USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 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 55 THR OG1 : rot -78:sc= 1.15 USER MOD Set 1.2: A 57 SER OG : rot -87:sc= 0.708 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.183 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.15 K(o=1.3,f=-0.49) USER MOD Single : A 1 MET CE :methyl 152:sc= 0 (180deg=-0.0555) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.875 (180deg=0.834) USER MOD Single : A 2 GLN : amide:sc= 1.19 K(o=1.2,f=-0.55) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.58) 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 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.1 (180deg=0.95) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 2.49 (180deg=2.42) USER MOD Single : A 31 GLN : amide:sc= -0.685 K(o=-0.69,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.16) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.12 K(o=1.1,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.177 K(o=0.18,f=-3.5!) USER MOD Single : A 59 TYR OH : rot 23:sc= 1.73 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.11) USER MOD Single : A 65 SER OG : rot 64:sc= 1.09 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.716 52.161 19.135 1.00 0.00 N ATOM 2 CA MET A 1 33.077 51.980 20.549 1.00 0.00 C ATOM 3 C MET A 1 34.553 52.329 20.746 1.00 0.00 C ATOM 4 O MET A 1 35.313 52.320 19.781 1.00 0.00 O ATOM 5 CB MET A 1 32.673 50.588 21.025 1.00 0.00 C ATOM 6 CG MET A 1 33.409 49.983 22.218 1.00 0.00 C ATOM 7 SD MET A 1 32.904 48.275 22.540 1.00 0.00 S ATOM 8 CE MET A 1 34.311 47.653 23.495 1.00 0.00 C ATOM 0 H1 MET A 1 31.689 52.040 19.021 1.00 0.00 H new ATOM 0 H2 MET A 1 32.988 53.116 18.827 1.00 0.00 H new ATOM 0 H3 MET A 1 33.215 51.455 18.556 1.00 0.00 H new ATOM 0 HA MET A 1 32.520 52.667 21.186 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.611 50.617 21.271 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.787 49.904 20.184 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.483 50.014 22.034 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.220 50.589 23.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.976 46.859 24.162 1.00 0.00 H new ATOM 0 HE2 MET A 1 35.067 47.261 22.815 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.738 48.465 24.084 1.00 0.00 H new ATOM 20 N GLN A 2 34.985 52.629 21.969 1.00 0.00 N ATOM 21 CA GLN A 2 36.379 52.817 22.318 1.00 0.00 C ATOM 22 C GLN A 2 36.860 51.864 23.414 1.00 0.00 C ATOM 23 O GLN A 2 36.102 51.515 24.316 1.00 0.00 O ATOM 24 CB GLN A 2 36.641 54.260 22.737 1.00 0.00 C ATOM 25 CG GLN A 2 36.831 55.187 21.540 1.00 0.00 C ATOM 26 CD GLN A 2 37.015 56.649 21.954 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.994 57.018 23.125 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.189 57.563 21.004 1.00 0.00 N ATOM 0 H GLN A 2 34.353 52.750 22.761 1.00 0.00 H new ATOM 0 HA GLN A 2 36.949 52.585 21.419 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.807 54.617 23.341 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.530 54.297 23.367 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.700 54.863 20.968 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.967 55.105 20.881 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.210 57.282 20.024 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.301 58.545 21.256 1.00 0.00 H new ATOM 37 N ILE A 3 38.144 51.520 23.363 1.00 0.00 N ATOM 38 CA ILE A 3 38.923 50.981 24.459 1.00 0.00 C ATOM 39 C ILE A 3 40.258 51.722 24.556 1.00 0.00 C ATOM 40 O ILE A 3 40.637 52.432 23.628 1.00 0.00 O ATOM 41 CB ILE A 3 39.089 49.465 24.388 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.760 48.908 23.136 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.738 48.779 24.577 1.00 0.00 C ATOM 44 CD1 ILE A 3 41.277 49.065 23.092 1.00 0.00 C ATOM 0 H ILE A 3 38.692 51.617 22.508 1.00 0.00 H new ATOM 0 HA ILE A 3 38.369 51.151 25.382 1.00 0.00 H new ATOM 0 HB ILE A 3 39.781 49.242 25.200 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.517 47.849 23.053 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.333 49.402 22.263 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.868 47.698 24.524 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.326 49.048 25.550 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.054 49.100 23.792 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.660 48.639 22.165 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.535 50.123 23.139 1.00 0.00 H new ATOM 0 HD13 ILE A 3 41.721 48.545 23.941 1.00 0.00 H new ATOM 56 N PHE A 4 40.971 51.554 25.666 1.00 0.00 N ATOM 57 CA PHE A 4 42.199 52.266 25.958 1.00 0.00 C ATOM 58 C PHE A 4 43.345 51.292 26.238 1.00 0.00 C ATOM 59 O PHE A 4 43.228 50.400 27.075 1.00 0.00 O ATOM 60 CB PHE A 4 41.960 53.238 27.110 1.00 0.00 C ATOM 61 CG PHE A 4 41.020 54.373 26.775 1.00 0.00 C ATOM 62 CD1 PHE A 4 39.635 54.174 26.799 1.00 0.00 C ATOM 63 CD2 PHE A 4 41.528 55.632 26.434 1.00 0.00 C ATOM 64 CE1 PHE A 4 38.764 55.215 26.454 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.659 56.683 26.115 1.00 0.00 C ATOM 66 CZ PHE A 4 39.276 56.473 26.113 1.00 0.00 C ATOM 0 H PHE A 4 40.699 50.902 26.402 1.00 0.00 H new ATOM 0 HA PHE A 4 42.501 52.847 25.087 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.558 52.686 27.959 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.917 53.654 27.425 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.236 53.212 27.085 1.00 0.00 H new ATOM 0 HD2 PHE A 4 42.596 55.794 26.417 1.00 0.00 H new ATOM 0 HE1 PHE A 4 37.697 55.048 26.451 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.057 57.657 25.870 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.606 57.278 25.850 1.00 0.00 H new ATOM 76 N VAL A 5 44.460 51.466 25.534 1.00 0.00 N ATOM 77 CA VAL A 5 45.632 50.619 25.636 1.00 0.00 C ATOM 78 C VAL A 5 46.765 51.359 26.349 1.00 0.00 C ATOM 79 O VAL A 5 47.181 52.423 25.896 1.00 0.00 O ATOM 80 CB VAL A 5 46.076 50.080 24.279 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.232 49.095 24.423 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.928 49.360 23.577 1.00 0.00 C ATOM 0 H VAL A 5 44.571 52.223 24.859 1.00 0.00 H new ATOM 0 HA VAL A 5 45.361 49.750 26.236 1.00 0.00 H new ATOM 0 HB VAL A 5 46.397 50.939 23.690 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.524 48.730 23.438 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.080 49.595 24.891 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.919 48.255 25.043 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.269 48.985 22.612 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.592 48.525 24.192 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.102 50.055 23.425 1.00 0.00 H new ATOM 92 N LYS A 6 47.273 50.783 27.435 1.00 0.00 N ATOM 93 CA LYS A 6 48.304 51.336 28.291 1.00 0.00 C ATOM 94 C LYS A 6 49.645 50.619 28.126 1.00 0.00 C ATOM 95 O LYS A 6 49.712 49.393 28.185 1.00 0.00 O ATOM 96 CB LYS A 6 47.809 51.335 29.735 1.00 0.00 C ATOM 97 CG LYS A 6 48.719 52.136 30.661 1.00 0.00 C ATOM 98 CD LYS A 6 48.080 52.292 32.038 1.00 0.00 C ATOM 99 CE LYS A 6 48.883 53.265 32.899 1.00 0.00 C ATOM 100 NZ LYS A 6 48.327 53.354 34.258 1.00 0.00 N ATOM 0 H LYS A 6 46.955 49.868 27.754 1.00 0.00 H new ATOM 0 HA LYS A 6 48.496 52.366 27.991 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.802 51.750 29.771 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.744 50.308 30.093 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.682 51.635 30.756 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.912 53.118 30.230 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.057 52.653 31.931 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.026 51.322 32.531 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.922 52.939 32.949 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.880 54.252 32.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.892 54.022 34.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.343 53.688 34.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.353 52.416 34.706 1.00 0.00 H new ATOM 168 N LYS A 11 52.196 55.526 29.060 1.00 0.00 N ATOM 169 CA LYS A 11 51.470 56.152 27.975 1.00 0.00 C ATOM 170 C LYS A 11 50.169 55.388 27.726 1.00 0.00 C ATOM 171 O LYS A 11 50.193 54.159 27.718 1.00 0.00 O ATOM 172 CB LYS A 11 52.352 56.168 26.728 1.00 0.00 C ATOM 173 CG LYS A 11 51.714 56.887 25.544 1.00 0.00 C ATOM 174 CD LYS A 11 52.592 56.765 24.302 1.00 0.00 C ATOM 175 CE LYS A 11 51.928 57.488 23.133 1.00 0.00 C ATOM 176 NZ LYS A 11 52.714 57.369 21.896 1.00 0.00 N ATOM 0 HA LYS A 11 51.215 57.180 28.231 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.300 56.650 26.968 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.580 55.142 26.440 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.730 56.464 25.343 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.565 57.939 25.788 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.576 57.193 24.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.745 55.715 24.054 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.932 57.077 22.971 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.801 58.541 23.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.126 57.643 21.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.543 57.994 21.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.030 56.385 21.779 1.00 0.00 H new ATOM 190 N THR A 12 49.066 56.087 27.471 1.00 0.00 N ATOM 191 CA THR A 12 47.802 55.469 27.121 1.00 0.00 C ATOM 192 C THR A 12 47.303 55.994 25.773 1.00 0.00 C ATOM 193 O THR A 12 47.414 57.185 25.489 1.00 0.00 O ATOM 194 CB THR A 12 46.781 55.630 28.244 1.00 0.00 C ATOM 195 OG1 THR A 12 47.322 55.078 29.424 1.00 0.00 O ATOM 196 CG2 THR A 12 45.482 54.873 27.987 1.00 0.00 C ATOM 0 H THR A 12 49.030 57.106 27.503 1.00 0.00 H new ATOM 0 HA THR A 12 47.953 54.396 27.003 1.00 0.00 H new ATOM 0 HB THR A 12 46.565 56.696 28.317 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.678 55.175 30.156 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.799 55.028 28.822 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.023 55.240 27.069 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.695 53.809 27.886 1.00 0.00 H new ATOM 204 N ILE A 13 46.786 55.105 24.931 1.00 0.00 N ATOM 205 CA ILE A 13 46.242 55.412 23.623 1.00 0.00 C ATOM 206 C ILE A 13 44.789 54.946 23.509 1.00 0.00 C ATOM 207 O ILE A 13 44.443 53.844 23.929 1.00 0.00 O ATOM 208 CB ILE A 13 47.113 54.899 22.480 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.207 53.377 22.409 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.494 55.543 22.547 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.043 52.828 21.258 1.00 0.00 C ATOM 0 H ILE A 13 46.735 54.111 25.156 1.00 0.00 H new ATOM 0 HA ILE A 13 46.246 56.497 23.523 1.00 0.00 H new ATOM 0 HB ILE A 13 46.621 55.195 21.553 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.625 53.011 23.347 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.199 52.971 22.330 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.109 55.171 21.728 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.395 56.625 22.464 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.966 55.293 23.497 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.046 51.739 21.298 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.616 53.156 20.310 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.065 53.197 21.343 1.00 0.00 H new ATOM 223 N THR A 14 43.944 55.782 22.913 1.00 0.00 N ATOM 224 CA THR A 14 42.578 55.448 22.564 1.00 0.00 C ATOM 225 C THR A 14 42.533 54.700 21.230 1.00 0.00 C ATOM 226 O THR A 14 43.316 55.028 20.342 1.00 0.00 O ATOM 227 CB THR A 14 41.720 56.711 22.566 1.00 0.00 C ATOM 228 OG1 THR A 14 40.377 56.453 22.226 1.00 0.00 O ATOM 229 CG2 THR A 14 42.200 57.838 21.656 1.00 0.00 C ATOM 0 H THR A 14 44.203 56.734 22.655 1.00 0.00 H new ATOM 0 HA THR A 14 42.161 54.773 23.311 1.00 0.00 H new ATOM 0 HB THR A 14 41.814 57.046 23.599 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.869 57.291 22.243 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.518 58.685 21.735 1.00 0.00 H new ATOM 0 HG22 THR A 14 43.201 58.148 21.958 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.224 57.487 20.624 1.00 0.00 H new ATOM 237 N LEU A 15 41.668 53.701 21.077 1.00 0.00 N ATOM 238 CA LEU A 15 41.455 52.984 19.835 1.00 0.00 C ATOM 239 C LEU A 15 39.968 52.811 19.521 1.00 0.00 C ATOM 240 O LEU A 15 39.184 52.491 20.413 1.00 0.00 O ATOM 241 CB LEU A 15 42.119 51.611 19.881 1.00 0.00 C ATOM 242 CG LEU A 15 43.633 51.580 20.073 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.088 50.128 20.186 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.408 52.187 18.906 1.00 0.00 C ATOM 0 H LEU A 15 41.081 53.362 21.840 1.00 0.00 H new ATOM 0 HA LEU A 15 41.907 53.585 19.046 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.663 51.041 20.691 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.884 51.090 18.953 1.00 0.00 H new ATOM 0 HG LEU A 15 43.837 52.166 20.969 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.169 50.095 20.323 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.599 49.659 21.040 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.822 49.591 19.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.477 52.131 19.111 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.184 51.634 17.994 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.117 53.230 18.779 1.00 0.00 H new ATOM 256 N GLU A 16 39.587 52.940 18.254 1.00 0.00 N ATOM 257 CA GLU A 16 38.227 52.754 17.791 1.00 0.00 C ATOM 258 C GLU A 16 37.959 51.282 17.473 1.00 0.00 C ATOM 259 O GLU A 16 38.569 50.697 16.580 1.00 0.00 O ATOM 260 CB GLU A 16 37.926 53.607 16.563 1.00 0.00 C ATOM 261 CG GLU A 16 38.196 55.104 16.689 1.00 0.00 C ATOM 262 CD GLU A 16 37.264 55.847 17.648 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.030 55.671 17.567 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.760 56.697 18.420 1.00 0.00 O ATOM 0 H GLU A 16 40.237 53.183 17.506 1.00 0.00 H new ATOM 0 HA GLU A 16 37.568 53.074 18.598 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.514 53.224 15.729 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.876 53.471 16.302 1.00 0.00 H new ATOM 0 HG2 GLU A 16 39.224 55.246 17.021 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.114 55.558 15.701 1.00 0.00 H new ATOM 271 N VAL A 17 37.008 50.673 18.175 1.00 0.00 N ATOM 272 CA VAL A 17 36.671 49.265 18.124 1.00 0.00 C ATOM 273 C VAL A 17 35.157 49.049 18.159 1.00 0.00 C ATOM 274 O VAL A 17 34.389 49.993 18.336 1.00 0.00 O ATOM 275 CB VAL A 17 37.348 48.509 19.264 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.870 48.596 19.212 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.867 48.979 20.634 1.00 0.00 C ATOM 0 H VAL A 17 36.420 51.185 18.832 1.00 0.00 H new ATOM 0 HA VAL A 17 37.040 48.871 17.177 1.00 0.00 H new ATOM 0 HB VAL A 17 37.059 47.468 19.123 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.295 48.040 20.047 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.227 48.171 18.274 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.177 49.640 19.277 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.377 48.412 21.413 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.088 50.040 20.753 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.792 48.822 20.716 1.00 0.00 H new ATOM 287 N GLU A 18 34.706 47.803 18.033 1.00 0.00 N ATOM 288 CA GLU A 18 33.327 47.383 18.178 1.00 0.00 C ATOM 289 C GLU A 18 33.244 46.134 19.058 1.00 0.00 C ATOM 290 O GLU A 18 34.248 45.439 19.192 1.00 0.00 O ATOM 291 CB GLU A 18 32.721 47.134 16.800 1.00 0.00 C ATOM 292 CG GLU A 18 32.632 48.359 15.894 1.00 0.00 C ATOM 293 CD GLU A 18 31.721 49.466 16.428 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.549 49.189 16.764 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.140 50.642 16.492 1.00 0.00 O ATOM 0 H GLU A 18 35.329 47.025 17.816 1.00 0.00 H new ATOM 0 HA GLU A 18 32.755 48.171 18.667 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.312 46.371 16.294 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.719 46.726 16.931 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.633 48.765 15.750 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.271 48.047 14.914 1.00 0.00 H new ATOM 302 N PRO A 19 32.099 45.781 19.638 1.00 0.00 N ATOM 303 CA PRO A 19 31.972 44.599 20.466 1.00 0.00 C ATOM 304 C PRO A 19 32.334 43.284 19.775 1.00 0.00 C ATOM 305 O PRO A 19 32.756 42.334 20.429 1.00 0.00 O ATOM 306 CB PRO A 19 30.523 44.578 20.943 1.00 0.00 C ATOM 307 CG PRO A 19 30.120 46.050 20.903 1.00 0.00 C ATOM 308 CD PRO A 19 30.882 46.565 19.685 1.00 0.00 C ATOM 0 HA PRO A 19 32.691 44.666 21.283 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.894 43.971 20.292 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.436 44.164 21.948 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.043 46.173 20.790 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.408 46.575 21.814 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.298 46.440 18.773 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.102 47.628 19.779 1.00 0.00 H new ATOM 316 N SER A 20 32.189 43.240 18.453 1.00 0.00 N ATOM 317 CA SER A 20 32.538 42.129 17.591 1.00 0.00 C ATOM 318 C SER A 20 33.886 42.305 16.890 1.00 0.00 C ATOM 319 O SER A 20 34.155 41.655 15.882 1.00 0.00 O ATOM 320 CB SER A 20 31.435 41.849 16.573 1.00 0.00 C ATOM 321 OG SER A 20 30.162 41.864 17.179 1.00 0.00 O ATOM 0 H SER A 20 31.802 44.027 17.931 1.00 0.00 H new ATOM 0 HA SER A 20 32.639 41.264 18.247 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.471 42.596 15.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.606 40.879 16.106 1.00 0.00 H new ATOM 0 HG SER A 20 29.476 41.683 16.503 1.00 0.00 H new ATOM 327 N ASP A 21 34.741 43.214 17.352 1.00 0.00 N ATOM 328 CA ASP A 21 36.068 43.435 16.813 1.00 0.00 C ATOM 329 C ASP A 21 37.093 42.516 17.479 1.00 0.00 C ATOM 330 O ASP A 21 36.979 42.219 18.667 1.00 0.00 O ATOM 331 CB ASP A 21 36.423 44.912 16.964 1.00 0.00 C ATOM 332 CG ASP A 21 37.464 45.414 15.960 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.778 44.695 14.987 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.856 46.597 16.059 1.00 0.00 O ATOM 0 H ASP A 21 34.518 43.831 18.133 1.00 0.00 H new ATOM 0 HA ASP A 21 36.083 43.184 15.752 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.515 45.505 16.856 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.797 45.083 17.974 1.00 0.00 H new ATOM 339 N THR A 22 38.079 42.027 16.732 1.00 0.00 N ATOM 340 CA THR A 22 39.004 41.004 17.177 1.00 0.00 C ATOM 341 C THR A 22 40.253 41.568 17.858 1.00 0.00 C ATOM 342 O THR A 22 40.688 42.685 17.589 1.00 0.00 O ATOM 343 CB THR A 22 39.424 40.066 16.048 1.00 0.00 C ATOM 344 OG1 THR A 22 40.119 40.790 15.057 1.00 0.00 O ATOM 345 CG2 THR A 22 38.250 39.360 15.376 1.00 0.00 C ATOM 0 H THR A 22 38.256 42.343 15.778 1.00 0.00 H new ATOM 0 HA THR A 22 38.444 40.436 17.920 1.00 0.00 H new ATOM 0 HB THR A 22 40.055 39.306 16.509 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.387 40.183 14.336 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.621 38.710 14.584 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.714 38.763 16.114 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.575 40.102 14.950 1.00 0.00 H new ATOM 353 N ILE A 23 40.912 40.744 18.667 1.00 0.00 N ATOM 354 CA ILE A 23 42.222 41.046 19.210 1.00 0.00 C ATOM 355 C ILE A 23 43.253 41.216 18.094 1.00 0.00 C ATOM 356 O ILE A 23 44.107 42.096 18.179 1.00 0.00 O ATOM 357 CB ILE A 23 42.612 39.971 20.219 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.637 39.856 21.387 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.037 40.129 20.744 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.452 41.108 22.240 1.00 0.00 C ATOM 0 H ILE A 23 40.544 39.840 18.964 1.00 0.00 H new ATOM 0 HA ILE A 23 42.190 42.000 19.737 1.00 0.00 H new ATOM 0 HB ILE A 23 42.563 39.042 19.651 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.664 39.564 20.993 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.974 39.047 22.035 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.252 39.333 21.457 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.740 40.071 19.913 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.138 41.096 21.237 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.737 40.903 23.037 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.409 41.396 22.676 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.078 41.921 21.617 1.00 0.00 H new ATOM 372 N GLU A 24 43.145 40.463 17.002 1.00 0.00 N ATOM 373 CA GLU A 24 43.957 40.643 15.815 1.00 0.00 C ATOM 374 C GLU A 24 43.792 42.026 15.183 1.00 0.00 C ATOM 375 O GLU A 24 44.764 42.625 14.727 1.00 0.00 O ATOM 376 CB GLU A 24 43.604 39.537 14.825 1.00 0.00 C ATOM 377 CG GLU A 24 44.537 39.484 13.619 1.00 0.00 C ATOM 378 CD GLU A 24 44.286 38.215 12.801 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.817 37.149 13.178 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.591 38.262 11.763 1.00 0.00 O ATOM 0 H GLU A 24 42.476 39.697 16.922 1.00 0.00 H new ATOM 0 HA GLU A 24 45.007 40.579 16.099 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.632 38.576 15.339 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.581 39.683 14.478 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.382 40.363 12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.574 39.509 13.953 1.00 0.00 H new ATOM 387 N ASN A 25 42.585 42.582 15.207 1.00 0.00 N ATOM 388 CA ASN A 25 42.314 43.919 14.721 1.00 0.00 C ATOM 389 C ASN A 25 42.816 45.013 15.667 1.00 0.00 C ATOM 390 O ASN A 25 43.293 46.040 15.190 1.00 0.00 O ATOM 391 CB ASN A 25 40.821 44.063 14.439 1.00 0.00 C ATOM 392 CG ASN A 25 40.355 43.282 13.209 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.130 42.669 12.480 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.049 43.273 12.958 1.00 0.00 N ATOM 0 H ASN A 25 41.760 42.105 15.571 1.00 0.00 H new ATOM 0 HA ASN A 25 42.872 44.057 13.795 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.260 43.723 15.310 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.585 45.118 14.300 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.687 42.755 12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.409 43.784 13.566 1.00 0.00 H new ATOM 401 N VAL A 26 42.776 44.789 16.977 1.00 0.00 N ATOM 402 CA VAL A 26 43.368 45.683 17.952 1.00 0.00 C ATOM 403 C VAL A 26 44.890 45.722 17.800 1.00 0.00 C ATOM 404 O VAL A 26 45.449 46.812 17.704 1.00 0.00 O ATOM 405 CB VAL A 26 42.956 45.336 19.380 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.644 46.233 20.405 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.453 45.515 19.568 1.00 0.00 C ATOM 0 H VAL A 26 42.326 43.972 17.390 1.00 0.00 H new ATOM 0 HA VAL A 26 42.982 46.683 17.752 1.00 0.00 H new ATOM 0 HB VAL A 26 43.250 44.298 19.537 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.323 45.952 21.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.725 46.116 20.324 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.377 47.273 20.216 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.182 45.262 20.593 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.182 46.551 19.366 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.920 44.860 18.879 1.00 0.00 H new ATOM 417 N LYS A 27 45.562 44.581 17.672 1.00 0.00 N ATOM 418 CA LYS A 27 46.998 44.509 17.494 1.00 0.00 C ATOM 419 C LYS A 27 47.478 45.234 16.233 1.00 0.00 C ATOM 420 O LYS A 27 48.478 45.945 16.280 1.00 0.00 O ATOM 421 CB LYS A 27 47.450 43.051 17.512 1.00 0.00 C ATOM 422 CG LYS A 27 47.341 42.426 18.900 1.00 0.00 C ATOM 423 CD LYS A 27 47.503 40.908 18.901 1.00 0.00 C ATOM 424 CE LYS A 27 48.889 40.458 18.449 1.00 0.00 C ATOM 425 NZ LYS A 27 48.978 38.991 18.383 1.00 0.00 N ATOM 0 H LYS A 27 45.110 43.667 17.690 1.00 0.00 H new ATOM 0 HA LYS A 27 47.461 45.033 18.330 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.846 42.477 16.810 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.483 42.989 17.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.100 42.865 19.547 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.371 42.680 19.329 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.313 40.528 19.905 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.752 40.467 18.246 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.110 40.883 17.470 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.641 40.840 19.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.954 38.712 18.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.707 38.585 19.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.336 38.637 17.645 1.00 0.00 H new ATOM 439 N ALA A 28 46.722 45.144 15.144 1.00 0.00 N ATOM 440 CA ALA A 28 46.964 45.913 13.940 1.00 0.00 C ATOM 441 C ALA A 28 46.734 47.414 14.132 1.00 0.00 C ATOM 442 O ALA A 28 47.523 48.227 13.656 1.00 0.00 O ATOM 443 CB ALA A 28 46.107 45.350 12.812 1.00 0.00 C ATOM 0 H ALA A 28 45.914 44.525 15.077 1.00 0.00 H new ATOM 0 HA ALA A 28 48.018 45.816 13.681 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.282 45.923 11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.371 44.306 12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.054 45.418 13.086 1.00 0.00 H new ATOM 449 N LYS A 29 45.715 47.815 14.887 1.00 0.00 N ATOM 450 CA LYS A 29 45.434 49.205 15.183 1.00 0.00 C ATOM 451 C LYS A 29 46.418 49.839 16.169 1.00 0.00 C ATOM 452 O LYS A 29 46.604 51.053 16.118 1.00 0.00 O ATOM 453 CB LYS A 29 43.972 49.369 15.590 1.00 0.00 C ATOM 454 CG LYS A 29 43.111 49.470 14.335 1.00 0.00 C ATOM 455 CD LYS A 29 41.614 49.654 14.572 1.00 0.00 C ATOM 456 CE LYS A 29 40.917 48.373 15.020 1.00 0.00 C ATOM 457 NZ LYS A 29 39.456 48.548 14.999 1.00 0.00 N ATOM 0 H LYS A 29 45.054 47.167 15.315 1.00 0.00 H new ATOM 0 HA LYS A 29 45.591 49.773 14.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.654 48.521 16.197 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.850 50.263 16.202 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.471 50.307 13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.258 48.567 13.742 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.464 50.425 15.327 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.148 50.012 13.654 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.200 47.549 14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.243 48.107 16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.995 47.648 15.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.183 49.274 15.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.156 48.846 14.049 1.00 0.00 H new ATOM 471 N ILE A 30 47.096 49.045 16.993 1.00 0.00 N ATOM 472 CA ILE A 30 48.261 49.441 17.759 1.00 0.00 C ATOM 473 C ILE A 30 49.453 49.677 16.830 1.00 0.00 C ATOM 474 O ILE A 30 50.082 50.730 16.922 1.00 0.00 O ATOM 475 CB ILE A 30 48.570 48.414 18.845 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.482 48.437 19.916 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.940 48.635 19.480 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.518 47.247 20.871 1.00 0.00 C ATOM 0 H ILE A 30 46.834 48.071 17.147 1.00 0.00 H new ATOM 0 HA ILE A 30 48.049 50.383 18.264 1.00 0.00 H new ATOM 0 HB ILE A 30 48.590 47.434 18.367 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.577 49.356 20.495 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.508 48.467 19.428 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.112 47.879 20.246 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.712 48.559 18.715 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.975 49.626 19.933 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.713 47.341 21.600 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.391 46.323 20.306 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.476 47.226 21.390 1.00 0.00 H new ATOM 490 N GLN A 31 49.736 48.767 15.902 1.00 0.00 N ATOM 491 CA GLN A 31 50.793 48.916 14.924 1.00 0.00 C ATOM 492 C GLN A 31 50.616 50.190 14.095 1.00 0.00 C ATOM 493 O GLN A 31 51.575 50.930 13.886 1.00 0.00 O ATOM 494 CB GLN A 31 50.830 47.688 14.018 1.00 0.00 C ATOM 495 CG GLN A 31 52.029 47.656 13.074 1.00 0.00 C ATOM 496 CD GLN A 31 51.927 46.582 11.989 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.854 46.097 11.634 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.053 46.175 11.408 1.00 0.00 N ATOM 0 H GLN A 31 49.223 47.890 15.813 1.00 0.00 H new ATOM 0 HA GLN A 31 51.741 49.002 15.455 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.843 46.791 14.637 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.914 47.655 13.428 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.133 48.632 12.599 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.935 47.487 13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.948 46.572 11.696 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.021 45.467 10.675 1.00 0.00 H new ATOM 507 N ASP A 32 49.393 50.495 13.672 1.00 0.00 N ATOM 508 CA ASP A 32 49.066 51.669 12.889 1.00 0.00 C ATOM 509 C ASP A 32 49.263 53.005 13.608 1.00 0.00 C ATOM 510 O ASP A 32 49.287 54.044 12.950 1.00 0.00 O ATOM 511 CB ASP A 32 47.639 51.520 12.371 1.00 0.00 C ATOM 512 CG ASP A 32 47.361 52.430 11.172 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.970 52.223 10.102 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.491 53.323 11.265 1.00 0.00 O ATOM 0 H ASP A 32 48.582 49.911 13.874 1.00 0.00 H new ATOM 0 HA ASP A 32 49.779 51.712 12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.464 50.483 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.937 51.753 13.172 1.00 0.00 H new ATOM 519 N LYS A 33 49.449 53.003 14.925 1.00 0.00 N ATOM 520 CA LYS A 33 49.832 54.163 15.704 1.00 0.00 C ATOM 521 C LYS A 33 51.298 54.129 16.141 1.00 0.00 C ATOM 522 O LYS A 33 52.044 55.049 15.815 1.00 0.00 O ATOM 523 CB LYS A 33 48.899 54.364 16.894 1.00 0.00 C ATOM 524 CG LYS A 33 47.483 54.724 16.454 1.00 0.00 C ATOM 525 CD LYS A 33 46.642 55.223 17.626 1.00 0.00 C ATOM 526 CE LYS A 33 45.227 55.519 17.135 1.00 0.00 C ATOM 527 NZ LYS A 33 44.424 56.219 18.148 1.00 0.00 N ATOM 0 H LYS A 33 49.332 52.163 15.492 1.00 0.00 H new ATOM 0 HA LYS A 33 49.730 55.025 15.045 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.872 53.453 17.492 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.292 55.154 17.534 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.525 55.492 15.682 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.006 53.851 16.009 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.617 54.473 18.417 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.088 56.121 18.053 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.277 56.125 16.231 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.735 54.585 16.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.593 56.651 17.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.110 55.541 18.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.999 56.961 18.595 1.00 0.00 H new ATOM 541 N GLU A 34 51.713 53.097 16.871 1.00 0.00 N ATOM 542 CA GLU A 34 52.982 53.035 17.566 1.00 0.00 C ATOM 543 C GLU A 34 54.073 52.273 16.810 1.00 0.00 C ATOM 544 O GLU A 34 55.223 52.243 17.244 1.00 0.00 O ATOM 545 CB GLU A 34 52.775 52.427 18.950 1.00 0.00 C ATOM 546 CG GLU A 34 51.776 53.154 19.847 1.00 0.00 C ATOM 547 CD GLU A 34 52.238 54.558 20.241 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.082 54.690 21.155 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.783 55.557 19.645 1.00 0.00 O ATOM 0 H GLU A 34 51.151 52.255 16.995 1.00 0.00 H new ATOM 0 HA GLU A 34 53.341 54.061 17.646 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.443 51.396 18.828 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.738 52.394 19.460 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.818 53.224 19.332 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.611 52.565 20.749 1.00 0.00 H new ATOM 556 N GLY A 35 53.747 51.634 15.690 1.00 0.00 N ATOM 557 CA GLY A 35 54.693 50.942 14.838 1.00 0.00 C ATOM 558 C GLY A 35 55.132 49.551 15.301 1.00 0.00 C ATOM 559 O GLY A 35 55.818 48.858 14.553 1.00 0.00 O ATOM 0 H GLY A 35 52.788 51.585 15.345 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.254 50.849 13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.582 51.565 14.737 1.00 0.00 H new ATOM 563 N ILE A 36 54.726 49.109 16.488 1.00 0.00 N ATOM 564 CA ILE A 36 55.138 47.856 17.087 1.00 0.00 C ATOM 565 C ILE A 36 54.536 46.694 16.296 1.00 0.00 C ATOM 566 O ILE A 36 53.311 46.615 16.235 1.00 0.00 O ATOM 567 CB ILE A 36 54.736 47.804 18.559 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.347 48.955 19.353 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.168 46.478 19.179 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.659 49.217 20.690 1.00 0.00 C ATOM 0 H ILE A 36 54.079 49.636 17.074 1.00 0.00 H new ATOM 0 HA ILE A 36 56.224 47.774 17.049 1.00 0.00 H new ATOM 0 HB ILE A 36 53.651 47.896 18.602 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.400 48.740 19.533 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.305 49.862 18.750 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.875 46.455 20.229 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.687 45.655 18.650 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.250 46.376 19.102 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.150 50.049 21.195 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.611 49.464 20.518 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.724 48.325 21.313 1.00 0.00 H new ATOM 582 N PRO A 37 55.320 45.795 15.706 1.00 0.00 N ATOM 583 CA PRO A 37 54.803 44.710 14.898 1.00 0.00 C ATOM 584 C PRO A 37 53.874 43.787 15.689 1.00 0.00 C ATOM 585 O PRO A 37 54.194 43.449 16.827 1.00 0.00 O ATOM 586 CB PRO A 37 56.011 43.946 14.363 1.00 0.00 C ATOM 587 CG PRO A 37 57.124 44.990 14.389 1.00 0.00 C ATOM 588 CD PRO A 37 56.767 45.813 15.624 1.00 0.00 C ATOM 0 HA PRO A 37 54.196 45.108 14.085 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.252 43.085 14.987 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.835 43.570 13.355 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.109 44.532 14.476 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.133 45.597 13.484 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.215 45.386 16.521 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.141 46.833 15.536 1.00 0.00 H new ATOM 596 N PRO A 38 52.742 43.346 15.146 1.00 0.00 N ATOM 597 CA PRO A 38 51.755 42.576 15.875 1.00 0.00 C ATOM 598 C PRO A 38 52.277 41.233 16.386 1.00 0.00 C ATOM 599 O PRO A 38 51.904 40.803 17.475 1.00 0.00 O ATOM 600 CB PRO A 38 50.576 42.413 14.919 1.00 0.00 C ATOM 601 CG PRO A 38 51.202 42.555 13.535 1.00 0.00 C ATOM 602 CD PRO A 38 52.291 43.593 13.791 1.00 0.00 C ATOM 0 HA PRO A 38 51.467 43.097 16.788 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.094 41.443 15.042 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.813 43.172 15.092 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.612 41.612 13.173 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.480 42.894 12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.109 43.489 13.079 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.902 44.606 13.684 1.00 0.00 H new ATOM 610 N ASP A 39 53.215 40.602 15.685 1.00 0.00 N ATOM 611 CA ASP A 39 53.903 39.404 16.120 1.00 0.00 C ATOM 612 C ASP A 39 54.809 39.603 17.338 1.00 0.00 C ATOM 613 O ASP A 39 55.172 38.642 18.011 1.00 0.00 O ATOM 614 CB ASP A 39 54.657 38.804 14.937 1.00 0.00 C ATOM 615 CG ASP A 39 55.624 39.778 14.261 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.154 40.585 13.431 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.844 39.697 14.525 1.00 0.00 O ATOM 0 H ASP A 39 53.523 40.927 14.768 1.00 0.00 H new ATOM 0 HA ASP A 39 53.144 38.703 16.468 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.215 37.932 15.278 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.936 38.452 14.199 1.00 0.00 H new ATOM 622 N GLN A 40 55.120 40.851 17.676 1.00 0.00 N ATOM 623 CA GLN A 40 55.899 41.257 18.829 1.00 0.00 C ATOM 624 C GLN A 40 55.043 41.627 20.042 1.00 0.00 C ATOM 625 O GLN A 40 55.588 41.779 21.133 1.00 0.00 O ATOM 626 CB GLN A 40 56.787 42.425 18.409 1.00 0.00 C ATOM 627 CG GLN A 40 58.106 42.485 19.172 1.00 0.00 C ATOM 628 CD GLN A 40 59.008 43.603 18.642 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.339 44.556 19.343 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.448 43.525 17.390 1.00 0.00 N ATOM 0 H GLN A 40 54.815 41.648 17.117 1.00 0.00 H new ATOM 0 HA GLN A 40 56.501 40.408 19.153 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.996 42.348 17.342 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.244 43.358 18.561 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.908 42.647 20.232 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.621 41.528 19.086 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.177 42.736 16.802 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.057 44.254 17.017 1.00 0.00 H new ATOM 639 N GLN A 41 53.729 41.763 19.885 1.00 0.00 N ATOM 640 CA GLN A 41 52.810 42.196 20.918 1.00 0.00 C ATOM 641 C GLN A 41 52.163 41.018 21.649 1.00 0.00 C ATOM 642 O GLN A 41 51.816 40.021 21.020 1.00 0.00 O ATOM 643 CB GLN A 41 51.694 43.052 20.326 1.00 0.00 C ATOM 644 CG GLN A 41 52.104 44.293 19.537 1.00 0.00 C ATOM 645 CD GLN A 41 50.898 44.972 18.883 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.765 44.882 19.351 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.044 45.654 17.751 1.00 0.00 N ATOM 0 H GLN A 41 53.264 41.566 18.999 1.00 0.00 H new ATOM 0 HA GLN A 41 53.402 42.774 21.627 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.095 42.419 19.671 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.045 43.371 21.142 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.603 44.998 20.202 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.825 44.014 18.769 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.968 45.752 17.330 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.232 46.079 17.303 1.00 0.00 H new ATOM 656 N ARG A 42 51.876 41.177 22.937 1.00 0.00 N ATOM 657 CA ARG A 42 50.842 40.462 23.658 1.00 0.00 C ATOM 658 C ARG A 42 50.002 41.441 24.482 1.00 0.00 C ATOM 659 O ARG A 42 50.554 42.350 25.098 1.00 0.00 O ATOM 660 CB ARG A 42 51.432 39.360 24.533 1.00 0.00 C ATOM 661 CG ARG A 42 51.875 38.135 23.737 1.00 0.00 C ATOM 662 CD ARG A 42 52.324 37.018 24.675 1.00 0.00 C ATOM 663 NE ARG A 42 52.537 35.749 23.978 1.00 0.00 N ATOM 664 CZ ARG A 42 52.666 34.547 24.557 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.535 34.363 25.878 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.923 33.480 23.787 1.00 0.00 N ATOM 0 H ARG A 42 52.382 41.837 23.527 1.00 0.00 H new ATOM 0 HA ARG A 42 50.190 39.976 22.932 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.286 39.758 25.081 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.692 39.057 25.273 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.054 37.784 23.112 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.692 38.405 23.068 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.248 37.315 25.172 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.574 36.879 25.454 1.00 0.00 H new ATOM 0 HE ARG A 42 52.592 35.782 22.960 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.329 35.156 26.485 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.641 33.430 26.276 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.017 33.590 22.777 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.024 32.558 24.211 1.00 0.00 H new ATOM 680 N LEU A 43 48.685 41.255 24.500 1.00 0.00 N ATOM 681 CA LEU A 43 47.736 42.111 25.182 1.00 0.00 C ATOM 682 C LEU A 43 47.123 41.429 26.406 1.00 0.00 C ATOM 683 O LEU A 43 46.722 40.269 26.328 1.00 0.00 O ATOM 684 CB LEU A 43 46.664 42.594 24.209 1.00 0.00 C ATOM 685 CG LEU A 43 47.170 43.315 22.963 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.991 43.820 22.136 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.060 44.515 23.272 1.00 0.00 C ATOM 0 H LEU A 43 48.239 40.473 24.020 1.00 0.00 H new ATOM 0 HA LEU A 43 48.277 42.981 25.554 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.074 41.734 23.893 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.990 43.263 24.744 1.00 0.00 H new ATOM 0 HG LEU A 43 47.763 42.580 22.419 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.362 44.333 21.249 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.370 42.976 21.834 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.397 44.512 22.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.383 44.978 22.340 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.501 45.240 23.863 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.933 44.185 23.834 1.00 0.00 H new ATOM 699 N ILE A 44 47.044 42.151 27.520 1.00 0.00 N ATOM 700 CA ILE A 44 46.572 41.678 28.807 1.00 0.00 C ATOM 701 C ILE A 44 45.387 42.519 29.285 1.00 0.00 C ATOM 702 O ILE A 44 45.480 43.744 29.315 1.00 0.00 O ATOM 703 CB ILE A 44 47.686 41.712 29.848 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.038 41.172 29.390 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.257 41.014 31.135 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.072 39.709 28.956 1.00 0.00 C ATOM 0 H ILE A 44 47.323 43.132 27.545 1.00 0.00 H new ATOM 0 HA ILE A 44 46.248 40.645 28.683 1.00 0.00 H new ATOM 0 HB ILE A 44 47.846 42.775 30.025 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.386 41.784 28.558 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.752 41.304 30.203 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.071 41.054 31.859 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.381 41.515 31.546 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.012 39.974 30.921 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.085 39.443 28.653 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.764 39.076 29.788 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.392 39.563 28.117 1.00 0.00 H new ATOM 718 N PHE A 45 44.297 41.891 29.716 1.00 0.00 N ATOM 719 CA PHE A 45 43.169 42.540 30.352 1.00 0.00 C ATOM 720 C PHE A 45 42.795 41.852 31.666 1.00 0.00 C ATOM 721 O PHE A 45 42.641 40.634 31.715 1.00 0.00 O ATOM 722 CB PHE A 45 41.975 42.589 29.401 1.00 0.00 C ATOM 723 CG PHE A 45 40.702 43.115 30.020 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.602 44.464 30.383 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.624 42.257 30.265 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.437 44.951 30.988 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.451 42.741 30.857 1.00 0.00 C ATOM 728 CZ PHE A 45 38.358 44.090 31.221 1.00 0.00 C ATOM 0 H PHE A 45 44.177 40.882 29.626 1.00 0.00 H new ATOM 0 HA PHE A 45 43.461 43.562 30.591 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.233 43.214 28.546 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.790 41.585 29.018 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.429 45.133 30.195 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.697 41.214 29.995 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.371 45.990 31.275 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.619 42.075 31.033 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.456 44.465 31.681 1.00 0.00 H new ATOM 738 N ALA A 46 42.643 42.631 32.733 1.00 0.00 N ATOM 739 CA ALA A 46 42.349 42.190 34.082 1.00 0.00 C ATOM 740 C ALA A 46 43.200 41.003 34.541 1.00 0.00 C ATOM 741 O ALA A 46 42.692 40.061 35.144 1.00 0.00 O ATOM 742 CB ALA A 46 40.842 42.010 34.232 1.00 0.00 C ATOM 0 H ALA A 46 42.728 43.645 32.669 1.00 0.00 H new ATOM 0 HA ALA A 46 42.652 42.967 34.784 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.614 41.678 35.245 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.341 42.959 34.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.492 41.264 33.519 1.00 0.00 H new ATOM 748 N GLY A 47 44.493 41.019 34.232 1.00 0.00 N ATOM 749 CA GLY A 47 45.439 39.970 34.557 1.00 0.00 C ATOM 750 C GLY A 47 45.450 38.745 33.641 1.00 0.00 C ATOM 751 O GLY A 47 46.264 37.852 33.869 1.00 0.00 O ATOM 0 H GLY A 47 44.922 41.796 33.729 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.439 40.403 34.558 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.237 39.633 35.574 1.00 0.00 H new ATOM 755 N LYS A 48 44.622 38.677 32.603 1.00 0.00 N ATOM 756 CA LYS A 48 44.532 37.566 31.675 1.00 0.00 C ATOM 757 C LYS A 48 44.988 37.948 30.266 1.00 0.00 C ATOM 758 O LYS A 48 44.652 39.019 29.764 1.00 0.00 O ATOM 759 CB LYS A 48 43.116 37.000 31.698 1.00 0.00 C ATOM 760 CG LYS A 48 42.962 35.732 30.863 1.00 0.00 C ATOM 761 CD LYS A 48 41.630 35.022 31.085 1.00 0.00 C ATOM 762 CE LYS A 48 41.600 34.310 32.434 1.00 0.00 C ATOM 763 NZ LYS A 48 40.348 33.564 32.641 1.00 0.00 N ATOM 0 H LYS A 48 43.970 39.429 32.380 1.00 0.00 H new ATOM 0 HA LYS A 48 45.220 36.785 31.998 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.834 36.785 32.729 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.423 37.756 31.329 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.059 35.986 29.808 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.775 35.047 31.102 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.817 35.746 31.035 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.463 34.300 30.286 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.445 33.624 32.500 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.721 35.042 33.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.372 33.097 33.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.542 34.221 32.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.244 32.847 31.895 1.00 0.00 H new ATOM 777 N GLN A 49 45.740 37.060 29.623 1.00 0.00 N ATOM 778 CA GLN A 49 46.270 37.230 28.285 1.00 0.00 C ATOM 779 C GLN A 49 45.188 37.029 27.223 1.00 0.00 C ATOM 780 O GLN A 49 44.335 36.154 27.355 1.00 0.00 O ATOM 781 CB GLN A 49 47.453 36.280 28.123 1.00 0.00 C ATOM 782 CG GLN A 49 48.324 36.519 26.894 1.00 0.00 C ATOM 783 CD GLN A 49 49.506 35.547 26.887 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.561 35.791 27.469 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.366 34.404 26.223 1.00 0.00 N ATOM 0 H GLN A 49 46.004 36.168 30.042 1.00 0.00 H new ATOM 0 HA GLN A 49 46.620 38.252 28.141 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.080 36.354 29.011 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.074 35.259 28.085 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.731 36.389 25.988 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.688 37.546 26.892 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.492 34.199 25.739 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.133 33.732 26.197 1.00 0.00 H new ATOM 794 N LEU A 50 45.218 37.828 26.160 1.00 0.00 N ATOM 795 CA LEU A 50 44.222 37.845 25.107 1.00 0.00 C ATOM 796 C LEU A 50 44.764 37.224 23.818 1.00 0.00 C ATOM 797 O LEU A 50 45.911 37.469 23.451 1.00 0.00 O ATOM 798 CB LEU A 50 43.761 39.282 24.880 1.00 0.00 C ATOM 799 CG LEU A 50 43.243 40.014 26.115 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.872 41.449 25.748 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.008 39.334 26.700 1.00 0.00 C ATOM 0 H LEU A 50 45.966 38.504 26.008 1.00 0.00 H new ATOM 0 HA LEU A 50 43.368 37.240 25.413 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.594 39.850 24.466 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.973 39.277 24.126 1.00 0.00 H new ATOM 0 HG LEU A 50 44.039 39.998 26.859 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.503 41.967 26.633 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.752 41.966 25.366 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.096 41.440 24.983 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.670 39.885 27.577 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.214 39.318 25.954 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.257 38.312 26.987 1.00 0.00 H new ATOM 813 N GLU A 51 43.945 36.460 23.100 1.00 0.00 N ATOM 814 CA GLU A 51 44.294 35.779 21.870 1.00 0.00 C ATOM 815 C GLU A 51 43.548 36.323 20.650 1.00 0.00 C ATOM 816 O GLU A 51 42.344 36.568 20.688 1.00 0.00 O ATOM 817 CB GLU A 51 44.115 34.272 22.032 1.00 0.00 C ATOM 818 CG GLU A 51 44.424 33.487 20.760 1.00 0.00 C ATOM 819 CD GLU A 51 44.581 31.989 21.027 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.616 31.347 21.498 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.689 31.474 20.764 1.00 0.00 O ATOM 0 H GLU A 51 42.977 36.295 23.378 1.00 0.00 H new ATOM 0 HA GLU A 51 45.347 35.980 21.673 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.764 33.920 22.834 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.089 34.066 22.338 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.624 33.643 20.036 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.340 33.872 20.311 1.00 0.00 H new ATOM 828 N ASP A 52 44.291 36.460 19.555 1.00 0.00 N ATOM 829 CA ASP A 52 43.949 37.048 18.276 1.00 0.00 C ATOM 830 C ASP A 52 42.546 36.760 17.740 1.00 0.00 C ATOM 831 O ASP A 52 41.816 37.697 17.424 1.00 0.00 O ATOM 832 CB ASP A 52 44.989 36.571 17.267 1.00 0.00 C ATOM 833 CG ASP A 52 46.389 37.103 17.582 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.872 37.981 16.836 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.001 36.660 18.578 1.00 0.00 O ATOM 0 H ASP A 52 45.253 36.122 19.549 1.00 0.00 H new ATOM 0 HA ASP A 52 43.949 38.127 18.430 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.010 35.481 17.258 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.697 36.893 16.267 1.00 0.00 H new ATOM 840 N GLY A 53 42.171 35.489 17.624 1.00 0.00 N ATOM 841 CA GLY A 53 41.026 35.050 16.852 1.00 0.00 C ATOM 842 C GLY A 53 39.642 35.225 17.483 1.00 0.00 C ATOM 843 O GLY A 53 38.683 34.685 16.936 1.00 0.00 O ATOM 0 H GLY A 53 42.670 34.723 18.077 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.034 35.586 15.903 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.160 33.993 16.622 1.00 0.00 H new ATOM 847 N ARG A 54 39.518 35.911 18.615 1.00 0.00 N ATOM 848 CA ARG A 54 38.276 36.126 19.331 1.00 0.00 C ATOM 849 C ARG A 54 37.992 37.611 19.562 1.00 0.00 C ATOM 850 O ARG A 54 38.899 38.436 19.471 1.00 0.00 O ATOM 851 CB ARG A 54 38.233 35.284 20.604 1.00 0.00 C ATOM 852 CG ARG A 54 38.361 33.794 20.302 1.00 0.00 C ATOM 853 CD ARG A 54 38.061 32.871 21.480 1.00 0.00 C ATOM 854 NE ARG A 54 38.964 33.045 22.618 1.00 0.00 N ATOM 855 CZ ARG A 54 40.210 32.571 22.760 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.909 32.040 21.747 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.807 32.612 23.958 1.00 0.00 N ATOM 0 H ARG A 54 40.317 36.349 19.073 1.00 0.00 H new ATOM 0 HA ARG A 54 37.455 35.780 18.704 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.040 35.591 21.270 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.297 35.469 21.131 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.686 33.545 19.483 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.374 33.595 19.952 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.037 33.044 21.812 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.116 31.837 21.141 1.00 0.00 H new ATOM 0 HE ARG A 54 38.602 33.593 23.398 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.495 31.983 20.816 1.00 0.00 H new ATOM 0 HH12 ARG A 54 41.855 31.693 21.907 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.314 33.003 24.760 1.00 0.00 H new ATOM 0 HH22 ARG A 54 41.755 32.252 24.068 1.00 0.00 H new ATOM 871 N THR A 55 36.733 37.967 19.802 1.00 0.00 N ATOM 872 CA THR A 55 36.285 39.344 19.858 1.00 0.00 C ATOM 873 C THR A 55 36.316 39.944 21.265 1.00 0.00 C ATOM 874 O THR A 55 36.315 39.208 22.250 1.00 0.00 O ATOM 875 CB THR A 55 34.906 39.559 19.240 1.00 0.00 C ATOM 876 OG1 THR A 55 33.891 38.989 20.035 1.00 0.00 O ATOM 877 CG2 THR A 55 34.769 38.983 17.835 1.00 0.00 C ATOM 0 H THR A 55 35.987 37.291 19.965 1.00 0.00 H new ATOM 0 HA THR A 55 37.017 39.876 19.251 1.00 0.00 H new ATOM 0 HB THR A 55 34.796 40.642 19.184 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.871 38.019 19.894 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.763 39.173 17.460 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.497 39.455 17.176 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.948 37.908 17.863 1.00 0.00 H new ATOM 885 N LEU A 56 36.292 41.269 21.380 1.00 0.00 N ATOM 886 CA LEU A 56 36.274 41.964 22.652 1.00 0.00 C ATOM 887 C LEU A 56 35.143 41.505 23.576 1.00 0.00 C ATOM 888 O LEU A 56 35.374 41.308 24.766 1.00 0.00 O ATOM 889 CB LEU A 56 36.195 43.469 22.419 1.00 0.00 C ATOM 890 CG LEU A 56 37.410 44.096 21.740 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.194 45.599 21.598 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.711 43.893 22.511 1.00 0.00 C ATOM 0 H LEU A 56 36.284 41.895 20.575 1.00 0.00 H new ATOM 0 HA LEU A 56 37.205 41.716 23.162 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.314 43.679 21.813 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.045 43.960 23.380 1.00 0.00 H new ATOM 0 HG LEU A 56 37.506 43.598 20.775 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.061 46.047 21.113 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.305 45.783 20.994 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.061 46.042 22.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.532 44.364 21.970 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.622 44.343 23.500 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.910 42.826 22.614 1.00 0.00 H new ATOM 904 N SER A 57 33.952 41.261 23.037 1.00 0.00 N ATOM 905 CA SER A 57 32.841 40.716 23.790 1.00 0.00 C ATOM 906 C SER A 57 33.065 39.282 24.273 1.00 0.00 C ATOM 907 O SER A 57 32.627 38.950 25.372 1.00 0.00 O ATOM 908 CB SER A 57 31.538 40.836 23.005 1.00 0.00 C ATOM 909 OG SER A 57 31.594 40.119 21.791 1.00 0.00 O ATOM 0 H SER A 57 33.735 41.440 22.056 1.00 0.00 H new ATOM 0 HA SER A 57 32.766 41.322 24.693 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.712 40.463 23.611 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.333 41.886 22.799 1.00 0.00 H new ATOM 0 HG SER A 57 31.982 40.687 21.093 1.00 0.00 H new ATOM 915 N ASP A 58 33.813 38.454 23.549 1.00 0.00 N ATOM 916 CA ASP A 58 34.192 37.122 23.976 1.00 0.00 C ATOM 917 C ASP A 58 35.195 37.109 25.131 1.00 0.00 C ATOM 918 O ASP A 58 35.409 36.067 25.745 1.00 0.00 O ATOM 919 CB ASP A 58 34.753 36.296 22.821 1.00 0.00 C ATOM 920 CG ASP A 58 33.825 36.216 21.606 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.625 35.907 21.767 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.303 36.455 20.476 1.00 0.00 O ATOM 0 H ASP A 58 34.178 38.702 22.629 1.00 0.00 H new ATOM 0 HA ASP A 58 33.266 36.673 24.336 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.706 36.725 22.510 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.958 35.286 23.176 1.00 0.00 H new ATOM 927 N TYR A 59 35.794 38.252 25.457 1.00 0.00 N ATOM 928 CA TYR A 59 36.597 38.474 26.642 1.00 0.00 C ATOM 929 C TYR A 59 35.908 39.371 27.672 1.00 0.00 C ATOM 930 O TYR A 59 36.537 39.744 28.660 1.00 0.00 O ATOM 931 CB TYR A 59 37.962 39.027 26.245 1.00 0.00 C ATOM 932 CG TYR A 59 38.785 38.115 25.366 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.922 38.403 24.002 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.430 37.005 25.922 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.698 37.576 23.182 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.227 36.182 25.117 1.00 0.00 C ATOM 937 CZ TYR A 59 40.355 36.464 23.743 1.00 0.00 C ATOM 938 OH TYR A 59 41.141 35.667 22.963 1.00 0.00 O ATOM 0 H TYR A 59 35.725 39.083 24.870 1.00 0.00 H new ATOM 0 HA TYR A 59 36.730 37.510 27.133 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.817 39.975 25.726 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.528 39.243 27.151 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.427 39.266 23.582 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.313 36.783 26.972 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.792 37.789 22.127 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.741 35.335 25.547 1.00 0.00 H new ATOM 0 HH TYR A 59 41.440 36.171 22.177 1.00 0.00 H new ATOM 948 N ASN A 60 34.642 39.722 27.466 1.00 0.00 N ATOM 949 CA ASN A 60 33.879 40.627 28.301 1.00 0.00 C ATOM 950 C ASN A 60 34.535 41.993 28.516 1.00 0.00 C ATOM 951 O ASN A 60 34.420 42.593 29.582 1.00 0.00 O ATOM 952 CB ASN A 60 33.396 39.891 29.548 1.00 0.00 C ATOM 953 CG ASN A 60 32.268 38.913 29.213 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.143 39.311 28.919 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.537 37.610 29.172 1.00 0.00 N ATOM 0 H ASN A 60 34.102 39.365 26.677 1.00 0.00 H new ATOM 0 HA ASN A 60 32.979 40.929 27.765 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.228 39.350 29.999 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.047 40.613 30.287 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.811 36.948 28.898 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.469 37.274 29.415 1.00 0.00 H new ATOM 962 N ILE A 61 35.203 42.506 27.487 1.00 0.00 N ATOM 963 CA ILE A 61 35.827 43.815 27.476 1.00 0.00 C ATOM 964 C ILE A 61 34.772 44.851 27.082 1.00 0.00 C ATOM 965 O ILE A 61 34.340 44.914 25.934 1.00 0.00 O ATOM 966 CB ILE A 61 37.046 43.820 26.559 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.103 42.827 27.035 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.660 45.215 26.489 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.247 42.579 26.055 1.00 0.00 C ATOM 0 H ILE A 61 35.326 42.000 26.610 1.00 0.00 H new ATOM 0 HA ILE A 61 36.200 44.074 28.467 1.00 0.00 H new ATOM 0 HB ILE A 61 36.708 43.522 25.567 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.522 43.188 27.974 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.615 41.876 27.248 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.528 45.198 25.830 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.923 45.918 26.100 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.968 45.527 27.487 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.945 41.860 26.484 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.847 42.183 25.121 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.767 43.516 25.858 1.00 0.00 H new ATOM 981 N GLN A 62 34.336 45.649 28.053 1.00 0.00 N ATOM 982 CA GLN A 62 33.339 46.689 27.899 1.00 0.00 C ATOM 983 C GLN A 62 33.907 47.947 27.237 1.00 0.00 C ATOM 984 O GLN A 62 35.120 48.120 27.145 1.00 0.00 O ATOM 985 CB GLN A 62 32.748 47.024 29.265 1.00 0.00 C ATOM 986 CG GLN A 62 32.125 45.819 29.964 1.00 0.00 C ATOM 987 CD GLN A 62 31.589 46.147 31.358 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.389 46.319 31.565 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.446 46.228 32.372 1.00 0.00 N ATOM 0 H GLN A 62 34.687 45.580 29.008 1.00 0.00 H new ATOM 0 HA GLN A 62 32.558 46.313 27.238 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.531 47.439 29.900 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.990 47.798 29.146 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.312 45.430 29.351 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.870 45.027 30.044 1.00 0.00 H new ATOM 0 HE21 GLN A 62 33.443 46.087 32.210 1.00 0.00 H new ATOM 0 HE22 GLN A 62 32.106 46.431 33.312 1.00 0.00 H new ATOM 998 N LYS A 63 33.040 48.872 26.835 1.00 0.00 N ATOM 999 CA LYS A 63 33.415 50.218 26.453 1.00 0.00 C ATOM 1000 C LYS A 63 34.299 50.909 27.492 1.00 0.00 C ATOM 1001 O LYS A 63 34.119 50.709 28.692 1.00 0.00 O ATOM 1002 CB LYS A 63 32.175 51.037 26.110 1.00 0.00 C ATOM 1003 CG LYS A 63 31.137 51.191 27.218 1.00 0.00 C ATOM 1004 CD LYS A 63 31.257 52.449 28.074 1.00 0.00 C ATOM 1005 CE LYS A 63 30.849 53.695 27.295 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.666 54.842 28.198 1.00 0.00 N ATOM 0 H LYS A 63 32.037 48.697 26.766 1.00 0.00 H new ATOM 0 HA LYS A 63 34.031 50.144 25.557 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.497 52.032 25.802 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.690 50.578 25.248 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.146 51.176 26.765 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.201 50.322 27.873 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.628 52.350 28.959 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.284 52.557 28.423 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.611 53.930 26.552 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.923 53.503 26.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.573 55.713 27.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.806 54.703 28.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.489 54.922 28.829 1.00 0.00 H new ATOM 1020 N GLU A 64 35.253 51.713 27.032 1.00 0.00 N ATOM 1021 CA GLU A 64 36.237 52.444 27.805 1.00 0.00 C ATOM 1022 C GLU A 64 37.223 51.621 28.634 1.00 0.00 C ATOM 1023 O GLU A 64 38.087 52.206 29.285 1.00 0.00 O ATOM 1024 CB GLU A 64 35.601 53.557 28.634 1.00 0.00 C ATOM 1025 CG GLU A 64 34.794 54.577 27.836 1.00 0.00 C ATOM 1026 CD GLU A 64 34.220 55.624 28.791 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.886 56.645 29.063 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.103 55.408 29.311 1.00 0.00 O ATOM 0 H GLU A 64 35.362 51.879 26.032 1.00 0.00 H new ATOM 0 HA GLU A 64 36.868 52.883 27.032 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.949 53.105 29.381 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.389 54.082 29.174 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.428 55.057 27.090 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.988 54.079 27.297 1.00 0.00 H new ATOM 1035 N SER A 65 37.158 50.293 28.587 1.00 0.00 N ATOM 1036 CA SER A 65 38.046 49.416 29.324 1.00 0.00 C ATOM 1037 C SER A 65 39.528 49.687 29.059 1.00 0.00 C ATOM 1038 O SER A 65 39.921 50.011 27.940 1.00 0.00 O ATOM 1039 CB SER A 65 37.792 47.947 29.001 1.00 0.00 C ATOM 1040 OG SER A 65 36.475 47.559 29.326 1.00 0.00 O ATOM 0 H SER A 65 36.471 49.793 28.023 1.00 0.00 H new ATOM 0 HA SER A 65 37.824 49.628 30.370 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.971 47.772 27.940 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.500 47.326 29.550 1.00 0.00 H new ATOM 0 HG SER A 65 35.841 48.056 28.768 1.00 0.00 H new ATOM 1046 N THR A 66 40.349 49.477 30.083 1.00 0.00 N ATOM 1047 CA THR A 66 41.785 49.676 30.053 1.00 0.00 C ATOM 1048 C THR A 66 42.511 48.331 29.983 1.00 0.00 C ATOM 1049 O THR A 66 42.295 47.470 30.833 1.00 0.00 O ATOM 1050 CB THR A 66 42.265 50.474 31.261 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.520 51.663 31.406 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.725 50.897 31.124 1.00 0.00 C ATOM 0 H THR A 66 40.014 49.151 30.990 1.00 0.00 H new ATOM 0 HA THR A 66 42.020 50.252 29.158 1.00 0.00 H new ATOM 0 HB THR A 66 42.139 49.815 32.120 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.843 52.158 32.187 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.024 51.463 32.006 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.353 50.011 31.030 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.842 51.520 30.237 1.00 0.00 H new ATOM 1060 N LEU A 67 43.385 48.146 28.999 1.00 0.00 N ATOM 1061 CA LEU A 67 44.160 46.938 28.796 1.00 0.00 C ATOM 1062 C LEU A 67 45.619 47.241 28.450 1.00 0.00 C ATOM 1063 O LEU A 67 45.942 48.346 28.022 1.00 0.00 O ATOM 1064 CB LEU A 67 43.429 46.041 27.801 1.00 0.00 C ATOM 1065 CG LEU A 67 43.361 46.535 26.359 1.00 0.00 C ATOM 1066 CD1 LEU A 67 44.479 45.940 25.507 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.034 46.113 25.736 1.00 0.00 C ATOM 0 H LEU A 67 43.576 48.862 28.298 1.00 0.00 H new ATOM 0 HA LEU A 67 44.236 46.378 29.728 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.912 45.064 27.804 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.410 45.894 28.159 1.00 0.00 H new ATOM 0 HG LEU A 67 43.463 47.620 26.383 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.398 46.315 24.487 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.445 46.226 25.923 1.00 0.00 H new ATOM 0 HD13 LEU A 67 44.394 44.853 25.502 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.987 46.467 24.706 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.955 45.026 25.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.211 46.545 26.306 1.00 0.00 H new ATOM 1079 N HIS A 68 46.523 46.291 28.677 1.00 0.00 N ATOM 1080 CA HIS A 68 47.949 46.533 28.756 1.00 0.00 C ATOM 1081 C HIS A 68 48.732 45.867 27.623 1.00 0.00 C ATOM 1082 O HIS A 68 48.428 44.739 27.239 1.00 0.00 O ATOM 1083 CB HIS A 68 48.451 46.095 30.129 1.00 0.00 C ATOM 1084 CG HIS A 68 47.797 46.843 31.258 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.263 48.023 31.836 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.609 46.500 31.853 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.373 48.351 32.774 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.364 47.464 32.810 1.00 0.00 N ATOM 0 H HIS A 68 46.272 45.312 28.813 1.00 0.00 H new ATOM 0 HA HIS A 68 48.122 47.602 28.630 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.268 45.028 30.253 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.530 46.242 30.180 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.990 45.647 31.619 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.453 49.214 33.418 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.559 47.497 33.435 1.00 0.00 H new ATOM 1096 N LEU A 69 49.746 46.558 27.110 1.00 0.00 N ATOM 1097 CA LEU A 69 50.578 46.141 25.999 1.00 0.00 C ATOM 1098 C LEU A 69 51.970 45.713 26.464 1.00 0.00 C ATOM 1099 O LEU A 69 52.778 46.548 26.867 1.00 0.00 O ATOM 1100 CB LEU A 69 50.611 47.278 24.982 1.00 0.00 C ATOM 1101 CG LEU A 69 51.636 47.155 23.858 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.467 45.902 23.003 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.530 48.369 22.941 1.00 0.00 C ATOM 0 H LEU A 69 50.018 47.468 27.480 1.00 0.00 H new ATOM 0 HA LEU A 69 50.157 45.255 25.523 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.621 47.364 24.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.801 48.209 25.517 1.00 0.00 H new ATOM 0 HG LEU A 69 52.610 47.091 24.344 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.232 45.886 22.226 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.569 45.017 23.631 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.480 45.907 22.541 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.261 48.283 22.137 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.528 48.417 22.516 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.725 49.276 23.514 1.00 0.00 H new ATOM 1115 N VAL A 70 52.266 44.423 26.336 1.00 0.00 N ATOM 1116 CA VAL A 70 53.531 43.798 26.666 1.00 0.00 C ATOM 1117 C VAL A 70 54.221 43.322 25.385 1.00 0.00 C ATOM 1118 O VAL A 70 53.552 42.921 24.435 1.00 0.00 O ATOM 1119 CB VAL A 70 53.323 42.657 27.657 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.641 42.055 28.136 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.551 43.104 28.896 1.00 0.00 C ATOM 0 H VAL A 70 51.586 43.752 25.978 1.00 0.00 H new ATOM 0 HA VAL A 70 54.181 44.528 27.149 1.00 0.00 H new ATOM 0 HB VAL A 70 52.751 41.910 27.107 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.438 41.247 28.839 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.193 41.662 27.282 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.235 42.825 28.629 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.427 42.258 29.572 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.103 43.896 29.402 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.571 43.477 28.599 1.00 0.00 H new