USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 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= 0.699 K(o=1.6,f=0.39) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.856 K(o=1.6,f=0.39) USER MOD Set 2.1: A 55 THR OG1 : rot -46:sc= 2.2 USER MOD Set 2.2: A 57 SER OG : rot -30:sc= 1.13 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.699 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.782 K(o=1.5,f=0) USER MOD Set 4.1: A 6 LYS NZ :NH3+ 172:sc= 0.858 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 151:sc= 0.759 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.065) USER MOD Single : A 1 MET N :NH3+ 179:sc= 2.17 (180deg=2.1) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.0533 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= 1.21 (180deg=0.184) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.87 (180deg=0.814) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.17) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= 1.33 K(o=1.3,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 2.13 K(o=2.1,f=-3.8!) USER MOD Single : A 59 TYR OH : rot 151:sc= 0.515 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 62:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.730 51.944 20.083 1.00 0.00 N ATOM 2 CA MET A 1 33.100 52.284 21.464 1.00 0.00 C ATOM 3 C MET A 1 34.587 52.636 21.536 1.00 0.00 C ATOM 4 O MET A 1 35.360 52.144 20.717 1.00 0.00 O ATOM 5 CB MET A 1 32.756 51.154 22.432 1.00 0.00 C ATOM 6 CG MET A 1 33.554 49.876 22.192 1.00 0.00 C ATOM 7 SD MET A 1 33.119 48.505 23.290 1.00 0.00 S ATOM 8 CE MET A 1 34.245 47.251 22.630 1.00 0.00 C ATOM 0 H1 MET A 1 31.722 51.690 20.046 1.00 0.00 H new ATOM 0 H2 MET A 1 32.903 52.763 19.466 1.00 0.00 H new ATOM 0 H3 MET A 1 33.302 51.138 19.759 1.00 0.00 H new ATOM 0 HA MET A 1 32.519 53.154 21.768 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.932 51.495 23.452 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.693 50.929 22.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.407 49.559 21.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.615 50.097 22.310 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.048 46.294 23.114 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.091 47.153 21.555 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.275 47.549 22.823 1.00 0.00 H new ATOM 20 N GLN A 2 35.002 53.418 22.528 1.00 0.00 N ATOM 21 CA GLN A 2 36.397 53.657 22.839 1.00 0.00 C ATOM 22 C GLN A 2 36.923 52.622 23.835 1.00 0.00 C ATOM 23 O GLN A 2 36.224 52.263 24.781 1.00 0.00 O ATOM 24 CB GLN A 2 36.596 55.080 23.354 1.00 0.00 C ATOM 25 CG GLN A 2 36.395 56.128 22.263 1.00 0.00 C ATOM 26 CD GLN A 2 36.452 57.568 22.774 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.815 57.867 23.910 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.065 58.537 21.949 1.00 0.00 N ATOM 0 H GLN A 2 34.360 53.911 23.148 1.00 0.00 H new ATOM 0 HA GLN A 2 36.976 53.549 21.922 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.897 55.269 24.169 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.600 55.177 23.766 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.159 55.993 21.497 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.430 55.960 21.784 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.760 58.310 21.003 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.073 59.507 22.263 1.00 0.00 H new ATOM 37 N ILE A 3 38.164 52.182 23.648 1.00 0.00 N ATOM 38 CA ILE A 3 38.940 51.433 24.615 1.00 0.00 C ATOM 39 C ILE A 3 40.342 52.024 24.768 1.00 0.00 C ATOM 40 O ILE A 3 40.827 52.722 23.879 1.00 0.00 O ATOM 41 CB ILE A 3 39.001 49.941 24.300 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.701 49.637 22.979 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.610 49.315 24.359 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.049 48.164 22.785 1.00 0.00 C ATOM 0 H ILE A 3 38.672 52.348 22.779 1.00 0.00 H new ATOM 0 HA ILE A 3 38.421 51.524 25.569 1.00 0.00 H new ATOM 0 HB ILE A 3 39.615 49.482 25.074 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.061 49.960 22.158 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.616 50.227 22.920 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.680 48.251 24.131 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.194 49.445 25.358 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.961 49.801 23.630 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.544 48.031 21.823 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.716 47.839 23.584 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.137 47.568 22.809 1.00 0.00 H new ATOM 56 N PHE A 4 41.014 51.712 25.872 1.00 0.00 N ATOM 57 CA PHE A 4 42.297 52.277 26.243 1.00 0.00 C ATOM 58 C PHE A 4 43.373 51.200 26.393 1.00 0.00 C ATOM 59 O PHE A 4 43.133 50.153 26.988 1.00 0.00 O ATOM 60 CB PHE A 4 42.126 53.062 27.540 1.00 0.00 C ATOM 61 CG PHE A 4 41.028 54.099 27.509 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.085 55.160 26.598 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.938 53.990 28.380 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.049 56.101 26.549 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.905 54.934 28.337 1.00 0.00 C ATOM 66 CZ PHE A 4 38.955 55.987 27.415 1.00 0.00 C ATOM 0 H PHE A 4 40.665 51.036 26.552 1.00 0.00 H new ATOM 0 HA PHE A 4 42.634 52.942 25.448 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.922 52.361 28.349 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.068 53.557 27.776 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.930 55.253 25.931 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.894 53.175 29.087 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.094 56.916 25.842 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.069 54.850 29.015 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.152 56.708 27.372 1.00 0.00 H new ATOM 76 N VAL A 5 44.581 51.462 25.902 1.00 0.00 N ATOM 77 CA VAL A 5 45.745 50.615 26.069 1.00 0.00 C ATOM 78 C VAL A 5 46.858 51.418 26.747 1.00 0.00 C ATOM 79 O VAL A 5 47.237 52.470 26.240 1.00 0.00 O ATOM 80 CB VAL A 5 46.221 50.048 24.735 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.551 49.306 24.843 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.220 49.072 24.122 1.00 0.00 C ATOM 0 H VAL A 5 44.777 52.302 25.358 1.00 0.00 H new ATOM 0 HA VAL A 5 45.474 49.767 26.698 1.00 0.00 H new ATOM 0 HB VAL A 5 46.334 50.927 24.101 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.836 48.926 23.862 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.320 49.988 25.206 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.448 48.473 25.538 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.609 48.699 23.174 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.063 48.236 24.804 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.273 49.583 23.949 1.00 0.00 H new ATOM 92 N LYS A 6 47.394 50.915 27.855 1.00 0.00 N ATOM 93 CA LYS A 6 48.599 51.418 28.486 1.00 0.00 C ATOM 94 C LYS A 6 49.824 50.829 27.785 1.00 0.00 C ATOM 95 O LYS A 6 49.998 49.612 27.790 1.00 0.00 O ATOM 96 CB LYS A 6 48.595 51.093 29.977 1.00 0.00 C ATOM 97 CG LYS A 6 47.414 51.632 30.779 1.00 0.00 C ATOM 98 CD LYS A 6 47.360 53.153 30.883 1.00 0.00 C ATOM 99 CE LYS A 6 46.142 53.572 31.701 1.00 0.00 C ATOM 100 NZ LYS A 6 46.119 55.024 31.930 1.00 0.00 N ATOM 0 H LYS A 6 46.985 50.122 28.350 1.00 0.00 H new ATOM 0 HA LYS A 6 48.636 52.503 28.390 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.622 50.009 30.092 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.514 51.483 30.415 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.490 51.279 30.322 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.453 51.213 31.785 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.270 53.527 31.351 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.310 53.593 29.887 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.232 53.270 31.181 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.149 53.052 32.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.215 55.292 32.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.902 55.288 32.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.224 55.520 31.022 1.00 0.00 H new ATOM 168 N LYS A 11 52.067 55.421 28.504 1.00 0.00 N ATOM 169 CA LYS A 11 51.139 56.337 27.871 1.00 0.00 C ATOM 170 C LYS A 11 49.825 55.601 27.599 1.00 0.00 C ATOM 171 O LYS A 11 49.853 54.427 27.241 1.00 0.00 O ATOM 172 CB LYS A 11 51.752 56.880 26.583 1.00 0.00 C ATOM 173 CG LYS A 11 50.999 58.086 26.032 1.00 0.00 C ATOM 174 CD LYS A 11 51.512 58.573 24.679 1.00 0.00 C ATOM 175 CE LYS A 11 51.324 57.533 23.578 1.00 0.00 C ATOM 176 NZ LYS A 11 51.675 58.071 22.255 1.00 0.00 N ATOM 0 HA LYS A 11 50.934 57.184 28.525 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.789 57.159 26.769 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.764 56.091 25.831 1.00 0.00 H new ATOM 0 HG2 LYS A 11 49.943 57.831 25.938 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.067 58.903 26.750 1.00 0.00 H new ATOM 0 HD2 LYS A 11 50.989 59.489 24.403 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.570 58.823 24.763 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.942 56.661 23.792 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.288 57.195 23.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.535 57.336 21.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.068 58.888 22.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.671 58.370 22.255 1.00 0.00 H new ATOM 190 N THR A 12 48.679 56.269 27.693 1.00 0.00 N ATOM 191 CA THR A 12 47.446 55.735 27.150 1.00 0.00 C ATOM 192 C THR A 12 47.369 56.000 25.646 1.00 0.00 C ATOM 193 O THR A 12 47.579 57.131 25.212 1.00 0.00 O ATOM 194 CB THR A 12 46.210 56.308 27.839 1.00 0.00 C ATOM 195 OG1 THR A 12 46.297 56.092 29.229 1.00 0.00 O ATOM 196 CG2 THR A 12 44.932 55.598 27.397 1.00 0.00 C ATOM 0 H THR A 12 48.584 57.180 28.141 1.00 0.00 H new ATOM 0 HA THR A 12 47.457 54.661 27.335 1.00 0.00 H new ATOM 0 HB THR A 12 46.173 57.366 27.578 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.815 56.803 29.701 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.076 56.036 27.911 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.806 55.712 26.320 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.000 54.539 27.644 1.00 0.00 H new ATOM 204 N ILE A 13 46.995 54.999 24.855 1.00 0.00 N ATOM 205 CA ILE A 13 46.470 55.185 23.517 1.00 0.00 C ATOM 206 C ILE A 13 44.999 54.769 23.469 1.00 0.00 C ATOM 207 O ILE A 13 44.623 53.715 23.977 1.00 0.00 O ATOM 208 CB ILE A 13 47.336 54.534 22.441 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.479 53.025 22.615 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.685 55.244 22.386 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.335 52.332 21.559 1.00 0.00 C ATOM 0 H ILE A 13 47.051 54.020 25.136 1.00 0.00 H new ATOM 0 HA ILE A 13 46.512 56.247 23.277 1.00 0.00 H new ATOM 0 HB ILE A 13 46.832 54.653 21.482 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.909 52.827 23.597 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.485 52.578 22.606 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.308 54.783 21.619 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.533 56.296 22.146 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.180 55.161 23.354 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.376 51.263 21.768 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.897 52.492 20.574 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.343 52.745 21.580 1.00 0.00 H new ATOM 223 N THR A 14 44.162 55.610 22.868 1.00 0.00 N ATOM 224 CA THR A 14 42.744 55.389 22.670 1.00 0.00 C ATOM 225 C THR A 14 42.509 54.775 21.288 1.00 0.00 C ATOM 226 O THR A 14 43.167 55.170 20.328 1.00 0.00 O ATOM 227 CB THR A 14 41.962 56.693 22.801 1.00 0.00 C ATOM 228 OG1 THR A 14 42.291 57.357 24.000 1.00 0.00 O ATOM 229 CG2 THR A 14 40.450 56.485 22.819 1.00 0.00 C ATOM 0 H THR A 14 44.475 56.504 22.490 1.00 0.00 H new ATOM 0 HA THR A 14 42.390 54.704 23.440 1.00 0.00 H new ATOM 0 HB THR A 14 42.238 57.279 21.925 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.818 56.936 24.748 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.951 57.449 22.914 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.138 56.005 21.892 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.180 55.852 23.664 1.00 0.00 H new ATOM 237 N LEU A 15 41.563 53.847 21.180 1.00 0.00 N ATOM 238 CA LEU A 15 41.107 53.286 19.924 1.00 0.00 C ATOM 239 C LEU A 15 39.580 53.219 19.879 1.00 0.00 C ATOM 240 O LEU A 15 38.954 52.791 20.848 1.00 0.00 O ATOM 241 CB LEU A 15 41.701 51.896 19.713 1.00 0.00 C ATOM 242 CG LEU A 15 43.206 51.844 19.467 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.658 50.391 19.354 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.596 52.560 18.176 1.00 0.00 C ATOM 0 H LEU A 15 41.082 53.457 21.991 1.00 0.00 H new ATOM 0 HA LEU A 15 41.446 53.939 19.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.475 51.289 20.589 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.198 51.432 18.865 1.00 0.00 H new ATOM 0 HG LEU A 15 43.688 52.342 20.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.733 50.357 19.178 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.425 49.864 20.279 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.139 49.912 18.523 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.676 52.500 18.038 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.095 52.086 17.332 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.296 53.606 18.235 1.00 0.00 H new ATOM 256 N GLU A 16 38.998 53.592 18.743 1.00 0.00 N ATOM 257 CA GLU A 16 37.620 53.313 18.392 1.00 0.00 C ATOM 258 C GLU A 16 37.538 51.913 17.782 1.00 0.00 C ATOM 259 O GLU A 16 38.229 51.586 16.819 1.00 0.00 O ATOM 260 CB GLU A 16 37.094 54.411 17.473 1.00 0.00 C ATOM 261 CG GLU A 16 35.711 54.198 16.866 1.00 0.00 C ATOM 262 CD GLU A 16 34.556 54.490 17.827 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.376 55.661 18.224 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.756 53.573 18.113 1.00 0.00 O ATOM 0 H GLU A 16 39.494 54.114 18.021 1.00 0.00 H new ATOM 0 HA GLU A 16 36.979 53.317 19.273 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.078 55.345 18.035 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.806 54.541 16.658 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.609 54.836 15.988 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.632 53.167 16.522 1.00 0.00 H new ATOM 271 N VAL A 17 36.707 51.070 18.385 1.00 0.00 N ATOM 272 CA VAL A 17 36.555 49.657 18.102 1.00 0.00 C ATOM 273 C VAL A 17 35.083 49.245 18.160 1.00 0.00 C ATOM 274 O VAL A 17 34.247 49.975 18.689 1.00 0.00 O ATOM 275 CB VAL A 17 37.373 48.807 19.070 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.864 49.129 19.038 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.902 48.940 20.516 1.00 0.00 C ATOM 0 H VAL A 17 36.084 51.380 19.131 1.00 0.00 H new ATOM 0 HA VAL A 17 36.929 49.484 17.093 1.00 0.00 H new ATOM 0 HB VAL A 17 37.215 47.786 18.722 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.389 48.491 19.748 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.253 48.953 18.035 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.016 50.174 19.308 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.520 48.313 21.159 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.987 49.980 20.832 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.862 48.622 20.591 1.00 0.00 H new ATOM 287 N GLU A 18 34.773 48.045 17.680 1.00 0.00 N ATOM 288 CA GLU A 18 33.493 47.385 17.843 1.00 0.00 C ATOM 289 C GLU A 18 33.638 46.111 18.678 1.00 0.00 C ATOM 290 O GLU A 18 34.665 45.442 18.585 1.00 0.00 O ATOM 291 CB GLU A 18 32.903 47.061 16.473 1.00 0.00 C ATOM 292 CG GLU A 18 32.357 48.279 15.735 1.00 0.00 C ATOM 293 CD GLU A 18 31.090 48.812 16.410 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.104 49.937 16.954 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.083 48.073 16.428 1.00 0.00 O ATOM 0 H GLU A 18 35.438 47.487 17.145 1.00 0.00 H new ATOM 0 HA GLU A 18 32.818 48.058 18.373 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.671 46.590 15.859 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.101 46.333 16.596 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.115 49.062 15.709 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.137 48.013 14.701 1.00 0.00 H new ATOM 302 N PRO A 19 32.636 45.711 19.456 1.00 0.00 N ATOM 303 CA PRO A 19 32.701 44.522 20.282 1.00 0.00 C ATOM 304 C PRO A 19 32.890 43.228 19.489 1.00 0.00 C ATOM 305 O PRO A 19 33.372 42.228 20.016 1.00 0.00 O ATOM 306 CB PRO A 19 31.391 44.518 21.068 1.00 0.00 C ATOM 307 CG PRO A 19 30.421 45.281 20.170 1.00 0.00 C ATOM 308 CD PRO A 19 31.341 46.348 19.587 1.00 0.00 C ATOM 0 HA PRO A 19 33.578 44.554 20.928 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.043 43.503 21.260 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.505 45.004 22.037 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.986 44.645 19.399 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.592 45.713 20.731 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.975 46.697 18.621 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.396 47.219 20.240 1.00 0.00 H new ATOM 316 N SER A 20 32.543 43.272 18.205 1.00 0.00 N ATOM 317 CA SER A 20 32.674 42.233 17.204 1.00 0.00 C ATOM 318 C SER A 20 34.054 42.134 16.550 1.00 0.00 C ATOM 319 O SER A 20 34.270 41.216 15.763 1.00 0.00 O ATOM 320 CB SER A 20 31.600 42.486 16.150 1.00 0.00 C ATOM 321 OG SER A 20 31.632 43.829 15.719 1.00 0.00 O ATOM 0 H SER A 20 32.126 44.115 17.810 1.00 0.00 H new ATOM 0 HA SER A 20 32.548 41.273 17.705 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.754 41.822 15.299 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.618 42.254 16.561 1.00 0.00 H new ATOM 0 HG SER A 20 30.938 43.972 15.042 1.00 0.00 H new ATOM 327 N ASP A 21 34.989 43.034 16.842 1.00 0.00 N ATOM 328 CA ASP A 21 36.327 43.016 16.286 1.00 0.00 C ATOM 329 C ASP A 21 37.188 41.918 16.913 1.00 0.00 C ATOM 330 O ASP A 21 37.146 41.708 18.123 1.00 0.00 O ATOM 331 CB ASP A 21 37.024 44.357 16.489 1.00 0.00 C ATOM 332 CG ASP A 21 36.447 45.509 15.662 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.877 45.266 14.577 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.676 46.678 16.042 1.00 0.00 O ATOM 0 H ASP A 21 34.829 43.809 17.485 1.00 0.00 H new ATOM 0 HA ASP A 21 36.216 42.816 15.220 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.970 44.623 17.545 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.080 44.244 16.242 1.00 0.00 H new ATOM 339 N THR A 22 38.010 41.250 16.106 1.00 0.00 N ATOM 340 CA THR A 22 38.990 40.294 16.577 1.00 0.00 C ATOM 341 C THR A 22 40.248 40.964 17.134 1.00 0.00 C ATOM 342 O THR A 22 40.587 42.080 16.746 1.00 0.00 O ATOM 343 CB THR A 22 39.379 39.264 15.519 1.00 0.00 C ATOM 344 OG1 THR A 22 39.978 39.854 14.387 1.00 0.00 O ATOM 345 CG2 THR A 22 38.181 38.443 15.049 1.00 0.00 C ATOM 0 H THR A 22 38.008 41.365 15.092 1.00 0.00 H new ATOM 0 HA THR A 22 38.492 39.767 17.391 1.00 0.00 H new ATOM 0 HB THR A 22 40.101 38.612 16.010 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.211 39.157 13.739 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.505 37.724 14.297 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.749 37.912 15.897 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.432 39.107 14.617 1.00 0.00 H new ATOM 353 N ILE A 23 40.966 40.275 18.016 1.00 0.00 N ATOM 354 CA ILE A 23 42.154 40.800 18.658 1.00 0.00 C ATOM 355 C ILE A 23 43.206 41.247 17.641 1.00 0.00 C ATOM 356 O ILE A 23 43.799 42.312 17.802 1.00 0.00 O ATOM 357 CB ILE A 23 42.726 39.805 19.663 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.712 39.257 20.663 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.893 40.424 20.424 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.883 40.292 21.417 1.00 0.00 C ATOM 0 H ILE A 23 40.731 39.325 18.305 1.00 0.00 H new ATOM 0 HA ILE A 23 41.855 41.690 19.211 1.00 0.00 H new ATOM 0 HB ILE A 23 43.058 38.958 19.062 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.030 38.594 20.131 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.245 38.648 21.393 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.288 39.700 21.136 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.677 40.706 19.721 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.550 41.309 20.959 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.199 39.785 22.097 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.545 40.943 21.987 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.311 40.888 20.706 1.00 0.00 H new ATOM 372 N GLU A 24 43.398 40.514 16.548 1.00 0.00 N ATOM 373 CA GLU A 24 44.340 40.843 15.497 1.00 0.00 C ATOM 374 C GLU A 24 44.044 42.182 14.819 1.00 0.00 C ATOM 375 O GLU A 24 44.972 42.934 14.529 1.00 0.00 O ATOM 376 CB GLU A 24 44.383 39.750 14.432 1.00 0.00 C ATOM 377 CG GLU A 24 44.658 38.350 14.972 1.00 0.00 C ATOM 378 CD GLU A 24 43.349 37.585 15.180 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.638 37.861 16.169 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.003 36.739 14.327 1.00 0.00 O ATOM 0 H GLU A 24 42.885 39.651 16.369 1.00 0.00 H new ATOM 0 HA GLU A 24 45.308 40.923 15.991 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.431 39.740 13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.153 40.002 13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.297 37.805 14.277 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.199 38.418 15.916 1.00 0.00 H new ATOM 387 N ASN A 25 42.770 42.510 14.624 1.00 0.00 N ATOM 388 CA ASN A 25 42.344 43.781 14.072 1.00 0.00 C ATOM 389 C ASN A 25 42.543 44.946 15.044 1.00 0.00 C ATOM 390 O ASN A 25 42.700 46.082 14.602 1.00 0.00 O ATOM 391 CB ASN A 25 40.902 43.669 13.584 1.00 0.00 C ATOM 392 CG ASN A 25 40.816 42.974 12.224 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.005 43.590 11.176 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.575 41.667 12.195 1.00 0.00 N ATOM 0 H ASN A 25 41.996 41.886 14.851 1.00 0.00 H new ATOM 0 HA ASN A 25 42.982 44.012 13.219 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.313 43.114 14.314 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.464 44.665 13.512 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.547 41.173 11.303 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.419 41.158 13.065 1.00 0.00 H new ATOM 401 N VAL A 26 42.615 44.691 16.347 1.00 0.00 N ATOM 402 CA VAL A 26 43.017 45.678 17.329 1.00 0.00 C ATOM 403 C VAL A 26 44.539 45.817 17.357 1.00 0.00 C ATOM 404 O VAL A 26 45.045 46.937 17.334 1.00 0.00 O ATOM 405 CB VAL A 26 42.427 45.376 18.704 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.774 46.470 19.710 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.904 45.293 18.642 1.00 0.00 C ATOM 0 H VAL A 26 42.392 43.781 16.750 1.00 0.00 H new ATOM 0 HA VAL A 26 42.610 46.645 17.033 1.00 0.00 H new ATOM 0 HB VAL A 26 42.852 44.422 19.017 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.339 46.225 20.679 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.857 46.545 19.807 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.374 47.423 19.364 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.511 45.077 19.635 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.502 46.243 18.291 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.611 44.499 17.955 1.00 0.00 H new ATOM 417 N LYS A 27 45.291 44.722 17.298 1.00 0.00 N ATOM 418 CA LYS A 27 46.738 44.749 17.224 1.00 0.00 C ATOM 419 C LYS A 27 47.273 45.481 15.991 1.00 0.00 C ATOM 420 O LYS A 27 48.313 46.130 16.085 1.00 0.00 O ATOM 421 CB LYS A 27 47.323 43.342 17.284 1.00 0.00 C ATOM 422 CG LYS A 27 47.175 42.680 18.652 1.00 0.00 C ATOM 423 CD LYS A 27 48.138 41.503 18.774 1.00 0.00 C ATOM 424 CE LYS A 27 48.067 40.870 20.161 1.00 0.00 C ATOM 425 NZ LYS A 27 49.000 39.738 20.270 1.00 0.00 N ATOM 0 H LYS A 27 44.901 43.780 17.301 1.00 0.00 H new ATOM 0 HA LYS A 27 47.062 45.315 18.098 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.834 42.721 16.534 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.380 43.385 17.022 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.375 43.407 19.439 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.150 42.336 18.789 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.899 40.755 18.018 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.156 41.841 18.578 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.305 41.617 20.918 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.051 40.529 20.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.512 38.926 20.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.342 39.477 19.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.807 40.010 20.866 1.00 0.00 H new ATOM 439 N ALA A 28 46.560 45.443 14.869 1.00 0.00 N ATOM 440 CA ALA A 28 46.871 46.233 13.695 1.00 0.00 C ATOM 441 C ALA A 28 46.772 47.739 13.950 1.00 0.00 C ATOM 442 O ALA A 28 47.676 48.479 13.569 1.00 0.00 O ATOM 443 CB ALA A 28 45.955 45.795 12.556 1.00 0.00 C ATOM 0 H ALA A 28 45.738 44.851 14.754 1.00 0.00 H new ATOM 0 HA ALA A 28 47.911 46.054 13.423 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.177 46.381 11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.117 44.738 12.345 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.916 45.952 12.844 1.00 0.00 H new ATOM 449 N LYS A 29 45.754 48.189 14.678 1.00 0.00 N ATOM 450 CA LYS A 29 45.611 49.568 15.102 1.00 0.00 C ATOM 451 C LYS A 29 46.667 49.969 16.133 1.00 0.00 C ATOM 452 O LYS A 29 47.177 51.086 16.086 1.00 0.00 O ATOM 453 CB LYS A 29 44.204 49.818 15.637 1.00 0.00 C ATOM 454 CG LYS A 29 43.094 49.755 14.591 1.00 0.00 C ATOM 455 CD LYS A 29 41.719 49.956 15.221 1.00 0.00 C ATOM 456 CE LYS A 29 40.633 50.021 14.152 1.00 0.00 C ATOM 457 NZ LYS A 29 39.274 49.998 14.712 1.00 0.00 N ATOM 0 H LYS A 29 44.992 47.588 14.993 1.00 0.00 H new ATOM 0 HA LYS A 29 45.770 50.196 14.226 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.992 49.084 16.414 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.181 50.800 16.110 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.263 50.520 13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.125 48.791 14.084 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.508 49.138 15.910 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.714 50.876 15.806 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.763 50.930 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.753 49.180 13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.586 50.214 13.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.076 49.055 15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.198 50.709 15.467 1.00 0.00 H new ATOM 471 N ILE A 30 47.073 49.062 17.017 1.00 0.00 N ATOM 472 CA ILE A 30 48.173 49.271 17.936 1.00 0.00 C ATOM 473 C ILE A 30 49.505 49.369 17.191 1.00 0.00 C ATOM 474 O ILE A 30 50.310 50.233 17.534 1.00 0.00 O ATOM 475 CB ILE A 30 48.186 48.220 19.043 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.923 48.311 19.895 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.422 48.350 19.929 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.731 47.156 20.873 1.00 0.00 C ATOM 0 H ILE A 30 46.634 48.146 17.111 1.00 0.00 H new ATOM 0 HA ILE A 30 48.023 50.231 18.431 1.00 0.00 H new ATOM 0 HB ILE A 30 48.217 47.244 18.559 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.946 49.245 20.456 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.057 48.358 19.234 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.395 47.585 20.705 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.319 48.221 19.323 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.435 49.337 20.392 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.809 47.305 21.435 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.672 46.218 20.321 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.574 47.119 21.562 1.00 0.00 H new ATOM 490 N GLN A 31 49.738 48.608 16.126 1.00 0.00 N ATOM 491 CA GLN A 31 50.882 48.810 15.260 1.00 0.00 C ATOM 492 C GLN A 31 50.849 50.197 14.616 1.00 0.00 C ATOM 493 O GLN A 31 51.900 50.818 14.476 1.00 0.00 O ATOM 494 CB GLN A 31 50.985 47.688 14.231 1.00 0.00 C ATOM 495 CG GLN A 31 52.206 47.819 13.326 1.00 0.00 C ATOM 496 CD GLN A 31 52.260 46.811 12.176 1.00 0.00 C ATOM 497 OE1 GLN A 31 53.175 45.999 12.065 1.00 0.00 O ATOM 498 NE2 GLN A 31 51.332 46.873 11.225 1.00 0.00 N ATOM 0 H GLN A 31 49.135 47.835 15.844 1.00 0.00 H new ATOM 0 HA GLN A 31 51.787 48.771 15.866 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.025 46.730 14.749 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.084 47.681 13.618 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.226 48.826 12.910 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.105 47.706 13.932 1.00 0.00 H new ATOM 0 HE21 GLN A 31 50.566 47.542 11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 31 51.386 46.252 10.418 1.00 0.00 H new ATOM 507 N ASP A 32 49.683 50.739 14.272 1.00 0.00 N ATOM 508 CA ASP A 32 49.571 52.053 13.672 1.00 0.00 C ATOM 509 C ASP A 32 49.831 53.211 14.637 1.00 0.00 C ATOM 510 O ASP A 32 50.386 54.229 14.227 1.00 0.00 O ATOM 511 CB ASP A 32 48.212 52.191 12.993 1.00 0.00 C ATOM 512 CG ASP A 32 48.165 53.457 12.134 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.930 53.537 11.149 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.388 54.384 12.447 1.00 0.00 O ATOM 0 H ASP A 32 48.787 50.270 14.405 1.00 0.00 H new ATOM 0 HA ASP A 32 50.367 52.126 12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.019 51.316 12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.425 52.227 13.746 1.00 0.00 H new ATOM 519 N LYS A 33 49.464 53.085 15.910 1.00 0.00 N ATOM 520 CA LYS A 33 49.681 54.107 16.913 1.00 0.00 C ATOM 521 C LYS A 33 50.977 53.968 17.714 1.00 0.00 C ATOM 522 O LYS A 33 51.522 54.984 18.140 1.00 0.00 O ATOM 523 CB LYS A 33 48.466 54.225 17.829 1.00 0.00 C ATOM 524 CG LYS A 33 47.239 54.752 17.091 1.00 0.00 C ATOM 525 CD LYS A 33 46.196 55.303 18.060 1.00 0.00 C ATOM 526 CE LYS A 33 45.001 55.837 17.277 1.00 0.00 C ATOM 527 NZ LYS A 33 44.101 56.625 18.134 1.00 0.00 N ATOM 0 H LYS A 33 49.000 52.252 16.273 1.00 0.00 H new ATOM 0 HA LYS A 33 49.809 55.035 16.356 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.239 53.249 18.257 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.702 54.890 18.660 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.540 55.535 16.395 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.798 53.951 16.498 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.873 54.520 18.746 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.632 56.098 18.665 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.353 56.456 16.452 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.451 55.004 16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.309 56.987 17.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.733 56.022 18.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.625 57.424 18.546 1.00 0.00 H new ATOM 541 N GLU A 34 51.495 52.761 17.920 1.00 0.00 N ATOM 542 CA GLU A 34 52.666 52.496 18.730 1.00 0.00 C ATOM 543 C GLU A 34 53.858 51.936 17.950 1.00 0.00 C ATOM 544 O GLU A 34 54.985 52.024 18.432 1.00 0.00 O ATOM 545 CB GLU A 34 52.252 51.603 19.896 1.00 0.00 C ATOM 546 CG GLU A 34 53.300 51.371 20.981 1.00 0.00 C ATOM 547 CD GLU A 34 53.834 52.653 21.625 1.00 0.00 C ATOM 548 OE1 GLU A 34 55.015 52.677 22.033 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.082 53.642 21.759 1.00 0.00 O ATOM 0 H GLU A 34 51.094 51.917 17.512 1.00 0.00 H new ATOM 0 HA GLU A 34 53.039 53.448 19.108 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.368 52.039 20.363 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.956 50.634 19.495 1.00 0.00 H new ATOM 0 HG2 GLU A 34 52.868 50.741 21.758 1.00 0.00 H new ATOM 0 HG3 GLU A 34 54.136 50.819 20.551 1.00 0.00 H new ATOM 556 N GLY A 35 53.674 51.419 16.739 1.00 0.00 N ATOM 557 CA GLY A 35 54.760 51.009 15.872 1.00 0.00 C ATOM 558 C GLY A 35 55.337 49.614 16.121 1.00 0.00 C ATOM 559 O GLY A 35 56.315 49.235 15.479 1.00 0.00 O ATOM 0 H GLY A 35 52.750 51.273 16.332 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.410 51.055 14.841 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.567 51.735 15.968 1.00 0.00 H new ATOM 563 N ILE A 36 54.742 48.834 17.019 1.00 0.00 N ATOM 564 CA ILE A 36 55.167 47.498 17.386 1.00 0.00 C ATOM 565 C ILE A 36 54.421 46.444 16.564 1.00 0.00 C ATOM 566 O ILE A 36 53.193 46.491 16.534 1.00 0.00 O ATOM 567 CB ILE A 36 55.057 47.303 18.895 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.464 45.883 19.274 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.698 47.692 19.468 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.658 45.644 20.769 1.00 0.00 C ATOM 0 H ILE A 36 53.913 49.135 17.531 1.00 0.00 H new ATOM 0 HA ILE A 36 56.221 47.368 17.140 1.00 0.00 H new ATOM 0 HB ILE A 36 55.757 47.998 19.358 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.704 45.193 18.907 1.00 0.00 H new ATOM 0 HG13 ILE A 36 56.393 45.638 18.759 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.696 47.526 20.545 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.505 48.745 19.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 52.921 47.084 19.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.946 44.606 20.937 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.441 46.303 21.144 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.726 45.852 21.295 1.00 0.00 H new ATOM 582 N PRO A 37 55.083 45.491 15.915 1.00 0.00 N ATOM 583 CA PRO A 37 54.414 44.473 15.131 1.00 0.00 C ATOM 584 C PRO A 37 53.485 43.575 15.948 1.00 0.00 C ATOM 585 O PRO A 37 53.833 43.250 17.081 1.00 0.00 O ATOM 586 CB PRO A 37 55.509 43.651 14.456 1.00 0.00 C ATOM 587 CG PRO A 37 56.677 44.629 14.381 1.00 0.00 C ATOM 588 CD PRO A 37 56.511 45.420 15.677 1.00 0.00 C ATOM 0 HA PRO A 37 53.760 44.957 14.406 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.763 42.764 15.036 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.205 43.309 13.467 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.637 44.115 14.336 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.617 45.270 13.501 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.021 44.927 16.504 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.942 46.417 15.585 1.00 0.00 H new ATOM 596 N PRO A 38 52.351 43.129 15.415 1.00 0.00 N ATOM 597 CA PRO A 38 51.358 42.361 16.138 1.00 0.00 C ATOM 598 C PRO A 38 51.883 41.173 16.945 1.00 0.00 C ATOM 599 O PRO A 38 51.500 41.017 18.103 1.00 0.00 O ATOM 600 CB PRO A 38 50.347 41.908 15.090 1.00 0.00 C ATOM 601 CG PRO A 38 50.358 43.073 14.105 1.00 0.00 C ATOM 602 CD PRO A 38 51.823 43.499 14.117 1.00 0.00 C ATOM 0 HA PRO A 38 50.929 42.999 16.911 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.643 40.972 14.617 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.358 41.748 15.521 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.032 42.767 13.111 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.698 43.880 14.423 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.377 43.005 13.318 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.916 44.573 13.953 1.00 0.00 H new ATOM 610 N ASP A 39 52.795 40.367 16.407 1.00 0.00 N ATOM 611 CA ASP A 39 53.299 39.203 17.106 1.00 0.00 C ATOM 612 C ASP A 39 54.279 39.526 18.237 1.00 0.00 C ATOM 613 O ASP A 39 54.569 38.655 19.055 1.00 0.00 O ATOM 614 CB ASP A 39 53.830 38.157 16.130 1.00 0.00 C ATOM 615 CG ASP A 39 55.237 38.444 15.606 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.370 39.066 14.529 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.206 38.002 16.260 1.00 0.00 O ATOM 0 H ASP A 39 53.199 40.506 15.481 1.00 0.00 H new ATOM 0 HA ASP A 39 52.444 38.763 17.619 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.829 37.184 16.622 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.147 38.087 15.284 1.00 0.00 H new ATOM 622 N GLN A 40 54.758 40.762 18.335 1.00 0.00 N ATOM 623 CA GLN A 40 55.565 41.246 19.437 1.00 0.00 C ATOM 624 C GLN A 40 54.722 41.836 20.568 1.00 0.00 C ATOM 625 O GLN A 40 55.240 42.048 21.662 1.00 0.00 O ATOM 626 CB GLN A 40 56.608 42.233 18.920 1.00 0.00 C ATOM 627 CG GLN A 40 57.537 41.610 17.883 1.00 0.00 C ATOM 628 CD GLN A 40 58.642 42.542 17.383 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.218 43.346 18.112 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.019 42.432 16.113 1.00 0.00 N ATOM 0 H GLN A 40 54.587 41.473 17.624 1.00 0.00 H new ATOM 0 HA GLN A 40 56.083 40.393 19.876 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.103 43.093 18.481 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.199 42.604 19.757 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.996 40.720 18.313 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.942 41.282 17.031 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.549 41.768 15.497 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.778 43.011 15.754 1.00 0.00 H new ATOM 639 N GLN A 41 53.429 42.064 20.349 1.00 0.00 N ATOM 640 CA GLN A 41 52.507 42.595 21.333 1.00 0.00 C ATOM 641 C GLN A 41 51.911 41.479 22.193 1.00 0.00 C ATOM 642 O GLN A 41 51.325 40.543 21.653 1.00 0.00 O ATOM 643 CB GLN A 41 51.367 43.343 20.647 1.00 0.00 C ATOM 644 CG GLN A 41 51.761 44.512 19.749 1.00 0.00 C ATOM 645 CD GLN A 41 50.566 45.060 18.965 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.414 44.955 19.380 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.756 45.656 17.791 1.00 0.00 N ATOM 0 H GLN A 41 52.986 41.876 19.450 1.00 0.00 H new ATOM 0 HA GLN A 41 53.070 43.277 21.970 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.802 42.629 20.048 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.693 43.717 21.417 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.191 45.308 20.357 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.535 44.189 19.052 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.700 45.759 17.418 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.958 46.010 17.264 1.00 0.00 H new ATOM 656 N ARG A 42 51.969 41.610 23.515 1.00 0.00 N ATOM 657 CA ARG A 42 51.211 40.818 24.463 1.00 0.00 C ATOM 658 C ARG A 42 50.231 41.737 25.194 1.00 0.00 C ATOM 659 O ARG A 42 50.652 42.717 25.805 1.00 0.00 O ATOM 660 CB ARG A 42 52.186 40.104 25.395 1.00 0.00 C ATOM 661 CG ARG A 42 51.561 39.231 26.480 1.00 0.00 C ATOM 662 CD ARG A 42 52.667 38.598 27.319 1.00 0.00 C ATOM 663 NE ARG A 42 52.173 37.618 28.285 1.00 0.00 N ATOM 664 CZ ARG A 42 52.609 37.409 29.534 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.580 38.128 30.114 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.083 36.416 30.265 1.00 0.00 N ATOM 0 H ARG A 42 52.570 42.299 23.967 1.00 0.00 H new ATOM 0 HA ARG A 42 50.619 40.047 23.970 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.845 39.481 24.790 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.812 40.855 25.877 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.907 39.831 27.113 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.943 38.455 26.027 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.384 38.114 26.656 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.204 39.383 27.851 1.00 0.00 H new ATOM 0 HE ARG A 42 51.406 37.024 27.971 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.031 38.884 29.599 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.868 37.919 31.070 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.353 35.823 29.870 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.412 36.254 31.217 1.00 0.00 H new ATOM 680 N LEU A 43 48.936 41.446 25.105 1.00 0.00 N ATOM 681 CA LEU A 43 47.870 42.260 25.653 1.00 0.00 C ATOM 682 C LEU A 43 47.215 41.579 26.856 1.00 0.00 C ATOM 683 O LEU A 43 46.783 40.433 26.754 1.00 0.00 O ATOM 684 CB LEU A 43 46.835 42.572 24.575 1.00 0.00 C ATOM 685 CG LEU A 43 47.347 43.354 23.369 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.211 43.521 22.364 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.853 44.743 23.748 1.00 0.00 C ATOM 0 H LEU A 43 48.595 40.609 24.633 1.00 0.00 H new ATOM 0 HA LEU A 43 48.303 43.198 26.001 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.412 41.632 24.221 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.022 43.136 25.031 1.00 0.00 H new ATOM 0 HG LEU A 43 48.179 42.790 22.947 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.569 44.079 21.499 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.862 42.540 22.043 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.389 44.064 22.831 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.206 45.258 22.855 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.042 45.315 24.200 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.672 44.650 24.461 1.00 0.00 H new ATOM 699 N ILE A 44 47.133 42.300 27.970 1.00 0.00 N ATOM 700 CA ILE A 44 46.615 41.838 29.242 1.00 0.00 C ATOM 701 C ILE A 44 45.344 42.594 29.631 1.00 0.00 C ATOM 702 O ILE A 44 45.290 43.818 29.533 1.00 0.00 O ATOM 703 CB ILE A 44 47.683 41.925 30.327 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.007 41.254 29.974 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.162 41.382 31.654 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.950 39.757 29.684 1.00 0.00 C ATOM 0 H ILE A 44 47.443 43.271 28.006 1.00 0.00 H new ATOM 0 HA ILE A 44 46.342 40.788 29.136 1.00 0.00 H new ATOM 0 HB ILE A 44 47.900 42.989 30.418 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.423 41.756 29.100 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.703 41.417 30.797 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.944 41.456 32.410 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.296 41.963 31.970 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.873 40.338 31.532 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.950 39.394 29.446 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.572 39.231 30.560 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.287 39.575 28.838 1.00 0.00 H new ATOM 718 N PHE A 45 44.345 41.865 30.120 1.00 0.00 N ATOM 719 CA PHE A 45 43.099 42.362 30.669 1.00 0.00 C ATOM 720 C PHE A 45 42.796 41.663 31.996 1.00 0.00 C ATOM 721 O PHE A 45 42.615 40.448 32.021 1.00 0.00 O ATOM 722 CB PHE A 45 41.991 42.113 29.649 1.00 0.00 C ATOM 723 CG PHE A 45 40.638 42.713 29.946 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.520 44.031 30.402 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.476 41.972 29.697 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.258 44.601 30.614 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.214 42.543 29.897 1.00 0.00 C ATOM 728 CZ PHE A 45 38.099 43.858 30.366 1.00 0.00 C ATOM 0 H PHE A 45 44.393 40.846 30.142 1.00 0.00 H new ATOM 0 HA PHE A 45 43.170 43.431 30.869 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.326 42.495 28.685 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.867 41.036 29.540 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.409 44.613 30.592 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.554 40.953 29.348 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.180 45.618 30.970 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.324 41.967 29.689 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.125 44.294 30.534 1.00 0.00 H new ATOM 738 N ALA A 46 42.768 42.405 33.099 1.00 0.00 N ATOM 739 CA ALA A 46 42.603 41.899 34.447 1.00 0.00 C ATOM 740 C ALA A 46 43.429 40.647 34.748 1.00 0.00 C ATOM 741 O ALA A 46 42.920 39.623 35.198 1.00 0.00 O ATOM 742 CB ALA A 46 41.116 41.782 34.769 1.00 0.00 C ATOM 0 H ALA A 46 42.864 43.420 33.070 1.00 0.00 H new ATOM 0 HA ALA A 46 43.029 42.624 35.141 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.992 41.401 35.783 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.648 42.763 34.690 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.644 41.097 34.064 1.00 0.00 H new ATOM 748 N GLY A 47 44.724 40.707 34.452 1.00 0.00 N ATOM 749 CA GLY A 47 45.691 39.649 34.663 1.00 0.00 C ATOM 750 C GLY A 47 45.700 38.495 33.657 1.00 0.00 C ATOM 751 O GLY A 47 46.539 37.609 33.804 1.00 0.00 O ATOM 0 H GLY A 47 45.143 41.540 34.038 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.685 40.097 34.671 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.522 39.230 35.655 1.00 0.00 H new ATOM 755 N LYS A 48 44.828 38.486 32.654 1.00 0.00 N ATOM 756 CA LYS A 48 44.668 37.434 31.670 1.00 0.00 C ATOM 757 C LYS A 48 45.065 37.893 30.264 1.00 0.00 C ATOM 758 O LYS A 48 44.828 39.044 29.904 1.00 0.00 O ATOM 759 CB LYS A 48 43.224 36.944 31.685 1.00 0.00 C ATOM 760 CG LYS A 48 42.705 36.463 33.038 1.00 0.00 C ATOM 761 CD LYS A 48 43.400 35.237 33.622 1.00 0.00 C ATOM 762 CE LYS A 48 42.924 33.925 33.003 1.00 0.00 C ATOM 763 NZ LYS A 48 41.701 33.413 33.638 1.00 0.00 N ATOM 0 H LYS A 48 44.180 39.259 32.502 1.00 0.00 H new ATOM 0 HA LYS A 48 45.338 36.617 31.936 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.581 37.752 31.336 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.128 36.128 30.968 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.795 37.282 33.752 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.642 36.242 32.940 1.00 0.00 H new ATOM 0 HD2 LYS A 48 44.476 35.332 33.474 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.228 35.207 34.698 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.742 34.074 31.939 1.00 0.00 H new ATOM 0 HE3 LYS A 48 43.714 33.179 33.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.420 32.522 33.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.879 33.243 34.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.937 34.111 33.534 1.00 0.00 H new ATOM 777 N GLN A 49 45.668 37.009 29.474 1.00 0.00 N ATOM 778 CA GLN A 49 46.174 37.296 28.147 1.00 0.00 C ATOM 779 C GLN A 49 45.094 37.182 27.069 1.00 0.00 C ATOM 780 O GLN A 49 44.306 36.238 27.070 1.00 0.00 O ATOM 781 CB GLN A 49 47.355 36.374 27.867 1.00 0.00 C ATOM 782 CG GLN A 49 48.106 36.681 26.575 1.00 0.00 C ATOM 783 CD GLN A 49 49.338 35.783 26.441 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.252 35.813 27.264 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.414 34.921 25.431 1.00 0.00 N ATOM 0 H GLN A 49 45.820 36.041 29.756 1.00 0.00 H new ATOM 0 HA GLN A 49 46.505 38.334 28.114 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.053 36.436 28.702 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.995 35.346 27.828 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.446 36.532 25.720 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.410 37.728 26.565 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.667 34.880 24.738 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.220 34.301 25.350 1.00 0.00 H new ATOM 794 N LEU A 50 45.090 38.113 26.119 1.00 0.00 N ATOM 795 CA LEU A 50 44.183 38.125 24.988 1.00 0.00 C ATOM 796 C LEU A 50 44.784 37.397 23.783 1.00 0.00 C ATOM 797 O LEU A 50 45.855 37.765 23.308 1.00 0.00 O ATOM 798 CB LEU A 50 43.797 39.556 24.627 1.00 0.00 C ATOM 799 CG LEU A 50 43.259 40.421 25.763 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.882 41.798 25.223 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.025 39.803 26.418 1.00 0.00 C ATOM 0 H LEU A 50 45.739 38.900 26.120 1.00 0.00 H new ATOM 0 HA LEU A 50 43.279 37.588 25.276 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.673 40.050 24.207 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.044 39.518 23.840 1.00 0.00 H new ATOM 0 HG LEU A 50 44.046 40.499 26.513 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.498 42.415 26.035 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.763 42.273 24.792 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.116 41.690 24.456 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.676 40.452 27.221 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.236 39.690 25.674 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.281 38.826 26.827 1.00 0.00 H new ATOM 813 N GLU A 51 44.081 36.399 23.254 1.00 0.00 N ATOM 814 CA GLU A 51 44.510 35.568 22.148 1.00 0.00 C ATOM 815 C GLU A 51 43.585 35.641 20.932 1.00 0.00 C ATOM 816 O GLU A 51 42.381 35.865 21.043 1.00 0.00 O ATOM 817 CB GLU A 51 44.704 34.125 22.605 1.00 0.00 C ATOM 818 CG GLU A 51 45.980 33.907 23.411 1.00 0.00 C ATOM 819 CD GLU A 51 47.230 34.253 22.598 1.00 0.00 C ATOM 820 OE1 GLU A 51 47.415 33.719 21.482 1.00 0.00 O ATOM 821 OE2 GLU A 51 48.054 35.072 23.058 1.00 0.00 O ATOM 0 H GLU A 51 43.158 36.142 23.604 1.00 0.00 H new ATOM 0 HA GLU A 51 45.468 35.969 21.816 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.847 33.825 23.208 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.721 33.475 21.730 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.951 34.520 24.312 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.033 32.868 23.735 1.00 0.00 H new ATOM 828 N ASP A 52 44.194 35.437 19.767 1.00 0.00 N ATOM 829 CA ASP A 52 43.676 35.656 18.431 1.00 0.00 C ATOM 830 C ASP A 52 42.381 34.908 18.108 1.00 0.00 C ATOM 831 O ASP A 52 42.028 33.907 18.727 1.00 0.00 O ATOM 832 CB ASP A 52 44.754 35.242 17.434 1.00 0.00 C ATOM 833 CG ASP A 52 46.101 35.965 17.504 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.826 35.969 16.486 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.521 36.434 18.583 1.00 0.00 O ATOM 0 H ASP A 52 45.150 35.082 19.738 1.00 0.00 H new ATOM 0 HA ASP A 52 43.423 36.714 18.365 1.00 0.00 H new ATOM 0 HB2 ASP A 52 44.938 34.175 17.563 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.352 35.377 16.430 1.00 0.00 H new ATOM 840 N GLY A 53 41.665 35.385 17.094 1.00 0.00 N ATOM 841 CA GLY A 53 40.519 34.743 16.484 1.00 0.00 C ATOM 842 C GLY A 53 39.194 34.885 17.236 1.00 0.00 C ATOM 843 O GLY A 53 38.142 34.719 16.623 1.00 0.00 O ATOM 0 H GLY A 53 41.886 36.279 16.656 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.390 35.150 15.481 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.739 33.681 16.372 1.00 0.00 H new ATOM 847 N ARG A 54 39.241 35.247 18.515 1.00 0.00 N ATOM 848 CA ARG A 54 38.101 35.648 19.315 1.00 0.00 C ATOM 849 C ARG A 54 37.931 37.168 19.314 1.00 0.00 C ATOM 850 O ARG A 54 38.860 37.902 18.984 1.00 0.00 O ATOM 851 CB ARG A 54 38.223 35.074 20.724 1.00 0.00 C ATOM 852 CG ARG A 54 38.160 33.552 20.808 1.00 0.00 C ATOM 853 CD ARG A 54 36.767 32.933 20.738 1.00 0.00 C ATOM 854 NE ARG A 54 36.107 33.097 19.443 1.00 0.00 N ATOM 855 CZ ARG A 54 36.344 32.429 18.307 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.230 31.427 18.209 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.665 32.782 17.207 1.00 0.00 N ATOM 0 H ARG A 54 40.116 35.268 19.040 1.00 0.00 H new ATOM 0 HA ARG A 54 37.194 35.239 18.870 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.167 35.408 21.156 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.426 35.490 21.340 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.760 33.139 19.998 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.627 33.240 21.742 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.842 31.869 20.964 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.143 33.380 21.512 1.00 0.00 H new ATOM 0 HE ARG A 54 35.376 33.808 19.400 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.765 31.138 19.028 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.368 30.954 17.316 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.987 33.543 17.248 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.826 32.290 16.328 1.00 0.00 H new ATOM 871 N THR A 55 36.735 37.628 19.667 1.00 0.00 N ATOM 872 CA THR A 55 36.384 39.034 19.657 1.00 0.00 C ATOM 873 C THR A 55 36.556 39.707 21.021 1.00 0.00 C ATOM 874 O THR A 55 36.623 39.045 22.053 1.00 0.00 O ATOM 875 CB THR A 55 34.969 39.280 19.144 1.00 0.00 C ATOM 876 OG1 THR A 55 34.015 38.781 20.055 1.00 0.00 O ATOM 877 CG2 THR A 55 34.709 38.685 17.764 1.00 0.00 C ATOM 0 H THR A 55 35.974 37.021 19.972 1.00 0.00 H new ATOM 0 HA THR A 55 37.091 39.490 18.964 1.00 0.00 H new ATOM 0 HB THR A 55 34.872 40.362 19.051 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.276 37.881 20.342 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.683 38.899 17.463 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.398 39.125 17.043 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.860 37.606 17.799 1.00 0.00 H new ATOM 885 N LEU A 56 36.538 41.038 21.036 1.00 0.00 N ATOM 886 CA LEU A 56 36.432 41.812 22.255 1.00 0.00 C ATOM 887 C LEU A 56 35.249 41.376 23.121 1.00 0.00 C ATOM 888 O LEU A 56 35.389 41.318 24.341 1.00 0.00 O ATOM 889 CB LEU A 56 36.347 43.296 21.909 1.00 0.00 C ATOM 890 CG LEU A 56 37.570 43.905 21.231 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.339 45.399 21.016 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.842 43.755 22.061 1.00 0.00 C ATOM 0 H LEU A 56 36.597 41.607 20.192 1.00 0.00 H new ATOM 0 HA LEU A 56 37.327 41.631 22.850 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.485 43.446 21.259 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.154 43.850 22.827 1.00 0.00 H new ATOM 0 HG LEU A 56 37.703 43.371 20.290 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.212 45.836 20.532 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.463 45.544 20.384 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.177 45.884 21.978 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.679 44.207 21.529 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.711 44.254 23.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.046 42.697 22.227 1.00 0.00 H new ATOM 904 N SER A 57 34.122 40.992 22.526 1.00 0.00 N ATOM 905 CA SER A 57 32.964 40.499 23.243 1.00 0.00 C ATOM 906 C SER A 57 33.111 39.107 23.862 1.00 0.00 C ATOM 907 O SER A 57 32.491 38.838 24.888 1.00 0.00 O ATOM 908 CB SER A 57 31.721 40.576 22.361 1.00 0.00 C ATOM 909 OG SER A 57 31.724 39.661 21.288 1.00 0.00 O ATOM 0 H SER A 57 33.993 41.018 21.515 1.00 0.00 H new ATOM 0 HA SER A 57 32.860 41.164 24.100 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.839 40.396 22.976 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.632 41.587 21.963 1.00 0.00 H new ATOM 0 HG SER A 57 32.647 39.491 21.006 1.00 0.00 H new ATOM 915 N ASP A 58 33.972 38.247 23.327 1.00 0.00 N ATOM 916 CA ASP A 58 34.283 36.956 23.905 1.00 0.00 C ATOM 917 C ASP A 58 35.157 37.062 25.158 1.00 0.00 C ATOM 918 O ASP A 58 35.098 36.191 26.022 1.00 0.00 O ATOM 919 CB ASP A 58 34.978 36.072 22.874 1.00 0.00 C ATOM 920 CG ASP A 58 34.087 35.732 21.677 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.104 34.981 21.854 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.407 36.200 20.563 1.00 0.00 O ATOM 0 H ASP A 58 34.480 38.437 22.463 1.00 0.00 H new ATOM 0 HA ASP A 58 33.335 36.510 24.205 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.877 36.576 22.519 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.300 35.148 23.354 1.00 0.00 H new ATOM 927 N TYR A 59 35.921 38.143 25.286 1.00 0.00 N ATOM 928 CA TYR A 59 36.598 38.552 26.501 1.00 0.00 C ATOM 929 C TYR A 59 35.801 39.549 27.344 1.00 0.00 C ATOM 930 O TYR A 59 36.243 39.907 28.433 1.00 0.00 O ATOM 931 CB TYR A 59 37.983 39.080 26.141 1.00 0.00 C ATOM 932 CG TYR A 59 38.961 38.011 25.714 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.601 37.239 26.689 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.250 37.812 24.358 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.537 36.264 26.318 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.192 36.850 23.975 1.00 0.00 C ATOM 937 CZ TYR A 59 40.833 36.066 24.955 1.00 0.00 C ATOM 938 OH TYR A 59 41.756 35.134 24.582 1.00 0.00 O ATOM 0 H TYR A 59 36.089 38.782 24.509 1.00 0.00 H new ATOM 0 HA TYR A 59 36.696 37.675 27.141 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.884 39.809 25.336 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.393 39.609 27.001 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.373 37.395 27.733 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.745 38.402 23.607 1.00 0.00 H new ATOM 0 HE1 TYR A 59 41.028 35.668 27.073 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.427 36.709 22.930 1.00 0.00 H new ATOM 0 HH TYR A 59 41.534 34.792 23.691 1.00 0.00 H new ATOM 948 N ASN A 60 34.643 40.009 26.879 1.00 0.00 N ATOM 949 CA ASN A 60 33.846 41.067 27.468 1.00 0.00 C ATOM 950 C ASN A 60 34.656 42.316 27.818 1.00 0.00 C ATOM 951 O ASN A 60 34.603 42.831 28.933 1.00 0.00 O ATOM 952 CB ASN A 60 32.967 40.505 28.582 1.00 0.00 C ATOM 953 CG ASN A 60 31.906 41.494 29.070 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.826 41.810 30.255 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.031 42.003 28.208 1.00 0.00 N ATOM 0 H ASN A 60 34.217 39.629 26.034 1.00 0.00 H new ATOM 0 HA ASN A 60 33.159 41.451 26.714 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.474 39.600 28.226 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.598 40.215 29.422 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.308 42.645 28.534 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.082 41.752 27.221 1.00 0.00 H new ATOM 962 N ILE A 61 35.420 42.809 26.848 1.00 0.00 N ATOM 963 CA ILE A 61 36.119 44.077 26.907 1.00 0.00 C ATOM 964 C ILE A 61 35.100 45.168 26.566 1.00 0.00 C ATOM 965 O ILE A 61 34.792 45.428 25.405 1.00 0.00 O ATOM 966 CB ILE A 61 37.347 44.052 26.000 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.351 43.007 26.477 1.00 0.00 C ATOM 968 CG2 ILE A 61 38.025 45.419 25.952 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.345 42.571 25.405 1.00 0.00 C ATOM 0 H ILE A 61 35.571 42.314 25.969 1.00 0.00 H new ATOM 0 HA ILE A 61 36.517 44.284 27.900 1.00 0.00 H new ATOM 0 HB ILE A 61 37.006 43.792 24.998 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.902 43.408 27.328 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.808 42.131 26.833 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.896 45.370 25.299 1.00 0.00 H new ATOM 0 HG22 ILE A 61 37.324 46.160 25.567 1.00 0.00 H new ATOM 0 HG23 ILE A 61 38.340 45.704 26.956 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.025 41.827 25.820 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.805 42.139 24.563 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.916 43.435 25.065 1.00 0.00 H new ATOM 981 N GLN A 62 34.497 45.733 27.608 1.00 0.00 N ATOM 982 CA GLN A 62 33.413 46.693 27.545 1.00 0.00 C ATOM 983 C GLN A 62 33.865 48.090 27.116 1.00 0.00 C ATOM 984 O GLN A 62 35.055 48.393 27.090 1.00 0.00 O ATOM 985 CB GLN A 62 32.747 46.752 28.916 1.00 0.00 C ATOM 986 CG GLN A 62 32.104 45.434 29.339 1.00 0.00 C ATOM 987 CD GLN A 62 31.533 45.475 30.758 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.503 46.501 31.434 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.063 44.343 31.273 1.00 0.00 N ATOM 0 H GLN A 62 34.770 45.518 28.567 1.00 0.00 H new ATOM 0 HA GLN A 62 32.712 46.358 26.780 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.490 47.040 29.660 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.986 47.532 28.908 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.306 45.184 28.639 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.845 44.637 29.275 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.083 43.485 30.722 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.683 44.332 32.219 1.00 0.00 H new ATOM 998 N LYS A 63 32.903 48.978 26.878 1.00 0.00 N ATOM 999 CA LYS A 63 33.098 50.407 26.734 1.00 0.00 C ATOM 1000 C LYS A 63 34.032 50.964 27.810 1.00 0.00 C ATOM 1001 O LYS A 63 33.833 50.711 28.996 1.00 0.00 O ATOM 1002 CB LYS A 63 31.731 51.082 26.782 1.00 0.00 C ATOM 1003 CG LYS A 63 31.782 52.607 26.792 1.00 0.00 C ATOM 1004 CD LYS A 63 30.396 53.243 26.819 1.00 0.00 C ATOM 1005 CE LYS A 63 30.548 54.760 26.886 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.256 55.463 26.902 1.00 0.00 N ATOM 0 H LYS A 63 31.926 48.703 26.777 1.00 0.00 H new ATOM 0 HA LYS A 63 33.580 50.612 25.778 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.148 50.756 25.921 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.202 50.742 27.673 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.348 52.942 27.662 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.319 52.954 25.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.834 52.960 25.929 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.833 52.882 27.680 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.111 55.025 27.781 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.131 55.100 26.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.420 56.489 26.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.726 55.235 26.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.707 55.162 27.733 1.00 0.00 H new ATOM 1020 N GLU A 64 35.028 51.741 27.395 1.00 0.00 N ATOM 1021 CA GLU A 64 35.996 52.414 28.239 1.00 0.00 C ATOM 1022 C GLU A 64 36.841 51.482 29.108 1.00 0.00 C ATOM 1023 O GLU A 64 37.307 51.874 30.176 1.00 0.00 O ATOM 1024 CB GLU A 64 35.342 53.577 28.979 1.00 0.00 C ATOM 1025 CG GLU A 64 34.942 54.715 28.043 1.00 0.00 C ATOM 1026 CD GLU A 64 34.138 55.806 28.752 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.625 56.390 29.742 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.018 56.117 28.290 1.00 0.00 O ATOM 0 H GLU A 64 35.186 51.925 26.404 1.00 0.00 H new ATOM 0 HA GLU A 64 36.752 52.847 27.584 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.459 53.217 29.506 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.031 53.957 29.734 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.839 55.155 27.608 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.353 54.312 27.219 1.00 0.00 H new ATOM 1035 N SER A 65 37.065 50.244 28.678 1.00 0.00 N ATOM 1036 CA SER A 65 37.991 49.325 29.308 1.00 0.00 C ATOM 1037 C SER A 65 39.452 49.751 29.146 1.00 0.00 C ATOM 1038 O SER A 65 39.821 50.322 28.121 1.00 0.00 O ATOM 1039 CB SER A 65 37.875 47.919 28.727 1.00 0.00 C ATOM 1040 OG SER A 65 36.599 47.371 28.972 1.00 0.00 O ATOM 0 H SER A 65 36.595 49.849 27.864 1.00 0.00 H new ATOM 0 HA SER A 65 37.717 49.335 30.363 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.061 47.950 27.653 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.640 47.277 29.165 1.00 0.00 H new ATOM 0 HG SER A 65 35.916 47.925 28.539 1.00 0.00 H new ATOM 1046 N THR A 66 40.283 49.388 30.119 1.00 0.00 N ATOM 1047 CA THR A 66 41.719 49.577 30.102 1.00 0.00 C ATOM 1048 C THR A 66 42.436 48.231 29.969 1.00 0.00 C ATOM 1049 O THR A 66 42.267 47.333 30.790 1.00 0.00 O ATOM 1050 CB THR A 66 42.205 50.342 31.329 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.595 51.612 31.389 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.707 50.611 31.305 1.00 0.00 C ATOM 0 H THR A 66 39.955 48.936 30.973 1.00 0.00 H new ATOM 0 HA THR A 66 41.963 50.184 29.231 1.00 0.00 H new ATOM 0 HB THR A 66 41.950 49.712 32.181 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.914 52.091 32.182 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.993 51.158 32.203 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.246 49.664 31.270 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.957 51.203 30.425 1.00 0.00 H new ATOM 1060 N LEU A 67 43.272 48.121 28.940 1.00 0.00 N ATOM 1061 CA LEU A 67 44.179 47.023 28.670 1.00 0.00 C ATOM 1062 C LEU A 67 45.620 47.460 28.945 1.00 0.00 C ATOM 1063 O LEU A 67 45.936 48.645 28.865 1.00 0.00 O ATOM 1064 CB LEU A 67 44.034 46.591 27.214 1.00 0.00 C ATOM 1065 CG LEU A 67 42.626 46.327 26.686 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.710 45.841 25.242 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.909 45.260 27.509 1.00 0.00 C ATOM 0 H LEU A 67 43.333 48.849 28.228 1.00 0.00 H new ATOM 0 HA LEU A 67 43.935 46.183 29.320 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.487 47.361 26.590 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.620 45.682 27.074 1.00 0.00 H new ATOM 0 HG LEU A 67 42.066 47.259 26.754 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.706 45.652 24.863 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.192 46.603 24.629 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.293 44.921 25.201 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.910 45.099 27.104 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.473 44.328 27.467 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.832 45.590 28.545 1.00 0.00 H new ATOM 1079 N HIS A 68 46.520 46.509 29.183 1.00 0.00 N ATOM 1080 CA HIS A 68 47.941 46.760 29.310 1.00 0.00 C ATOM 1081 C HIS A 68 48.714 46.039 28.205 1.00 0.00 C ATOM 1082 O HIS A 68 48.476 44.860 27.948 1.00 0.00 O ATOM 1083 CB HIS A 68 48.426 46.370 30.703 1.00 0.00 C ATOM 1084 CG HIS A 68 47.858 47.240 31.790 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.539 48.268 32.441 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.597 47.147 32.318 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.671 48.795 33.308 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.498 48.144 33.269 1.00 0.00 N ATOM 0 H HIS A 68 46.271 45.526 29.294 1.00 0.00 H new ATOM 0 HA HIS A 68 48.128 47.827 29.188 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.156 45.332 30.898 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.514 46.427 30.732 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.832 46.435 32.045 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.884 49.633 33.954 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.678 48.349 33.840 1.00 0.00 H new ATOM 1096 N LEU A 69 49.634 46.743 27.552 1.00 0.00 N ATOM 1097 CA LEU A 69 50.555 46.209 26.568 1.00 0.00 C ATOM 1098 C LEU A 69 51.907 45.933 27.229 1.00 0.00 C ATOM 1099 O LEU A 69 52.463 46.804 27.895 1.00 0.00 O ATOM 1100 CB LEU A 69 50.654 47.191 25.406 1.00 0.00 C ATOM 1101 CG LEU A 69 51.739 46.904 24.372 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.502 45.617 23.587 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.801 48.053 23.369 1.00 0.00 C ATOM 0 H LEU A 69 49.759 47.744 27.705 1.00 0.00 H new ATOM 0 HA LEU A 69 50.197 45.259 26.170 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.692 47.215 24.895 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.824 48.188 25.813 1.00 0.00 H new ATOM 0 HG LEU A 69 52.670 46.794 24.929 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.310 45.474 22.870 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.473 44.772 24.274 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.553 45.685 23.055 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.576 47.849 22.630 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.838 48.151 22.868 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.034 48.981 23.892 1.00 0.00 H new ATOM 1115 N VAL A 70 52.451 44.745 26.979 1.00 0.00 N ATOM 1116 CA VAL A 70 53.804 44.335 27.299 1.00 0.00 C ATOM 1117 C VAL A 70 54.428 43.637 26.090 1.00 0.00 C ATOM 1118 O VAL A 70 53.730 43.288 25.141 1.00 0.00 O ATOM 1119 CB VAL A 70 53.856 43.477 28.560 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.199 44.161 29.757 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.219 42.099 28.401 1.00 0.00 C ATOM 0 H VAL A 70 51.923 44.003 26.520 1.00 0.00 H new ATOM 0 HA VAL A 70 54.396 45.222 27.522 1.00 0.00 H new ATOM 0 HB VAL A 70 54.924 43.347 28.738 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.263 43.509 30.628 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.713 45.099 29.967 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.152 44.363 29.531 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.297 41.552 29.340 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.169 42.212 28.133 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.736 41.547 27.616 1.00 0.00 H new