A 21 36.599 42.579 15.196 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.106 44.616 17.378 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.317 44.173 16.191 1.00 0.00 H new ATOM 339 N THR A 22 38.417 41.206 16.241 1.00 0.00 N ATOM 340 CA THR A 22 39.359 40.244 16.777 1.00 0.00 C ATOM 341 C THR A 22 40.463 40.933 17.582 1.00 0.00 C ATOM 342 O THR A 22 40.809 42.084 17.323 1.00 0.00 O ATOM 343 CB THR A 22 39.974 39.350 15.705 1.00 0.00 C ATOM 344 OG1 THR A 22 40.756 40.112 14.812 1.00 0.00 O ATOM 345 CG2 THR A 22 38.925 38.584 14.904 1.00 0.00 C ATOM 0 H THR A 22 38.533 41.374 15.242 1.00 0.00 H new ATOM 0 HA THR A 22 38.782 39.602 17.442 1.00 0.00 H new ATOM 0 HB THR A 22 40.595 38.626 16.233 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.144 39.522 14.132 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.419 37.964 14.156 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.346 37.950 15.575 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.259 39.290 14.408 1.00 0.00 H new ATOM 353 N ILE A 23 41.086 40.224 18.518 1.00 0.00 N ATOM 354 CA ILE A 23 42.232 40.733 19.244 1.00 0.00 C ATOM 355 C ILE A 23 43.389 41.032 18.289 1.00 0.00 C ATOM 356 O ILE A 23 44.103 42.011 18.495 1.00 0.00 O ATOM 357 CB ILE A 23 42.628 39.783 20.371 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.518 39.504 21.379 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.879 40.265 21.102 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.833 40.720 21.996 1.00 0.00 C ATOM 0 H ILE A 23 40.807 39.282 18.790 1.00 0.00 H new ATOM 0 HA ILE A 23 41.959 41.678 19.714 1.00 0.00 H new ATOM 0 HB ILE A 23 42.838 38.838 19.869 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.757 38.897 20.888 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.935 38.902 22.186 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.129 39.563 21.897 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.710 40.328 20.399 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.692 41.249 21.533 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.064 40.389 22.694 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.570 41.323 22.526 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.374 41.318 21.208 1.00 0.00 H new ATOM 372 N GLU A 24 43.564 40.282 17.205 1.00 0.00 N ATOM 373 CA GLU A 24 44.558 40.598 16.197 1.00 0.00 C ATOM 374 C GLU A 24 44.244 41.872 15.411 1.00 0.00 C ATOM 375 O GLU A 24 45.164 42.603 15.050 1.00 0.00 O ATOM 376 CB GLU A 24 44.723 39.384 15.288 1.00 0.00 C ATOM 377 CG GLU A 24 45.923 39.484 14.351 1.00 0.00 C ATOM 378 CD GLU A 24 46.133 38.132 13.663 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.211 37.684 12.949 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.192 37.501 13.871 1.00 0.00 O ATOM 0 H GLU A 24 43.021 39.442 17.005 1.00 0.00 H new ATOM 0 HA GLU A 24 45.502 40.816 16.697 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.826 38.490 15.904 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.818 39.259 14.694 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.756 40.263 13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.815 39.764 14.911 1.00 0.00 H new ATOM 387 N ASN A 25 42.974 42.194 15.186 1.00 0.00 N ATOM 388 CA ASN A 25 42.568 43.470 14.633 1.00 0.00 C ATOM 389 C ASN A 25 42.777 44.608 15.636 1.00 0.00 C ATOM 390 O ASN A 25 43.272 45.667 15.258 1.00 0.00 O ATOM 391 CB ASN A 25 41.127 43.359 14.142 1.00 0.00 C ATOM 392 CG ASN A 25 40.624 44.589 13.384 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.354 45.509 13.025 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.322 44.614 13.111 1.00 0.00 N ATOM 0 H ASN A 25 42.195 41.567 15.386 1.00 0.00 H new ATOM 0 HA ASN A 25 43.198 43.721 13.779 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.043 42.487 13.493 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.476 43.183 14.998 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.923 45.401 12.600 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.723 43.846 13.413 1.00 0.00 H new ATOM 401 N VAL A 26 42.527 44.400 16.925 1.00 0.00 N ATOM 402 CA VAL A 26 42.872 45.346 17.966 1.00 0.00 C ATOM 403 C VAL A 26 44.377 45.620 17.982 1.00 0.00 C ATOM 404 O VAL A 26 44.789 46.779 17.977 1.00 0.00 O ATOM 405 CB VAL A 26 42.348 44.879 19.322 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.811 45.746 20.489 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.823 44.872 19.343 1.00 0.00 C ATOM 0 H VAL A 26 42.073 43.556 17.275 1.00 0.00 H new ATOM 0 HA VAL A 26 42.382 46.295 17.747 1.00 0.00 H new ATOM 0 HB VAL A 26 42.756 43.876 19.448 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.400 45.354 21.419 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.900 45.735 20.541 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.465 46.769 20.342 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.474 44.536 20.319 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.452 45.879 19.152 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.452 44.196 18.573 1.00 0.00 H new ATOM 417 N LYS A 27 45.215 44.591 17.899 1.00 0.00 N ATOM 418 CA LYS A 27 46.657 44.717 17.817 1.00 0.00 C ATOM 419 C LYS A 27 47.106 45.408 16.528 1.00 0.00 C ATOM 420 O LYS A 27 48.043 46.202 16.565 1.00 0.00 O ATOM 421 CB LYS A 27 47.297 43.346 18.009 1.00 0.00 C ATOM 422 CG LYS A 27 47.111 42.810 19.426 1.00 0.00 C ATOM 423 CD LYS A 27 47.444 41.331 19.596 1.00 0.00 C ATOM 424 CE LYS A 27 48.948 41.086 19.513 1.00 0.00 C ATOM 425 NZ LYS A 27 49.304 39.661 19.580 1.00 0.00 N ATOM 0 H LYS A 27 44.896 43.622 17.887 1.00 0.00 H new ATOM 0 HA LYS A 27 47.000 45.368 18.621 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.863 42.643 17.298 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.362 43.411 17.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.737 43.390 20.104 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.077 42.973 19.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.069 40.980 20.558 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.936 40.751 18.825 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.328 41.506 18.582 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.442 41.617 20.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.312 39.544 19.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.124 39.303 20.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.729 39.127 18.897 1.00 0.00 H new ATOM 439 N ALA A 28 46.414 45.206 15.411 1.00 0.00 N ATOM 440 CA ALA A 28 46.659 45.914 14.170 1.00 0.00 C ATOM 441 C ALA A 28 46.167 47.363 14.175 1.00 0.00 C ATOM 442 O ALA A 28 46.751 48.217 13.512 1.00 0.00 O ATOM 443 CB ALA A 28 46.042 45.114 13.026 1.00 0.00 C ATOM 0 H ALA A 28 45.652 44.530 15.347 1.00 0.00 H new ATOM 0 HA ALA A 28 47.738 45.993 14.038 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.217 45.633 12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.498 44.125 12.986 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.969 45.012 13.190 1.00 0.00 H new ATOM 449 N LYS A 29 45.127 47.696 14.933 1.00 0.00 N ATOM 450 CA LYS A 29 44.686 49.055 15.172 1.00 0.00 C ATOM 451 C LYS A 29 45.681 49.816 16.050 1.00 0.00 C ATOM 452 O LYS A 29 45.905 51.001 15.817 1.00 0.00 O ATOM 453 CB LYS A 29 43.284 49.050 15.776 1.00 0.00 C ATOM 454 CG LYS A 29 42.179 48.830 14.746 1.00 0.00 C ATOM 455 CD LYS A 29 40.858 48.474 15.420 1.00 0.00 C ATOM 456 CE LYS A 29 39.684 48.469 14.446 1.00 0.00 C ATOM 457 NZ LYS A 29 39.129 49.818 14.252 1.00 0.00 N ATOM 0 H LYS A 29 44.553 47.001 15.411 1.00 0.00 H new ATOM 0 HA LYS A 29 44.643 49.581 14.218 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.226 48.268 16.533 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.112 49.999 16.284 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.053 49.731 14.146 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.469 48.031 14.063 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.944 47.491 15.884 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.659 49.187 16.220 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.010 48.069 13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.904 47.805 14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.236 49.753 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.952 50.257 15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.807 50.399 13.718 1.00 0.00 H new ATOM 471 N ILE A 30 46.331 49.147 17.000 1.00 0.00 N ATOM 472 CA ILE A 30 47.467 49.674 17.728 1.00 0.00 C ATOM 473 C ILE A 30 48.643 49.898 16.776 1.00 0.00 C ATOM 474 O ILE A 30 49.213 50.987 16.758 1.00 0.00 O ATOM 475 CB ILE A 30 47.832 48.777 18.907 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.727 48.761 19.959 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.153 49.193 19.547 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.864 47.631 20.976 1.00 0.00 C ATOM 0 H ILE A 30 46.071 48.203 17.286 1.00 0.00 H new ATOM 0 HA ILE A 30 47.198 50.642 18.151 1.00 0.00 H new ATOM 0 HB ILE A 30 47.948 47.769 18.508 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.726 49.715 20.487 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.763 48.673 19.459 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.377 48.530 20.382 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.952 49.129 18.808 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.075 50.218 19.909 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.043 47.684 21.692 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.834 46.671 20.460 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.813 47.730 21.504 1.00 0.00 H new ATOM 490 N GLN A 31 48.989 48.915 15.949 1.00 0.00 N ATOM 491 CA GLN A 31 50.037 49.016 14.953 1.00 0.00 C ATOM 492 C GLN A 31 49.884 50.239 14.045 1.00 0.00 C ATOM 493 O GLN A 31 50.889 50.882 13.744 1.00 0.00 O ATOM 494 CB GLN A 31 50.052 47.745 14.108 1.00 0.00 C ATOM 495 CG GLN A 31 51.172 47.690 13.075 1.00 0.00 C ATOM 496 CD GLN A 31 51.064 46.460 12.172 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.033 45.795 12.086 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.127 46.090 11.463 1.00 0.00 N ATOM 0 H GLN A 31 48.532 48.003 15.958 1.00 0.00 H new ATOM 0 HA GLN A 31 50.980 49.136 15.486 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.142 46.884 14.770 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.095 47.653 13.594 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.144 48.592 12.463 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.135 47.681 13.586 1.00 0.00 H new ATOM 0 HE21 GLN A 31 52.991 46.629 11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.078 45.268 10.861 1.00 0.00 H new ATOM 507 N ASP A 32 48.668 50.607 13.652 1.00 0.00 N ATOM 508 CA ASP A 32 48.414 51.771 12.826 1.00 0.00 C ATOM 509 C ASP A 32 49.019 53.057 13.392 1.00 0.00 C ATOM 510 O ASP A 32 49.647 53.809 12.648 1.00 0.00 O ATOM 511 CB ASP A 32 46.904 51.919 12.654 1.00 0.00 C ATOM 512 CG ASP A 32 46.557 52.888 11.522 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.642 52.464 10.349 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.203 54.057 11.788 1.00 0.00 O ATOM 0 H ASP A 32 47.823 50.094 13.905 1.00 0.00 H new ATOM 0 HA ASP A 32 48.901 51.614 11.863 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.464 50.944 12.446 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.465 52.275 13.586 1.00 0.00 H new ATOM 519 N LYS A 33 48.885 53.272 14.697 1.00 0.00 N ATOM 520 CA LYS A 33 49.312 54.466 15.398 1.00 0.00 C ATOM 521 C LYS A 33 50.594 54.339 16.224 1.00 0.00 C ATOM 522 O LYS A 33 51.139 55.365 16.624 1.00 0.00 O ATOM 523 CB LYS A 33 48.145 55.040 16.196 1.00 0.00 C ATOM 524 CG LYS A 33 47.634 54.158 17.333 1.00 0.00 C ATOM 525 CD LYS A 33 46.669 54.907 18.247 1.00 0.00 C ATOM 526 CE LYS A 33 45.373 55.314 17.553 1.00 0.00 C ATOM 527 NZ LYS A 33 44.627 56.289 18.363 1.00 0.00 N ATOM 0 H LYS A 33 48.456 52.585 15.317 1.00 0.00 H new ATOM 0 HA LYS A 33 49.608 55.175 14.625 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.449 56.001 16.612 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.320 55.236 15.511 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.134 53.283 16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.479 53.794 17.918 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.431 54.279 19.106 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.163 55.799 18.632 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.598 55.743 16.577 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.756 54.432 17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.758 56.563 17.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.379 55.863 19.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.216 57.132 18.521 1.00 0.00 H new ATOM 541 N GLU A 34 51.100 53.135 16.475 1.00 0.00 N ATOM 542 CA GLU A 34 52.328 52.881 17.203 1.00 0.00 C ATOM 543 C GLU A 34 53.426 52.209 16.376 1.00 0.00 C ATOM 544 O GLU A 34 54.564 52.139 16.835 1.00 0.00 O ATOM 545 CB GLU A 34 52.034 52.034 18.437 1.00 0.00 C ATOM 546 CG GLU A 34 51.378 52.775 19.599 1.00 0.00 C ATOM 547 CD GLU A 34 52.324 53.773 20.268 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.409 53.367 20.739 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.025 54.987 20.287 1.00 0.00 O ATOM 0 H GLU A 34 50.643 52.279 16.162 1.00 0.00 H new ATOM 0 HA GLU A 34 52.713 53.862 17.483 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.387 51.208 18.144 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.969 51.597 18.788 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.496 53.303 19.237 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.036 52.052 20.339 1.00 0.00 H new ATOM 556 N GLY A 35 53.130 51.688 15.188 1.00 0.00 N ATOM 557 CA GLY A 35 54.079 51.092 14.271 1.00 0.00 C ATOM 558 C GLY A 35 54.543 49.668 14.587 1.00 0.00 C ATOM 559 O GLY A 35 55.309 49.107 13.808 1.00 0.00 O ATOM 0 H GLY A 35 52.176 51.673 14.828 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.635 51.092 13.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.959 51.734 14.228 1.00 0.00 H new ATOM 563 N ILE A 36 54.079 49.068 15.679 1.00 0.00 N ATOM 564 CA ILE A 36 54.542 47.803 16.216 1.00 0.00 C ATOM 565 C ILE A 36 53.643 46.668 15.721 1.00 0.00 C ATOM 566 O ILE A 36 52.459 46.687 16.050 1.00 0.00 O ATOM 567 CB ILE A 36 54.559 47.860 17.741 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.474 48.952 18.289 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.000 46.526 18.334 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.106 49.383 19.705 1.00 0.00 C ATOM 0 H ILE A 36 53.331 49.477 16.239 1.00 0.00 H new ATOM 0 HA ILE A 36 55.558 47.613 15.870 1.00 0.00 H new ATOM 0 HB ILE A 36 53.535 48.090 18.034 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.503 48.594 18.280 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.432 49.818 17.629 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.003 46.595 19.422 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.309 45.743 18.022 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.003 46.286 17.983 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.793 50.161 20.039 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.087 49.770 19.714 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.175 48.526 20.376 1.00 0.00 H new ATOM 582 N PRO A 37 54.126 45.669 14.989 1.00 0.00 N ATOM 583 CA PRO A 37 53.318 44.567 14.509 1.00 0.00 C ATOM 584 C PRO A 37 52.698 43.680 15.592 1.00 0.00 C ATOM 585 O PRO A 37 53.290 43.548 16.661 1.00 0.00 O ATOM 586 CB PRO A 37 54.213 43.744 13.587 1.00 0.00 C ATOM 587 CG PRO A 37 55.279 44.738 13.134 1.00 0.00 C ATOM 588 CD PRO A 37 55.431 45.635 14.360 1.00 0.00 C ATOM 0 HA PRO A 37 52.451 44.987 13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.654 42.895 14.110 1.00 0.00 H new ATOM 0 HB3 PRO A 37 53.655 43.342 12.741 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.214 44.241 12.875 1.00 0.00 H new ATOM 0 HG3 PRO A 37 54.963 45.301 12.255 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.184 45.240 15.042 1.00 0.00 H new ATOM 0 HD3 PRO A 37 55.754 46.636 14.074 1.00 0.00 H new ATOM 596 N PRO A 38 51.573 43.014 15.349 1.00 0.00 N ATOM 597 CA PRO A 38 50.907 42.169 16.320 1.00 0.00 C ATOM 598 C PRO A 38 51.750 41.055 16.943 1.00 0.00 C ATOM 599 O PRO A 38 51.576 40.777 18.128 1.00 0.00 O ATOM 600 CB PRO A 38 49.695 41.581 15.603 1.00 0.00 C ATOM 601 CG PRO A 38 49.331 42.674 14.602 1.00 0.00 C ATOM 602 CD PRO A 38 50.706 43.207 14.206 1.00 0.00 C ATOM 0 HA PRO A 38 50.653 42.791 17.179 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.936 40.641 15.106 1.00 0.00 H new ATOM 0 HB3 PRO A 38 48.877 41.376 16.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 48.784 42.279 13.746 1.00 0.00 H new ATOM 0 HG3 PRO A 38 48.707 43.447 15.050 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.090 42.676 13.335 1.00 0.00 H new ATOM 0 HD3 PRO A 38 50.649 44.262 13.937 1.00 0.00 H new ATOM 610 N ASP A 39 52.693 40.449 16.226 1.00 0.00 N ATOM 611 CA ASP A 39 53.580 39.450 16.784 1.00 0.00 C ATOM 612 C ASP A 39 54.493 40.009 17.877 1.00 0.00 C ATOM 613 O ASP A 39 54.929 39.273 18.759 1.00 0.00 O ATOM 614 CB ASP A 39 54.424 38.837 15.669 1.00 0.00 C ATOM 615 CG ASP A 39 55.281 37.670 16.163 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.520 37.805 16.253 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.724 36.584 16.431 1.00 0.00 O ATOM 0 H ASP A 39 52.858 40.643 15.238 1.00 0.00 H new ATOM 0 HA ASP A 39 52.955 38.689 17.251 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.769 38.491 14.869 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.070 39.604 15.242 1.00 0.00 H new ATOM 622 N GLN A 40 54.737 41.317 17.860 1.00 0.00 N ATOM 623 CA GLN A 40 55.585 42.038 18.788 1.00 0.00 C ATOM 624 C GLN A 40 54.815 42.608 19.980 1.00 0.00 C ATOM 625 O GLN A 40 55.394 43.335 20.783 1.00 0.00 O ATOM 626 CB GLN A 40 56.363 43.113 18.033 1.00 0.00 C ATOM 627 CG GLN A 40 57.118 42.597 16.812 1.00 0.00 C ATOM 628 CD GLN A 40 57.975 43.664 16.127 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.236 44.752 16.635 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.466 43.385 14.923 1.00 0.00 N ATOM 0 H GLN A 40 54.323 41.930 17.158 1.00 0.00 H new ATOM 0 HA GLN A 40 56.292 41.331 19.222 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.670 43.892 17.715 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.074 43.578 18.716 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.758 41.768 17.114 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.401 42.201 16.092 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.261 42.487 14.484 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.048 44.069 14.438 1.00 0.00 H new ATOM 639 N GLN A 41 53.532 42.286 20.123 1.00 0.00 N ATOM 640 CA GLN A 41 52.648 42.757 21.170 1.00 0.00 C ATOM 641 C GLN A 41 52.046 41.597 21.965 1.00 0.00 C ATOM 642 O GLN A 41 51.533 40.651 21.372 1.00 0.00 O ATOM 643 CB GLN A 41 51.491 43.545 20.565 1.00 0.00 C ATOM 644 CG GLN A 41 51.808 44.804 19.763 1.00 0.00 C ATOM 645 CD GLN A 41 50.526 45.394 19.172 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.455 45.363 19.775 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.543 45.922 17.951 1.00 0.00 N ATOM 0 H GLN A 41 53.062 41.655 19.474 1.00 0.00 H new ATOM 0 HA GLN A 41 53.247 43.383 21.832 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.934 42.870 19.916 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.823 43.829 21.378 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.293 45.540 20.405 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.510 44.567 18.963 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.416 45.962 17.425 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.683 46.286 17.541 1.00 0.00 H new ATOM 656 N ARG A 42 51.998 41.713 23.289 1.00 0.00 N ATOM 657 CA ARG A 42 51.194 40.895 24.174 1.00 0.00 C ATOM 658 C ARG A 42 50.182 41.775 24.909 1.00 0.00 C ATOM 659 O ARG A 42 50.596 42.687 25.621 1.00 0.00 O ATOM 660 CB ARG A 42 52.117 40.165 25.145 1.00 0.00 C ATOM 661 CG ARG A 42 51.417 39.052 25.920 1.00 0.00 C ATOM 662 CD ARG A 42 52.164 38.635 27.184 1.00 0.00 C ATOM 663 NE ARG A 42 53.548 38.245 26.920 1.00 0.00 N ATOM 664 CZ ARG A 42 54.644 38.741 27.511 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.609 39.551 28.577 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.859 38.447 27.027 1.00 0.00 N ATOM 0 H ARG A 42 52.545 42.413 23.791 1.00 0.00 H new ATOM 0 HA ARG A 42 50.635 40.152 23.606 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.955 39.741 24.591 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.533 40.884 25.851 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.414 39.383 26.191 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.302 38.184 25.271 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.153 39.460 27.896 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.640 37.802 27.653 1.00 0.00 H new ATOM 0 HE ARG A 42 53.694 37.523 26.215 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.713 39.822 28.982 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.478 39.897 28.983 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.950 37.845 26.208 1.00 0.00 H new ATOM 0 HH22 ARG A 42 56.693 38.825 27.477 1.00 0.00 H new ATOM 680 N LEU A 43 48.888 41.514 24.750 1.00 0.00 N ATOM 681 CA LEU A 43 47.825 42.224 25.434 1.00 0.00 C ATOM 682 C LEU A 43 47.242 41.421 26.598 1.00 0.00 C ATOM 683 O LEU A 43 46.878 40.259 26.432 1.00 0.00 O ATOM 684 CB LEU A 43 46.730 42.646 24.458 1.00 0.00 C ATOM 685 CG LEU A 43 47.106 43.696 23.417 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.890 43.979 22.537 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.533 45.019 24.044 1.00 0.00 C ATOM 0 H LEU A 43 48.547 40.784 24.125 1.00 0.00 H new ATOM 0 HA LEU A 43 48.270 43.123 25.861 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.381 41.757 23.933 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.888 43.026 25.036 1.00 0.00 H new ATOM 0 HG LEU A 43 47.945 43.295 22.848 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.149 44.729 21.789 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.580 43.061 22.038 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.072 44.350 23.155 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.789 45.729 23.257 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.714 45.420 24.641 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.401 44.856 24.682 1.00 0.00 H new ATOM 699 N ILE A 44 47.117 42.061 27.757 1.00 0.00 N ATOM 700 CA ILE A 44 46.649 41.504 29.010 1.00 0.00 C ATOM 701 C ILE A 44 45.449 42.287 29.548 1.00 0.00 C ATOM 702 O ILE A 44 45.415 43.514 29.483 1.00 0.00 O ATOM 703 CB ILE A 44 47.785 41.450 30.027 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.024 40.694 29.557 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.330 40.888 31.371 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.842 39.209 29.253 1.00 0.00 C ATOM 0 H ILE A 44 47.358 43.048 27.845 1.00 0.00 H new ATOM 0 HA ILE A 44 46.313 40.483 28.828 1.00 0.00 H new ATOM 0 HB ILE A 44 48.076 42.494 30.145 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.401 41.182 28.658 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.795 40.794 30.321 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.173 40.869 32.062 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.540 41.518 31.780 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.952 39.875 31.233 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.792 38.785 28.929 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.502 38.693 30.151 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.102 39.088 28.462 1.00 0.00 H new ATOM 718 N PHE A 45 44.466 41.576 30.092 1.00 0.00 N ATOM 719 CA PHE A 45 43.297 42.127 30.747 1.00 0.00 C ATOM 720 C PHE A 45 42.702 41.133 31.746 1.00 0.00 C ATOM 721 O PHE A 45 42.650 39.942 31.451 1.00 0.00 O ATOM 722 CB PHE A 45 42.271 42.476 29.674 1.00 0.00 C ATOM 723 CG PHE A 45 41.034 43.189 30.166 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.103 44.546 30.507 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.809 42.518 30.243 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.948 45.236 30.893 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.652 43.204 30.634 1.00 0.00 C ATOM 728 CZ PHE A 45 38.719 44.566 30.947 1.00 0.00 C ATOM 0 H PHE A 45 44.468 40.556 30.085 1.00 0.00 H new ATOM 0 HA PHE A 45 43.581 43.019 31.306 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.755 43.100 28.923 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.965 41.556 29.175 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.051 45.062 30.472 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.755 41.467 30.000 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.004 46.284 31.149 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.709 42.682 30.694 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.824 45.100 31.230 1.00 0.00 H new ATOM 738 N ALA A 46 42.250 41.584 32.914 1.00 0.00 N ATOM 739 CA ALA A 46 41.801 40.745 34.007 1.00 0.00 C ATOM 740 C ALA A 46 42.814 39.691 34.460 1.00 0.00 C ATOM 741 O ALA A 46 42.459 38.613 34.931 1.00 0.00 O ATOM 742 CB ALA A 46 40.419 40.183 33.689 1.00 0.00 C ATOM 0 H ALA A 46 42.187 42.580 33.126 1.00 0.00 H new ATOM 0 HA ALA A 46 41.714 41.378 34.890 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.084 39.553 34.513 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.715 41.004 33.551 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.469 39.590 32.776 1.00 0.00 H new ATOM 748 N GLY A 47 44.099 39.960 34.248 1.00 0.00 N ATOM 749 CA GLY A 47 45.208 39.044 34.410 1.00 0.00 C ATOM 750 C GLY A 47 45.342 37.972 33.327 1.00 0.00 C ATOM 751 O GLY A 47 46.323 37.231 33.348 1.00 0.00 O ATOM 0 H GLY A 47 44.405 40.883 33.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.132 39.622 34.441 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.109 38.549 35.376 1.00 0.00 H new ATOM 755 N LYS A 48 44.406 37.899 32.385 1.00 0.00 N ATOM 756 CA LYS A 48 44.301 36.917 31.325 1.00 0.00 C ATOM 757 C LYS A 48 45.044 37.359 30.062 1.00 0.00 C ATOM 758 O LYS A 48 45.092 38.545 29.746 1.00 0.00 O ATOM 759 CB LYS A 48 42.840 36.666 30.963 1.00 0.00 C ATOM 760 CG LYS A 48 41.915 36.398 32.147 1.00 0.00 C ATOM 761 CD LYS A 48 40.504 36.042 31.690 1.00 0.00 C ATOM 762 CE LYS A 48 39.608 35.823 32.905 1.00 0.00 C ATOM 763 NZ LYS A 48 38.269 35.339 32.535 1.00 0.00 N ATOM 0 H LYS A 48 43.647 38.579 32.345 1.00 0.00 H new ATOM 0 HA LYS A 48 44.757 36.002 31.702 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.464 37.531 30.417 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.791 35.815 30.284 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.319 35.583 32.748 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.879 37.279 32.788 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.101 36.841 31.068 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.527 35.141 31.076 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.079 35.104 33.575 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.514 36.758 33.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.698 35.206 33.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.807 36.036 31.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.354 34.433 32.032 1.00 0.00 H new ATOM 777 N GLN A 49 45.527 36.392 29.285 1.00 0.00 N ATOM 778 CA GLN A 49 46.001 36.611 27.934 1.00 0.00 C ATOM 779 C GLN A 49 44.833 36.906 26.991 1.00 0.00 C ATOM 780 O GLN A 49 43.912 36.100 26.893 1.00 0.00 O ATOM 781 CB GLN A 49 46.794 35.381 27.503 1.00 0.00 C ATOM 782 CG GLN A 49 47.380 35.452 26.097 1.00 0.00 C ATOM 783 CD GLN A 49 48.341 36.633 25.943 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.427 36.667 26.516 1.00 0.00 O ATOM 785 NE2 GLN A 49 47.961 37.662 25.191 1.00 0.00 N ATOM 0 H GLN A 49 45.598 35.421 29.588 1.00 0.00 H new ATOM 0 HA GLN A 49 46.653 37.484 27.895 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.607 35.225 28.212 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.144 34.508 27.566 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.906 34.524 25.875 1.00 0.00 H new ATOM 0 HG3 GLN A 49 46.573 35.543 25.370 1.00 0.00 H new ATOM 0 HE21 GLN A 49 47.060 37.639 24.713 1.00 0.00 H new ATOM 0 HE22 GLN A 49 48.570 38.474 25.092 1.00 0.00 H new ATOM 794 N LEU A 50 44.885 38.018 26.263 1.00 0.00 N ATOM 795 CA LEU A 50 43.993 38.279 25.152 1.00 0.00 C ATOM 796 C LEU A 50 44.540 37.632 23.878 1.00 0.00 C ATOM 797 O LEU A 50 45.680 37.880 23.489 1.00 0.00 O ATOM 798 CB LEU A 50 43.746 39.776 24.991 1.00 0.00 C ATOM 799 CG LEU A 50 43.064 40.462 26.171 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.824 41.931 25.835 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.710 39.846 26.510 1.00 0.00 C ATOM 0 H LEU A 50 45.556 38.767 26.434 1.00 0.00 H new ATOM 0 HA LEU A 50 43.023 37.827 25.357 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.703 40.267 24.812 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.136 39.932 24.101 1.00 0.00 H new ATOM 0 HG LEU A 50 43.728 40.341 27.027 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.337 42.422 26.677 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.778 42.419 25.633 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.186 42.003 24.954 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.272 40.374 27.357 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.047 39.928 25.649 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.843 38.795 26.767 1.00 0.00 H new ATOM 813 N GLU A 51 43.740 36.776 23.247 1.00 0.00 N ATOM 814 CA GLU A 51 44.173 35.791 22.277 1.00 0.00 C ATOM 815 C GLU A 51 43.795 36.167 20.842 1.00 0.00 C ATOM 816 O GLU A 51 42.632 36.448 20.562 1.00 0.00 O ATOM 817 CB GLU A 51 43.572 34.460 22.721 1.00 0.00 C ATOM 818 CG GLU A 51 44.043 33.241 21.933 1.00 0.00 C ATOM 819 CD GLU A 51 43.298 31.990 22.403 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.553 31.381 21.605 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.445 31.587 23.578 1.00 0.00 O ATOM 0 H GLU A 51 42.733 36.754 23.409 1.00 0.00 H new ATOM 0 HA GLU A 51 45.261 35.729 22.250 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.808 34.306 23.774 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.487 34.526 22.644 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.870 33.398 20.868 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.116 33.105 22.065 1.00 0.00 H new ATOM 828 N ASP A 52 44.761 36.147 19.928 1.00 0.00 N ATOM 829 CA ASP A 52 44.694 36.740 18.607 1.00 0.00 C ATOM 830 C ASP A 52 43.506 36.301 17.748 1.00 0.00 C ATOM 831 O ASP A 52 43.003 37.104 16.966 1.00 0.00 O ATOM 832 CB ASP A 52 45.987 36.441 17.853 1.00 0.00 C ATOM 833 CG ASP A 52 47.227 37.132 18.426 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.878 36.558 19.326 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.590 38.229 17.951 1.00 0.00 O ATOM 0 H ASP A 52 45.656 35.691 20.104 1.00 0.00 H new ATOM 0 HA ASP A 52 44.554 37.807 18.779 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.153 35.364 17.854 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.865 36.744 16.813 1.00 0.00 H new ATOM 840 N GLY A 53 43.048 35.059 17.867 1.00 0.00 N ATOM 841 CA GLY A 53 41.929 34.513 17.126 1.00 0.00 C ATOM 842 C GLY A 53 40.552 34.663 17.775 1.00 0.00 C ATOM 843 O GLY A 53 39.584 34.137 17.233 1.00 0.00 O ATOM 0 H GLY A 53 43.466 34.384 18.508 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.900 34.991 16.147 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.115 33.452 16.957 1.00 0.00 H new ATOM 847 N ARG A 54 40.435 35.332 18.920 1.00 0.00 N ATOM 848 CA ARG A 54 39.196 35.599 19.620 1.00 0.00 C ATOM 849 C ARG A 54 38.775 37.061 19.462 1.00 0.00 C ATOM 850 O ARG A 54 39.553 37.865 18.952 1.00 0.00 O ATOM 851 CB ARG A 54 39.335 35.190 21.084 1.00 0.00 C ATOM 852 CG ARG A 54 39.925 33.807 21.343 1.00 0.00 C ATOM 853 CD ARG A 54 39.180 32.650 20.682 1.00 0.00 C ATOM 854 NE ARG A 54 39.797 31.374 21.043 1.00 0.00 N ATOM 855 CZ ARG A 54 39.249 30.153 20.966 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.089 29.920 20.338 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.860 29.102 21.531 1.00 0.00 N ATOM 0 H ARG A 54 41.246 35.719 19.403 1.00 0.00 H new ATOM 0 HA ARG A 54 38.399 35.001 19.178 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.958 35.928 21.589 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.349 35.235 21.547 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.958 33.799 20.995 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.949 33.635 22.419 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.135 32.657 20.993 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.191 32.773 19.599 1.00 0.00 H new ATOM 0 HE ARG A 54 40.754 31.418 21.393 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.586 30.688 19.894 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.709 28.974 20.304 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.745 29.230 22.022 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.440 28.175 21.470 1.00 0.00 H new ATOM 871 N THR A 55 37.570 37.431 19.884 1.00 0.00 N ATOM 872 CA THR A 55 37.038 38.777 19.812 1.00 0.00 C ATOM 873 C THR A 55 36.973 39.494 21.162 1.00 0.00 C ATOM 874 O THR A 55 36.984 38.853 22.212 1.00 0.00 O ATOM 875 CB THR A 55 35.653 38.845 19.175 1.00 0.00 C ATOM 876 OG1 THR A 55 34.694 38.271 20.034 1.00 0.00 O ATOM 877 CG2 THR A 55 35.537 38.149 17.821 1.00 0.00 C ATOM 0 H THR A 55 36.915 36.770 20.302 1.00 0.00 H new ATOM 0 HA THR A 55 37.759 39.291 19.176 1.00 0.00 H new ATOM 0 HB THR A 55 35.476 39.908 19.011 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.767 37.294 19.999 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.518 38.250 17.446 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.230 38.608 17.116 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.780 37.092 17.933 1.00 0.00 H new ATOM 885 N LEU A 56 36.810 40.814 21.144 1.00 0.00 N ATOM 886 CA LEU A 56 36.501 41.591 22.328 1.00 0.00 C ATOM 887 C LEU A 56 35.232 41.111 23.035 1.00 0.00 C ATOM 888 O LEU A 56 35.204 41.042 24.261 1.00 0.00 O ATOM 889 CB LEU A 56 36.377 43.062 21.944 1.00 0.00 C ATOM 890 CG LEU A 56 37.671 43.762 21.538 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.342 45.173 21.059 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.656 43.880 22.697 1.00 0.00 C ATOM 0 H LEU A 56 36.891 41.375 20.296 1.00 0.00 H new ATOM 0 HA LEU A 56 37.317 41.457 23.038 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.670 43.142 21.118 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.945 43.601 22.787 1.00 0.00 H new ATOM 0 HG LEU A 56 38.132 43.163 20.753 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.261 45.681 20.767 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.669 45.119 20.203 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.861 45.728 21.865 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.560 44.385 22.356 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.201 44.455 23.504 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.912 42.885 23.060 1.00 0.00 H new ATOM 904 N SER A 57 34.210 40.703 22.288 1.00 0.00 N ATOM 905 CA SER A 57 32.986 40.137 22.819 1.00 0.00 C ATOM 906 C SER A 57 33.165 38.790 23.524 1.00 0.00 C ATOM 907 O SER A 57 32.384 38.462 24.415 1.00 0.00 O ATOM 908 CB SER A 57 31.918 40.022 21.734 1.00 0.00 C ATOM 909 OG SER A 57 32.183 39.005 20.795 1.00 0.00 O ATOM 0 H SER A 57 34.216 40.761 21.270 1.00 0.00 H new ATOM 0 HA SER A 57 32.660 40.840 23.586 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.953 39.831 22.203 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.836 40.976 21.213 1.00 0.00 H new ATOM 0 HG SER A 57 33.151 38.925 20.664 1.00 0.00 H new ATOM 915 N ASP A 58 34.213 38.031 23.218 1.00 0.00 N ATOM 916 CA ASP A 58 34.516 36.788 23.897 1.00 0.00 C ATOM 917 C ASP A 58 35.091 36.990 25.300 1.00 0.00 C ATOM 918 O ASP A 58 35.138 36.043 26.082 1.00 0.00 O ATOM 919 CB ASP A 58 35.413 35.903 23.035 1.00 0.00 C ATOM 920 CG ASP A 58 34.760 35.528 21.703 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.628 34.998 21.704 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.379 35.779 20.646 1.00 0.00 O ATOM 0 H ASP A 58 34.879 38.269 22.483 1.00 0.00 H new ATOM 0 HA ASP A 58 33.567 36.272 24.043 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.352 36.421 22.842 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.658 34.994 23.585 1.00 0.00 H new ATOM 927 N TYR A 59 35.479 38.212 25.653 1.00 0.00 N ATOM 928 CA TYR A 59 35.864 38.624 26.988 1.00 0.00 C ATOM 929 C TYR A 59 34.914 39.658 27.596 1.00 0.00 C ATOM 930 O TYR A 59 35.154 40.122 28.708 1.00 0.00 O ATOM 931 CB TYR A 59 37.299 39.141 26.963 1.00 0.00 C ATOM 932 CG TYR A 59 38.339 38.207 26.394 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.995 37.280 27.215 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.682 38.296 25.039 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.007 36.464 26.695 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.686 37.479 24.507 1.00 0.00 C ATOM 937 CZ TYR A 59 40.367 36.567 25.337 1.00 0.00 C ATOM 938 OH TYR A 59 41.350 35.784 24.807 1.00 0.00 O ATOM 0 H TYR A 59 35.534 38.975 24.978 1.00 0.00 H new ATOM 0 HA TYR A 59 35.799 37.749 27.635 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.319 40.066 26.387 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.589 39.394 27.983 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.718 37.194 28.255 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.168 39.000 24.401 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.512 35.756 27.335 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.939 37.548 23.459 1.00 0.00 H new ATOM 0 HH TYR A 59 42.147 35.829 25.376 1.00 0.00 H new ATOM 948 N ASN A 60 33.866 40.056 26.878 1.00 0.00 N ATOM 949 CA ASN A 60 32.951 41.130 27.206 1.00 0.00 C ATOM 950 C ASN A 60 33.642 42.405 27.694 1.00 0.00 C ATOM 951 O ASN A 60 33.356 42.923 28.771 1.00 0.00 O ATOM 952 CB ASN A 60 31.830 40.622 28.107 1.00 0.00 C ATOM 953 CG ASN A 60 30.676 41.615 28.273 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.561 42.632 27.593 1.00 0.00 O ATOM 955 ND2 ASN A 60 29.764 41.317 29.194 1.00 0.00 N ATOM 0 H ASN A 60 33.624 39.603 25.997 1.00 0.00 H new ATOM 0 HA ASN A 60 32.479 41.457 26.280 1.00 0.00 H new ATOM 0 HB2 ASN A 60 31.440 39.691 27.697 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.242 40.390 29.089 1.00 0.00 H new ATOM 0 HD21 ASN A 60 28.965 41.934 29.338 1.00 0.00 H new ATOM 0 HD22 ASN A 60 29.864 40.472 29.756 1.00 0.00 H new ATOM 962 N ILE A 61 34.575 42.901 26.886 1.00 0.00 N ATOM 963 CA ILE A 61 35.191 44.202 27.047 1.00 0.00 C ATOM 964 C ILE A 61 34.220 45.276 26.551 1.00 0.00 C ATOM 965 O ILE A 61 33.569 45.094 25.525 1.00 0.00 O ATOM 966 CB ILE A 61 36.545 44.221 26.343 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.527 43.292 27.050 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.134 45.626 26.259 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.690 42.825 26.178 1.00 0.00 C ATOM 0 H ILE A 61 34.930 42.388 26.079 1.00 0.00 H new ATOM 0 HA ILE A 61 35.393 44.417 28.096 1.00 0.00 H new ATOM 0 HB ILE A 61 36.378 43.870 25.325 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.927 43.804 27.925 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.986 42.418 27.412 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.097 45.587 25.750 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.455 46.272 25.702 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.271 46.024 27.265 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.339 42.169 26.758 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.303 42.282 25.316 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.259 43.690 25.837 1.00 0.00 H new ATOM 981 N GLN A 62 34.099 46.379 27.283 1.00 0.00 N ATOM 982 CA GLN A 62 33.197 47.480 27.006 1.00 0.00 C ATOM 983 C GLN A 62 33.915 48.829 26.935 1.00 0.00 C ATOM 984 O GLN A 62 35.095 48.932 27.263 1.00 0.00 O ATOM 985 CB GLN A 62 32.079 47.482 28.045 1.00 0.00 C ATOM 986 CG GLN A 62 31.180 46.258 27.892 1.00 0.00 C ATOM 987 CD GLN A 62 29.979 46.217 28.840 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.615 47.174 29.519 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.286 45.083 28.887 1.00 0.00 N ATOM 0 H GLN A 62 34.656 46.532 28.124 1.00 0.00 H new ATOM 0 HA GLN A 62 32.766 47.331 26.016 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.510 47.497 29.046 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.484 48.389 27.940 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.815 46.219 26.866 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.780 45.362 28.051 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.579 44.282 28.327 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.461 45.014 29.483 1.00 0.00 H new ATOM 998 N LYS A 63 33.211 49.868 26.495 1.00 0.00 N ATOM 999 CA LYS A 63 33.692 51.229 26.373 1.00 0.00 C ATOM 1000 C LYS A 63 34.459 51.738 27.596 1.00 0.00 C ATOM 1001 O LYS A 63 34.168 51.348 28.725 1.00 0.00 O ATOM 1002 CB LYS A 63 32.534 52.154 26.012 1.00 0.00 C ATOM 1003 CG LYS A 63 31.521 52.391 27.129 1.00 0.00 C ATOM 1004 CD LYS A 63 30.337 53.204 26.613 1.00 0.00 C ATOM 1005 CE LYS A 63 29.286 53.491 27.681 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.759 54.438 28.703 1.00 0.00 N ATOM 0 H LYS A 63 32.239 49.772 26.200 1.00 0.00 H new ATOM 0 HA LYS A 63 34.427 51.230 25.568 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.941 53.116 25.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.011 51.737 25.151 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.171 51.435 27.519 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.999 52.917 27.955 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.703 54.149 26.211 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.869 52.666 25.788 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.391 53.893 27.206 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.999 52.556 28.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.007 54.597 29.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.597 54.046 29.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.008 55.341 28.251 1.00 0.00 H new ATOM 1020 N GLU A 64 35.445 52.601 27.372 1.00 0.00 N ATOM 1021 CA GLU A 64 36.337 53.162 28.366 1.00 0.00 C ATOM 1022 C GLU A 64 37.215 52.175 29.137 1.00 0.00 C ATOM 1023 O GLU A 64 37.979 52.600 30.000 1.00 0.00 O ATOM 1024 CB GLU A 64 35.615 54.130 29.300 1.00 0.00 C ATOM 1025 CG GLU A 64 35.005 55.342 28.603 1.00 0.00 C ATOM 1026 CD GLU A 64 34.332 56.273 29.613 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.964 57.243 30.085 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.138 56.058 29.913 1.00 0.00 O ATOM 0 H GLU A 64 35.650 52.944 26.434 1.00 0.00 H new ATOM 0 HA GLU A 64 37.056 53.719 27.765 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.825 53.591 29.822 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.318 54.477 30.057 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.781 55.885 28.064 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.275 55.012 27.864 1.00 0.00 H new ATOM 1035 N SER A 65 37.200 50.881 28.827 1.00 0.00 N ATOM 1036 CA SER A 65 38.119 49.922 29.407 1.00 0.00 C ATOM 1037 C SER A 65 39.577 50.206 29.039 1.00 0.00 C ATOM 1038 O SER A 65 39.854 50.615 27.913 1.00 0.00 O ATOM 1039 CB SER A 65 37.808 48.491 28.979 1.00 0.00 C ATOM 1040 OG SER A 65 36.493 48.130 29.335 1.00 0.00 O ATOM 0 H SER A 65 36.544 50.472 28.162 1.00 0.00 H new ATOM 0 HA SER A 65 37.985 50.028 30.484 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.936 48.395 27.901 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.516 47.806 29.446 1.00 0.00 H new ATOM 0 HG SER A 65 35.858 48.579 28.739 1.00 0.00 H new ATOM 1046 N THR A 66 40.512 49.922 29.940 1.00 0.00 N ATOM 1047 CA THR A 66 41.936 49.995 29.682 1.00 0.00 C ATOM 1048 C THR A 66 42.536 48.594 29.540 1.00 0.00 C ATOM 1049 O THR A 66 42.439 47.787 30.461 1.00 0.00 O ATOM 1050 CB THR A 66 42.671 50.783 30.764 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.234 52.123 30.781 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.176 50.862 30.532 1.00 0.00 C ATOM 0 H THR A 66 40.290 49.628 30.891 1.00 0.00 H new ATOM 0 HA THR A 66 42.066 50.528 28.740 1.00 0.00 H new ATOM 0 HB THR A 66 42.457 50.251 31.691 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.713 52.614 31.481 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.638 51.435 31.336 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.595 49.856 30.516 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.372 51.352 29.578 1.00 0.00 H new ATOM 1060 N LEU A 67 43.193 48.321 28.417 1.00 0.00 N ATOM 1061 CA LEU A 67 43.997 47.136 28.193 1.00 0.00 C ATOM 1062 C LEU A 67 45.465 47.414 28.520 1.00 0.00 C ATOM 1063 O LEU A 67 45.915 48.555 28.429 1.00 0.00 O ATOM 1064 CB LEU A 67 43.833 46.644 26.758 1.00 0.00 C ATOM 1065 CG LEU A 67 42.402 46.521 26.241 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.409 45.921 24.838 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.513 45.649 27.121 1.00 0.00 C ATOM 0 H LEU A 67 43.176 48.946 27.611 1.00 0.00 H new ATOM 0 HA LEU A 67 43.650 46.347 28.860 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.377 47.322 26.100 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.311 45.668 26.675 1.00 0.00 H new ATOM 0 HG LEU A 67 41.992 47.531 26.245 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.385 45.835 24.474 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.979 46.566 24.169 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.868 44.933 24.867 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.511 45.605 26.695 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.929 44.643 27.175 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.463 46.075 28.123 1.00 0.00 H new ATOM 1079 N HIS A 68 46.238 46.390 28.872 1.00 0.00 N ATOM 1080 CA HIS A 68 47.644 46.520 29.196 1.00 0.00 C ATOM 1081 C HIS A 68 48.510 45.831 28.138 1.00 0.00 C ATOM 1082 O HIS A 68 48.157 44.753 27.665 1.00 0.00 O ATOM 1083 CB HIS A 68 47.905 45.985 30.601 1.00 0.00 C ATOM 1084 CG HIS A 68 47.298 46.829 31.687 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.018 47.498 32.676 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.961 47.029 31.917 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.123 48.117 33.448 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.877 47.849 33.024 1.00 0.00 N ATOM 0 H HIS A 68 45.893 45.433 28.939 1.00 0.00 H new ATOM 0 HA HIS A 68 47.921 47.574 29.189 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.509 44.972 30.675 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.981 45.919 30.762 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.138 46.625 31.346 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.366 48.744 34.293 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.015 48.193 33.448 1.00 0.00 H new ATOM 1096 N LEU A 69 49.625 46.451 27.765 1.00 0.00 N ATOM 1097 CA LEU A 69 50.494 46.022 26.686 1.00 0.00 C ATOM 1098 C LEU A 69 51.913 45.747 27.186 1.00 0.00 C ATOM 1099 O LEU A 69 52.477 46.546 27.930 1.00 0.00 O ATOM 1100 CB LEU A 69 50.448 47.087 25.593 1.00 0.00 C ATOM 1101 CG LEU A 69 51.424 46.926 24.432 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.234 45.644 23.628 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.276 48.087 23.454 1.00 0.00 C ATOM 0 H LEU A 69 49.957 47.298 28.227 1.00 0.00 H new ATOM 0 HA LEU A 69 50.147 45.075 26.273 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.437 47.112 25.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.629 48.057 26.056 1.00 0.00 H new ATOM 0 HG LEU A 69 52.409 46.896 24.898 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.967 45.608 22.822 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.369 44.782 24.281 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.229 45.625 23.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.978 47.960 22.630 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.258 48.107 23.064 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.486 49.025 23.968 1.00 0.00 H new ATOM 1115 N VAL A 70 52.518 44.663 26.710 1.00 0.00 N ATOM 1116 CA VAL A 70 53.927 44.351 26.836 1.00 0.00 C ATOM 1117 C VAL A 70 54.516 44.082 25.450 1.00 0.00 C ATOM 1118 O VAL A 70 53.886 43.426 24.624 1.00 0.00 O ATOM 1119 CB VAL A 70 54.166 43.181 27.785 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.656 42.964 28.034 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.519 43.404 29.150 1.00 0.00 C ATOM 0 H VAL A 70 52.006 43.944 26.200 1.00 0.00 H new ATOM 0 HA VAL A 70 54.436 45.210 27.274 1.00 0.00 H new ATOM 0 HB VAL A 70 53.721 42.314 27.296 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.793 42.123 28.714 1.00 0.00 H new ATOM 0 HG12 VAL A 70 56.156 42.751 27.089 1.00 0.00 H new ATOM 0 HG13 VAL A 70 56.086 43.863 28.477 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.716 42.545 29.791 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.935 44.301 29.608 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.443 43.525 29.027 1.00 0.00 H new