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 -70:sc= 1.21 USER MOD Set 1.2: A 57 SER OG : rot -79:sc= 1.02 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.94 K(o=3.3,f=2.4) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 179:sc= 2.38 (180deg=2.37) USER MOD Set 3.1: A 2 GLN : amide:sc= 0.614 K(o=2.2,f=0.87) USER MOD Set 3.2: A 14 THR OG1 : rot 40:sc= 1.61 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 174:sc= 0.7 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 140:sc= 0.606 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.35) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.03 (180deg=1.02) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= 0.0022 (180deg=-0.28) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.576) USER MOD Single : A 31 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0972 X(o=-0.097,f=-0.47) USER MOD Single : A 41 GLN : amide:sc= 1.25 K(o=1.2,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 59 TYR OH : rot 10:sc= 1.67 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= 1.31 (180deg=1.21) USER MOD Single : A 65 SER OG : rot 114:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.611 51.536 20.017 1.00 0.00 N ATOM 2 CA MET A 1 33.050 51.984 21.347 1.00 0.00 C ATOM 3 C MET A 1 34.521 52.407 21.347 1.00 0.00 C ATOM 4 O MET A 1 35.320 51.859 20.591 1.00 0.00 O ATOM 5 CB MET A 1 32.757 50.945 22.426 1.00 0.00 C ATOM 6 CG MET A 1 33.511 49.627 22.277 1.00 0.00 C ATOM 7 SD MET A 1 33.179 48.473 23.631 1.00 0.00 S ATOM 8 CE MET A 1 33.915 46.969 22.943 1.00 0.00 C ATOM 0 H1 MET A 1 31.630 51.194 20.072 1.00 0.00 H new ATOM 0 H2 MET A 1 32.664 52.331 19.348 1.00 0.00 H new ATOM 0 H3 MET A 1 33.228 50.766 19.689 1.00 0.00 H new ATOM 0 HA MET A 1 32.463 52.869 21.593 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.998 51.376 23.398 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.687 50.736 22.426 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.234 49.160 21.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.581 49.829 22.232 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.534 46.100 23.478 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.656 46.887 21.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.999 47.013 23.048 1.00 0.00 H new ATOM 20 N GLN A 2 34.880 53.328 22.237 1.00 0.00 N ATOM 21 CA GLN A 2 36.240 53.731 22.532 1.00 0.00 C ATOM 22 C GLN A 2 36.840 52.814 23.600 1.00 0.00 C ATOM 23 O GLN A 2 36.160 52.467 24.563 1.00 0.00 O ATOM 24 CB GLN A 2 36.222 55.184 22.996 1.00 0.00 C ATOM 25 CG GLN A 2 37.613 55.785 23.177 1.00 0.00 C ATOM 26 CD GLN A 2 37.621 57.241 23.645 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.624 57.822 24.067 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.772 57.908 23.603 1.00 0.00 N ATOM 0 H GLN A 2 34.193 53.834 22.796 1.00 0.00 H new ATOM 0 HA GLN A 2 36.863 53.647 21.641 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.669 55.781 22.271 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.682 55.248 23.941 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.164 55.182 23.899 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.149 55.718 22.230 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.615 57.449 23.257 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.811 58.878 23.917 1.00 0.00 H new ATOM 37 N ILE A 3 38.122 52.479 23.486 1.00 0.00 N ATOM 38 CA ILE A 3 38.917 51.882 24.541 1.00 0.00 C ATOM 39 C ILE A 3 40.267 52.587 24.690 1.00 0.00 C ATOM 40 O ILE A 3 40.649 53.409 23.860 1.00 0.00 O ATOM 41 CB ILE A 3 39.083 50.377 24.351 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.791 50.042 23.041 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.750 49.650 24.493 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.323 48.613 22.974 1.00 0.00 C ATOM 0 H ILE A 3 38.649 52.623 22.625 1.00 0.00 H new ATOM 0 HA ILE A 3 38.370 52.022 25.473 1.00 0.00 H new ATOM 0 HB ILE A 3 39.730 50.015 25.150 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.099 50.201 22.214 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.620 50.735 22.900 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.902 48.580 24.352 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.341 49.831 25.487 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.052 50.019 23.741 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.812 48.452 22.014 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.041 48.454 23.778 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.496 47.911 23.082 1.00 0.00 H new ATOM 56 N PHE A 4 41.017 52.223 25.726 1.00 0.00 N ATOM 57 CA PHE A 4 42.373 52.674 25.969 1.00 0.00 C ATOM 58 C PHE A 4 43.331 51.493 26.138 1.00 0.00 C ATOM 59 O PHE A 4 42.930 50.436 26.620 1.00 0.00 O ATOM 60 CB PHE A 4 42.409 53.575 27.200 1.00 0.00 C ATOM 61 CG PHE A 4 41.485 54.766 27.114 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.213 54.705 27.694 1.00 0.00 C ATOM 63 CD2 PHE A 4 41.900 55.925 26.447 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.347 55.801 27.596 1.00 0.00 C ATOM 65 CE2 PHE A 4 41.036 57.023 26.355 1.00 0.00 C ATOM 66 CZ PHE A 4 39.759 56.958 26.924 1.00 0.00 C ATOM 0 H PHE A 4 40.679 51.581 26.443 1.00 0.00 H new ATOM 0 HA PHE A 4 42.704 53.244 25.101 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.145 52.985 28.078 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.429 53.929 27.349 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.899 53.813 28.217 1.00 0.00 H new ATOM 0 HD2 PHE A 4 42.884 55.972 26.005 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.363 55.754 28.038 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.355 57.920 25.845 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.090 57.802 26.845 1.00 0.00 H new ATOM 76 N VAL A 5 44.602 51.675 25.791 1.00 0.00 N ATOM 77 CA VAL A 5 45.649 50.715 26.077 1.00 0.00 C ATOM 78 C VAL A 5 46.931 51.389 26.568 1.00 0.00 C ATOM 79 O VAL A 5 47.333 52.423 26.038 1.00 0.00 O ATOM 80 CB VAL A 5 45.856 49.736 24.924 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.346 50.388 23.633 1.00 0.00 C ATOM 82 CG2 VAL A 5 46.813 48.603 25.283 1.00 0.00 C ATOM 0 H VAL A 5 44.932 52.505 25.298 1.00 0.00 H new ATOM 0 HA VAL A 5 45.316 50.102 26.915 1.00 0.00 H new ATOM 0 HB VAL A 5 44.858 49.336 24.746 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.468 49.625 22.864 1.00 0.00 H new ATOM 0 HG12 VAL A 5 45.617 51.127 23.299 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.303 50.878 23.813 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.924 47.936 24.428 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.785 49.018 25.548 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.414 48.044 26.129 1.00 0.00 H new ATOM 92 N LYS A 6 47.537 50.812 27.601 1.00 0.00 N ATOM 93 CA LYS A 6 48.721 51.299 28.281 1.00 0.00 C ATOM 94 C LYS A 6 49.962 50.452 27.993 1.00 0.00 C ATOM 95 O LYS A 6 49.929 49.233 28.148 1.00 0.00 O ATOM 96 CB LYS A 6 48.470 51.372 29.784 1.00 0.00 C ATOM 97 CG LYS A 6 47.419 52.422 30.131 1.00 0.00 C ATOM 98 CD LYS A 6 47.231 52.539 31.641 1.00 0.00 C ATOM 99 CE LYS A 6 46.176 53.587 31.980 1.00 0.00 C ATOM 100 NZ LYS A 6 46.660 54.968 31.830 1.00 0.00 N ATOM 0 H LYS A 6 47.191 49.942 28.005 1.00 0.00 H new ATOM 0 HA LYS A 6 48.923 52.297 27.892 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.144 50.397 30.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.402 51.607 30.298 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.718 53.388 29.724 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.470 52.159 29.663 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.934 51.573 32.050 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.178 52.806 32.110 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.309 53.441 31.336 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.840 53.436 33.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.871 55.630 31.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.403 55.154 32.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.049 55.098 30.874 1.00 0.00 H new ATOM 168 N LYS A 11 52.739 54.859 28.737 1.00 0.00 N ATOM 169 CA LYS A 11 52.143 55.696 27.714 1.00 0.00 C ATOM 170 C LYS A 11 50.750 55.171 27.363 1.00 0.00 C ATOM 171 O LYS A 11 50.583 53.959 27.253 1.00 0.00 O ATOM 172 CB LYS A 11 53.106 55.744 26.531 1.00 0.00 C ATOM 173 CG LYS A 11 52.760 56.790 25.474 1.00 0.00 C ATOM 174 CD LYS A 11 53.865 56.893 24.427 1.00 0.00 C ATOM 175 CE LYS A 11 53.684 58.055 23.454 1.00 0.00 C ATOM 176 NZ LYS A 11 52.541 57.873 22.546 1.00 0.00 N ATOM 0 HA LYS A 11 51.992 56.719 28.058 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.111 55.942 26.905 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.130 54.762 26.058 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.819 56.527 24.991 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.613 57.759 25.950 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.824 57.001 24.934 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.906 55.961 23.863 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.548 58.977 24.019 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.593 58.173 22.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.804 58.186 21.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.275 56.868 22.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.735 58.436 22.885 1.00 0.00 H new ATOM 190 N THR A 12 49.758 56.039 27.185 1.00 0.00 N ATOM 191 CA THR A 12 48.385 55.657 26.927 1.00 0.00 C ATOM 192 C THR A 12 47.926 56.113 25.540 1.00 0.00 C ATOM 193 O THR A 12 48.054 57.289 25.204 1.00 0.00 O ATOM 194 CB THR A 12 47.421 56.188 27.985 1.00 0.00 C ATOM 195 OG1 THR A 12 47.850 55.876 29.292 1.00 0.00 O ATOM 196 CG2 THR A 12 46.039 55.555 27.854 1.00 0.00 C ATOM 0 H THR A 12 49.896 57.049 27.218 1.00 0.00 H new ATOM 0 HA THR A 12 48.365 54.568 26.969 1.00 0.00 H new ATOM 0 HB THR A 12 47.388 57.265 27.823 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.687 56.642 29.881 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.380 55.957 28.624 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.627 55.780 26.870 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.121 54.475 27.975 1.00 0.00 H new ATOM 204 N ILE A 13 47.344 55.208 24.759 1.00 0.00 N ATOM 205 CA ILE A 13 46.712 55.498 23.487 1.00 0.00 C ATOM 206 C ILE A 13 45.245 55.062 23.493 1.00 0.00 C ATOM 207 O ILE A 13 44.852 54.234 24.312 1.00 0.00 O ATOM 208 CB ILE A 13 47.487 54.904 22.314 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.542 53.380 22.371 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.869 55.542 22.218 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.187 52.714 21.160 1.00 0.00 C ATOM 0 H ILE A 13 47.301 54.220 25.008 1.00 0.00 H new ATOM 0 HA ILE A 13 46.730 56.579 23.348 1.00 0.00 H new ATOM 0 HB ILE A 13 46.950 55.140 21.395 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.091 53.084 23.265 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.527 52.998 22.479 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.412 55.110 21.377 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.764 56.617 22.068 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.420 55.356 23.140 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.180 51.632 21.293 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.627 52.973 20.261 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.216 53.060 21.059 1.00 0.00 H new ATOM 223 N THR A 14 44.443 55.591 22.574 1.00 0.00 N ATOM 224 CA THR A 14 43.050 55.229 22.410 1.00 0.00 C ATOM 225 C THR A 14 42.758 54.577 21.055 1.00 0.00 C ATOM 226 O THR A 14 43.313 54.974 20.033 1.00 0.00 O ATOM 227 CB THR A 14 42.117 56.399 22.709 1.00 0.00 C ATOM 228 OG1 THR A 14 40.777 55.960 22.687 1.00 0.00 O ATOM 229 CG2 THR A 14 42.228 57.574 21.742 1.00 0.00 C ATOM 0 H THR A 14 44.756 56.299 21.910 1.00 0.00 H new ATOM 0 HA THR A 14 42.843 54.462 23.157 1.00 0.00 H new ATOM 0 HB THR A 14 42.426 56.757 23.691 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.715 55.076 23.106 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.527 58.355 22.036 1.00 0.00 H new ATOM 0 HG22 THR A 14 43.243 57.970 21.766 1.00 0.00 H new ATOM 0 HG23 THR A 14 41.993 57.238 20.732 1.00 0.00 H new ATOM 237 N LEU A 15 41.889 53.572 21.063 1.00 0.00 N ATOM 238 CA LEU A 15 41.501 52.773 19.917 1.00 0.00 C ATOM 239 C LEU A 15 39.979 52.733 19.771 1.00 0.00 C ATOM 240 O LEU A 15 39.267 52.733 20.773 1.00 0.00 O ATOM 241 CB LEU A 15 42.059 51.359 20.038 1.00 0.00 C ATOM 242 CG LEU A 15 43.551 51.240 20.335 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.892 49.778 20.609 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.446 51.714 19.193 1.00 0.00 C ATOM 0 H LEU A 15 41.414 53.281 21.917 1.00 0.00 H new ATOM 0 HA LEU A 15 41.918 53.237 19.023 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.512 50.842 20.826 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.853 50.830 19.108 1.00 0.00 H new ATOM 0 HG LEU A 15 43.740 51.882 21.195 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.957 49.687 20.822 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.319 49.425 21.466 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.644 49.176 19.735 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.492 51.599 19.478 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.245 51.119 18.302 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.241 52.764 18.982 1.00 0.00 H new ATOM 256 N GLU A 16 39.495 52.623 18.537 1.00 0.00 N ATOM 257 CA GLU A 16 38.097 52.400 18.228 1.00 0.00 C ATOM 258 C GLU A 16 37.845 50.918 17.947 1.00 0.00 C ATOM 259 O GLU A 16 38.567 50.317 17.155 1.00 0.00 O ATOM 260 CB GLU A 16 37.681 53.247 17.029 1.00 0.00 C ATOM 261 CG GLU A 16 37.732 54.751 17.285 1.00 0.00 C ATOM 262 CD GLU A 16 36.776 55.150 18.411 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.249 55.654 19.454 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.551 54.971 18.237 1.00 0.00 O ATOM 0 H GLU A 16 40.084 52.689 17.707 1.00 0.00 H new ATOM 0 HA GLU A 16 37.497 52.696 19.089 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.331 53.010 16.186 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.667 52.972 16.737 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.749 55.044 17.546 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.469 55.287 16.373 1.00 0.00 H new ATOM 271 N VAL A 17 36.843 50.320 18.584 1.00 0.00 N ATOM 272 CA VAL A 17 36.553 48.902 18.514 1.00 0.00 C ATOM 273 C VAL A 17 35.059 48.579 18.583 1.00 0.00 C ATOM 274 O VAL A 17 34.239 49.398 18.991 1.00 0.00 O ATOM 275 CB VAL A 17 37.303 48.123 19.591 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.822 48.233 19.500 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.873 48.513 21.002 1.00 0.00 C ATOM 0 H VAL A 17 36.193 50.831 19.181 1.00 0.00 H new ATOM 0 HA VAL A 17 36.903 48.586 17.531 1.00 0.00 H new ATOM 0 HB VAL A 17 37.028 47.087 19.394 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.278 47.651 20.301 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.158 47.849 18.536 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.118 49.278 19.597 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.437 47.929 21.729 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.066 49.574 21.161 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.808 48.315 21.126 1.00 0.00 H new ATOM 287 N GLU A 18 34.717 47.343 18.229 1.00 0.00 N ATOM 288 CA GLU A 18 33.389 46.765 18.247 1.00 0.00 C ATOM 289 C GLU A 18 33.324 45.524 19.139 1.00 0.00 C ATOM 290 O GLU A 18 34.349 44.874 19.331 1.00 0.00 O ATOM 291 CB GLU A 18 32.994 46.375 16.826 1.00 0.00 C ATOM 292 CG GLU A 18 32.810 47.540 15.857 1.00 0.00 C ATOM 293 CD GLU A 18 31.556 48.352 16.194 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.653 49.280 17.025 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.482 48.050 15.631 1.00 0.00 O ATOM 0 H GLU A 18 35.416 46.677 17.899 1.00 0.00 H new ATOM 0 HA GLU A 18 32.703 47.510 18.649 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.756 45.707 16.425 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.064 45.808 16.868 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.686 48.188 15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.737 47.160 14.838 1.00 0.00 H new ATOM 302 N PRO A 19 32.158 45.106 19.621 1.00 0.00 N ATOM 303 CA PRO A 19 32.000 43.863 20.348 1.00 0.00 C ATOM 304 C PRO A 19 32.458 42.623 19.576 1.00 0.00 C ATOM 305 O PRO A 19 32.938 41.666 20.180 1.00 0.00 O ATOM 306 CB PRO A 19 30.515 43.757 20.685 1.00 0.00 C ATOM 307 CG PRO A 19 29.831 44.684 19.686 1.00 0.00 C ATOM 308 CD PRO A 19 30.879 45.779 19.509 1.00 0.00 C ATOM 0 HA PRO A 19 32.636 43.887 21.233 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.157 42.732 20.585 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.318 44.065 21.712 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.605 44.178 18.747 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.890 45.077 20.071 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.776 46.269 18.541 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.773 46.552 20.271 1.00 0.00 H new ATOM 316 N SER A 20 32.332 42.642 18.252 1.00 0.00 N ATOM 317 CA SER A 20 32.772 41.589 17.359 1.00 0.00 C ATOM 318 C SER A 20 34.225 41.713 16.896 1.00 0.00 C ATOM 319 O SER A 20 34.660 40.908 16.076 1.00 0.00 O ATOM 320 CB SER A 20 31.872 41.517 16.128 1.00 0.00 C ATOM 321 OG SER A 20 30.505 41.405 16.454 1.00 0.00 O ATOM 0 H SER A 20 31.903 43.425 17.758 1.00 0.00 H new ATOM 0 HA SER A 20 32.704 40.676 17.951 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.024 42.409 15.521 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.166 40.663 15.518 1.00 0.00 H new ATOM 0 HG SER A 20 29.975 41.364 15.631 1.00 0.00 H new ATOM 327 N ASP A 21 34.975 42.716 17.341 1.00 0.00 N ATOM 328 CA ASP A 21 36.319 42.974 16.863 1.00 0.00 C ATOM 329 C ASP A 21 37.332 41.950 17.380 1.00 0.00 C ATOM 330 O ASP A 21 37.119 41.326 18.417 1.00 0.00 O ATOM 331 CB ASP A 21 36.721 44.410 17.184 1.00 0.00 C ATOM 332 CG ASP A 21 37.823 44.981 16.289 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.261 44.308 15.331 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.161 46.170 16.470 1.00 0.00 O ATOM 0 H ASP A 21 34.659 43.377 18.051 1.00 0.00 H new ATOM 0 HA ASP A 21 36.321 42.858 15.779 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.840 45.046 17.103 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.053 44.457 18.221 1.00 0.00 H new ATOM 339 N THR A 22 38.435 41.772 16.659 1.00 0.00 N ATOM 340 CA THR A 22 39.396 40.705 16.857 1.00 0.00 C ATOM 341 C THR A 22 40.798 41.209 17.203 1.00 0.00 C ATOM 342 O THR A 22 41.191 42.316 16.839 1.00 0.00 O ATOM 343 CB THR A 22 39.453 39.775 15.648 1.00 0.00 C ATOM 344 OG1 THR A 22 39.751 40.463 14.454 1.00 0.00 O ATOM 345 CG2 THR A 22 38.157 39.000 15.429 1.00 0.00 C ATOM 0 H THR A 22 38.689 42.395 15.892 1.00 0.00 H new ATOM 0 HA THR A 22 39.038 40.144 17.720 1.00 0.00 H new ATOM 0 HB THR A 22 40.255 39.075 15.883 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.779 39.828 13.708 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.261 38.357 14.555 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.946 38.389 16.306 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.337 39.700 15.269 1.00 0.00 H new ATOM 353 N ILE A 23 41.575 40.390 17.906 1.00 0.00 N ATOM 354 CA ILE A 23 42.823 40.789 18.525 1.00 0.00 C ATOM 355 C ILE A 23 43.873 41.206 17.493 1.00 0.00 C ATOM 356 O ILE A 23 44.554 42.209 17.691 1.00 0.00 O ATOM 357 CB ILE A 23 43.316 39.684 19.458 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.304 39.252 20.515 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.625 40.070 20.141 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.708 40.373 21.363 1.00 0.00 C ATOM 0 H ILE A 23 41.344 39.409 18.061 1.00 0.00 H new ATOM 0 HA ILE A 23 42.642 41.679 19.127 1.00 0.00 H new ATOM 0 HB ILE A 23 43.474 38.827 18.803 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.489 38.726 20.017 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.786 38.536 21.181 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.946 39.261 20.797 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.390 40.250 19.386 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.475 40.976 20.729 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.003 39.952 22.080 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.506 40.888 21.899 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.189 41.081 20.717 1.00 0.00 H new ATOM 372 N GLU A 24 43.975 40.525 16.354 1.00 0.00 N ATOM 373 CA GLU A 24 44.923 40.866 15.312 1.00 0.00 C ATOM 374 C GLU A 24 44.606 42.197 14.628 1.00 0.00 C ATOM 375 O GLU A 24 45.521 42.947 14.294 1.00 0.00 O ATOM 376 CB GLU A 24 44.997 39.699 14.332 1.00 0.00 C ATOM 377 CG GLU A 24 46.180 39.772 13.370 1.00 0.00 C ATOM 378 CD GLU A 24 46.447 38.419 12.707 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.507 37.402 13.430 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.630 38.359 11.471 1.00 0.00 O ATOM 0 H GLU A 24 43.395 39.716 16.133 1.00 0.00 H new ATOM 0 HA GLU A 24 45.904 41.023 15.759 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.057 38.768 14.895 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.073 39.664 13.754 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.982 40.521 12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 24 47.070 40.096 13.910 1.00 0.00 H new ATOM 387 N ASN A 25 43.328 42.547 14.503 1.00 0.00 N ATOM 388 CA ASN A 25 42.902 43.847 14.025 1.00 0.00 C ATOM 389 C ASN A 25 43.178 44.954 15.045 1.00 0.00 C ATOM 390 O ASN A 25 43.598 46.047 14.669 1.00 0.00 O ATOM 391 CB ASN A 25 41.431 43.770 13.629 1.00 0.00 C ATOM 392 CG ASN A 25 40.952 45.073 12.986 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.527 45.576 12.022 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.887 45.666 13.515 1.00 0.00 N ATOM 0 H ASN A 25 42.555 41.924 14.735 1.00 0.00 H new ATOM 0 HA ASN A 25 43.487 44.115 13.145 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.284 42.944 12.933 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.827 43.555 14.511 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.543 46.542 13.122 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.413 45.245 14.314 1.00 0.00 H new ATOM 401 N VAL A 26 43.026 44.683 16.337 1.00 0.00 N ATOM 402 CA VAL A 26 43.427 45.594 17.391 1.00 0.00 C ATOM 403 C VAL A 26 44.940 45.816 17.376 1.00 0.00 C ATOM 404 O VAL A 26 45.381 46.964 17.401 1.00 0.00 O ATOM 405 CB VAL A 26 42.903 45.139 18.750 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.426 45.999 19.897 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.379 45.218 18.796 1.00 0.00 C ATOM 0 H VAL A 26 42.616 43.814 16.680 1.00 0.00 H new ATOM 0 HA VAL A 26 42.968 46.564 17.200 1.00 0.00 H new ATOM 0 HB VAL A 26 43.253 44.114 18.872 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.022 45.632 20.841 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.514 45.947 19.923 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.115 47.033 19.747 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.027 44.889 19.774 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.063 46.247 18.624 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.958 44.575 18.023 1.00 0.00 H new ATOM 417 N LYS A 27 45.744 44.768 17.225 1.00 0.00 N ATOM 418 CA LYS A 27 47.185 44.862 17.102 1.00 0.00 C ATOM 419 C LYS A 27 47.621 45.670 15.878 1.00 0.00 C ATOM 420 O LYS A 27 48.529 46.492 15.981 1.00 0.00 O ATOM 421 CB LYS A 27 47.808 43.468 17.083 1.00 0.00 C ATOM 422 CG LYS A 27 47.751 42.736 18.421 1.00 0.00 C ATOM 423 CD LYS A 27 48.116 41.263 18.253 1.00 0.00 C ATOM 424 CE LYS A 27 48.183 40.550 19.602 1.00 0.00 C ATOM 425 NZ LYS A 27 48.289 39.095 19.419 1.00 0.00 N ATOM 0 H LYS A 27 45.398 43.809 17.184 1.00 0.00 H new ATOM 0 HA LYS A 27 47.547 45.403 17.976 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.299 42.866 16.331 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.849 43.552 16.772 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.436 43.206 19.127 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.750 42.821 18.844 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.378 40.774 17.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.078 41.180 17.747 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.041 40.913 20.168 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.293 40.784 20.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.014 38.613 20.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.658 38.795 18.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.270 38.846 19.180 1.00 0.00 H new ATOM 439 N ALA A 28 46.947 45.513 14.742 1.00 0.00 N ATOM 440 CA ALA A 28 47.185 46.318 13.561 1.00 0.00 C ATOM 441 C ALA A 28 46.896 47.802 13.792 1.00 0.00 C ATOM 442 O ALA A 28 47.700 48.649 13.408 1.00 0.00 O ATOM 443 CB ALA A 28 46.365 45.754 12.404 1.00 0.00 C ATOM 0 H ALA A 28 46.214 44.814 14.620 1.00 0.00 H new ATOM 0 HA ALA A 28 48.245 46.264 13.313 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.537 46.353 11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.665 44.724 12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.306 45.782 12.661 1.00 0.00 H new ATOM 449 N LYS A 29 45.813 48.135 14.489 1.00 0.00 N ATOM 450 CA LYS A 29 45.473 49.491 14.866 1.00 0.00 C ATOM 451 C LYS A 29 46.436 50.107 15.881 1.00 0.00 C ATOM 452 O LYS A 29 46.618 51.323 15.878 1.00 0.00 O ATOM 453 CB LYS A 29 44.027 49.536 15.354 1.00 0.00 C ATOM 454 CG LYS A 29 43.042 49.401 14.197 1.00 0.00 C ATOM 455 CD LYS A 29 41.577 49.466 14.624 1.00 0.00 C ATOM 456 CE LYS A 29 41.106 48.209 15.350 1.00 0.00 C ATOM 457 NZ LYS A 29 39.648 48.238 15.543 1.00 0.00 N ATOM 0 H LYS A 29 45.134 47.446 14.813 1.00 0.00 H new ATOM 0 HA LYS A 29 45.574 50.112 13.976 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.859 48.733 16.072 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.848 50.475 15.878 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.235 50.193 13.473 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.221 48.454 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.433 50.329 15.274 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.955 49.623 13.743 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.385 47.325 14.776 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.605 48.132 16.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.344 47.367 16.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.391 49.062 16.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.177 48.306 14.618 1.00 0.00 H new ATOM 471 N ILE A 30 47.110 49.300 16.696 1.00 0.00 N ATOM 472 CA ILE A 30 48.188 49.716 17.570 1.00 0.00 C ATOM 473 C ILE A 30 49.473 49.996 16.789 1.00 0.00 C ATOM 474 O ILE A 30 50.156 50.971 17.093 1.00 0.00 O ATOM 475 CB ILE A 30 48.392 48.701 18.691 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.197 48.725 19.641 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.677 48.942 19.475 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.120 47.533 20.589 1.00 0.00 C ATOM 0 H ILE A 30 46.908 48.302 16.764 1.00 0.00 H new ATOM 0 HA ILE A 30 47.906 50.660 18.036 1.00 0.00 H new ATOM 0 HB ILE A 30 48.478 47.721 18.222 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.236 49.641 20.231 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.281 48.764 19.052 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.771 48.191 20.259 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.532 48.873 18.802 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.648 49.935 19.925 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.242 47.632 21.227 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.047 46.612 20.010 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.017 47.502 21.208 1.00 0.00 H new ATOM 490 N GLN A 31 49.794 49.225 15.754 1.00 0.00 N ATOM 491 CA GLN A 31 50.920 49.507 14.885 1.00 0.00 C ATOM 492 C GLN A 31 50.740 50.834 14.143 1.00 0.00 C ATOM 493 O GLN A 31 51.695 51.595 13.999 1.00 0.00 O ATOM 494 CB GLN A 31 51.127 48.358 13.903 1.00 0.00 C ATOM 495 CG GLN A 31 52.444 48.470 13.140 1.00 0.00 C ATOM 496 CD GLN A 31 52.668 47.313 12.165 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.739 46.732 11.606 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.913 46.914 11.921 1.00 0.00 N ATOM 0 H GLN A 31 49.275 48.385 15.498 1.00 0.00 H new ATOM 0 HA GLN A 31 51.811 49.602 15.506 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.104 47.413 14.445 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.300 48.338 13.193 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.460 49.411 12.589 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.269 48.503 13.852 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.697 47.383 12.375 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.084 46.139 11.280 1.00 0.00 H new ATOM 507 N ASP A 32 49.518 51.150 13.724 1.00 0.00 N ATOM 508 CA ASP A 32 49.171 52.414 13.107 1.00 0.00 C ATOM 509 C ASP A 32 49.302 53.617 14.045 1.00 0.00 C ATOM 510 O ASP A 32 49.535 54.726 13.570 1.00 0.00 O ATOM 511 CB ASP A 32 47.757 52.289 12.549 1.00 0.00 C ATOM 512 CG ASP A 32 47.335 53.503 11.717 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.987 53.789 10.690 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.333 54.157 12.080 1.00 0.00 O ATOM 0 H ASP A 32 48.726 50.513 13.809 1.00 0.00 H new ATOM 0 HA ASP A 32 49.885 52.614 12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.693 51.392 11.932 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.057 52.159 13.374 1.00 0.00 H new ATOM 519 N LYS A 33 49.190 53.424 15.356 1.00 0.00 N ATOM 520 CA LYS A 33 49.454 54.426 16.368 1.00 0.00 C ATOM 521 C LYS A 33 50.942 54.551 16.697 1.00 0.00 C ATOM 522 O LYS A 33 51.520 55.620 16.507 1.00 0.00 O ATOM 523 CB LYS A 33 48.616 54.162 17.616 1.00 0.00 C ATOM 524 CG LYS A 33 47.135 54.495 17.462 1.00 0.00 C ATOM 525 CD LYS A 33 46.838 55.972 17.703 1.00 0.00 C ATOM 526 CE LYS A 33 45.340 56.251 17.618 1.00 0.00 C ATOM 527 NZ LYS A 33 45.026 57.628 18.028 1.00 0.00 N ATOM 0 H LYS A 33 48.901 52.529 15.751 1.00 0.00 H new ATOM 0 HA LYS A 33 49.156 55.390 15.956 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.713 53.111 17.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.023 54.745 18.442 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.807 54.221 16.459 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.556 53.893 18.162 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.211 56.266 18.684 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.366 56.577 16.967 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.995 56.086 16.597 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.801 55.549 18.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.000 57.785 17.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.334 57.776 19.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.522 58.297 17.405 1.00 0.00 H new ATOM 541 N GLU A 34 51.556 53.490 17.216 1.00 0.00 N ATOM 542 CA GLU A 34 52.833 53.547 17.899 1.00 0.00 C ATOM 543 C GLU A 34 53.964 52.794 17.196 1.00 0.00 C ATOM 544 O GLU A 34 55.084 52.784 17.704 1.00 0.00 O ATOM 545 CB GLU A 34 52.666 53.052 19.332 1.00 0.00 C ATOM 546 CG GLU A 34 51.791 53.932 20.220 1.00 0.00 C ATOM 547 CD GLU A 34 52.403 55.308 20.486 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.351 55.419 21.294 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.945 56.320 19.912 1.00 0.00 O ATOM 0 H GLU A 34 51.165 52.549 17.169 1.00 0.00 H new ATOM 0 HA GLU A 34 53.140 54.593 17.888 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.239 52.049 19.307 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.652 52.968 19.789 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.816 54.059 19.749 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.622 53.426 21.170 1.00 0.00 H new ATOM 556 N GLY A 35 53.727 52.168 16.047 1.00 0.00 N ATOM 557 CA GLY A 35 54.767 51.531 15.264 1.00 0.00 C ATOM 558 C GLY A 35 55.312 50.214 15.823 1.00 0.00 C ATOM 559 O GLY A 35 56.363 49.757 15.381 1.00 0.00 O ATOM 0 H GLY A 35 52.797 52.091 15.634 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.379 51.345 14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.597 52.230 15.160 1.00 0.00 H new ATOM 563 N ILE A 36 54.611 49.590 16.766 1.00 0.00 N ATOM 564 CA ILE A 36 54.961 48.314 17.357 1.00 0.00 C ATOM 565 C ILE A 36 54.388 47.206 16.472 1.00 0.00 C ATOM 566 O ILE A 36 53.174 47.186 16.283 1.00 0.00 O ATOM 567 CB ILE A 36 54.427 48.212 18.782 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.834 49.380 19.676 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.893 46.905 19.419 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.933 49.551 20.896 1.00 0.00 C ATOM 0 H ILE A 36 53.750 49.980 17.150 1.00 0.00 H new ATOM 0 HA ILE A 36 56.045 48.214 17.416 1.00 0.00 H new ATOM 0 HB ILE A 36 53.340 48.240 18.701 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.861 49.232 20.010 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.819 50.299 19.090 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.508 46.839 20.437 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.522 46.063 18.835 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.982 46.879 19.441 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.279 50.399 21.488 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.909 49.730 20.570 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.967 48.647 21.503 1.00 0.00 H new ATOM 582 N PRO A 37 55.172 46.278 15.931 1.00 0.00 N ATOM 583 CA PRO A 37 54.661 45.269 15.025 1.00 0.00 C ATOM 584 C PRO A 37 53.813 44.217 15.743 1.00 0.00 C ATOM 585 O PRO A 37 54.199 43.790 16.829 1.00 0.00 O ATOM 586 CB PRO A 37 55.889 44.673 14.342 1.00 0.00 C ATOM 587 CG PRO A 37 56.977 44.837 15.400 1.00 0.00 C ATOM 588 CD PRO A 37 56.607 46.150 16.083 1.00 0.00 C ATOM 0 HA PRO A 37 53.979 45.701 14.293 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.737 43.627 14.077 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.137 45.202 13.422 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.982 44.005 16.104 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.970 44.882 14.952 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.890 46.138 17.136 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.126 46.991 15.623 1.00 0.00 H new ATOM 596 N PRO A 38 52.689 43.767 15.191 1.00 0.00 N ATOM 597 CA PRO A 38 51.769 42.847 15.827 1.00 0.00 C ATOM 598 C PRO A 38 52.363 41.590 16.464 1.00 0.00 C ATOM 599 O PRO A 38 51.907 41.183 17.531 1.00 0.00 O ATOM 600 CB PRO A 38 50.766 42.459 14.745 1.00 0.00 C ATOM 601 CG PRO A 38 50.646 43.751 13.941 1.00 0.00 C ATOM 602 CD PRO A 38 52.076 44.284 13.984 1.00 0.00 C ATOM 0 HA PRO A 38 51.340 43.364 16.685 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.126 41.631 14.134 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.809 42.152 15.167 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.309 43.567 12.921 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.937 44.447 14.390 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.632 43.965 13.103 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.081 45.374 13.986 1.00 0.00 H new ATOM 610 N ASP A 39 53.396 40.981 15.887 1.00 0.00 N ATOM 611 CA ASP A 39 53.995 39.772 16.415 1.00 0.00 C ATOM 612 C ASP A 39 54.800 39.994 17.697 1.00 0.00 C ATOM 613 O ASP A 39 55.008 39.062 18.469 1.00 0.00 O ATOM 614 CB ASP A 39 54.807 39.089 15.317 1.00 0.00 C ATOM 615 CG ASP A 39 56.068 39.856 14.914 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.934 40.981 14.385 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.177 39.305 15.082 1.00 0.00 O ATOM 0 H ASP A 39 53.840 41.320 15.034 1.00 0.00 H new ATOM 0 HA ASP A 39 53.189 39.106 16.722 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.092 38.093 15.655 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.175 38.959 14.438 1.00 0.00 H new ATOM 622 N GLN A 40 55.186 41.236 17.979 1.00 0.00 N ATOM 623 CA GLN A 40 55.835 41.643 19.207 1.00 0.00 C ATOM 624 C GLN A 40 54.854 42.106 20.287 1.00 0.00 C ATOM 625 O GLN A 40 55.270 42.321 21.424 1.00 0.00 O ATOM 626 CB GLN A 40 56.867 42.725 18.898 1.00 0.00 C ATOM 627 CG GLN A 40 57.977 42.235 17.973 1.00 0.00 C ATOM 628 CD GLN A 40 59.083 43.270 17.755 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.965 44.455 18.063 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.240 42.873 17.234 1.00 0.00 N ATOM 0 H GLN A 40 55.047 42.010 17.329 1.00 0.00 H new ATOM 0 HA GLN A 40 56.332 40.766 19.622 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.367 43.577 18.438 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.307 43.078 19.831 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.415 41.328 18.390 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.545 41.966 17.009 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.371 41.897 16.968 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.996 43.544 17.101 1.00 0.00 H new ATOM 639 N GLN A 41 53.573 42.261 19.967 1.00 0.00 N ATOM 640 CA GLN A 41 52.551 42.736 20.878 1.00 0.00 C ATOM 641 C GLN A 41 51.858 41.585 21.609 1.00 0.00 C ATOM 642 O GLN A 41 51.292 40.708 20.960 1.00 0.00 O ATOM 643 CB GLN A 41 51.481 43.521 20.126 1.00 0.00 C ATOM 644 CG GLN A 41 51.935 44.805 19.437 1.00 0.00 C ATOM 645 CD GLN A 41 50.753 45.504 18.762 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.636 45.518 19.273 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.917 46.103 17.587 1.00 0.00 N ATOM 0 H GLN A 41 53.212 42.051 19.036 1.00 0.00 H new ATOM 0 HA GLN A 41 53.057 43.373 21.603 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.044 42.866 19.372 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.687 43.773 20.828 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.391 45.474 20.167 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.700 44.575 18.695 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.834 46.107 17.140 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.126 46.559 17.132 1.00 0.00 H new ATOM 656 N ARG A 42 51.791 41.642 22.936 1.00 0.00 N ATOM 657 CA ARG A 42 50.903 40.836 23.750 1.00 0.00 C ATOM 658 C ARG A 42 49.938 41.727 24.534 1.00 0.00 C ATOM 659 O ARG A 42 50.371 42.594 25.288 1.00 0.00 O ATOM 660 CB ARG A 42 51.729 39.936 24.665 1.00 0.00 C ATOM 661 CG ARG A 42 50.834 39.040 25.516 1.00 0.00 C ATOM 662 CD ARG A 42 51.620 38.074 26.398 1.00 0.00 C ATOM 663 NE ARG A 42 52.254 37.016 25.612 1.00 0.00 N ATOM 664 CZ ARG A 42 53.158 36.136 26.065 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.609 36.130 27.327 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.661 35.201 25.247 1.00 0.00 N ATOM 0 H ARG A 42 52.374 42.272 23.486 1.00 0.00 H new ATOM 0 HA ARG A 42 50.295 40.197 23.110 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.399 39.320 24.065 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.355 40.549 25.313 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.199 39.663 26.146 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.173 38.470 24.862 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.382 38.624 26.950 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.952 37.629 27.135 1.00 0.00 H new ATOM 0 HE ARG A 42 51.984 36.941 24.631 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.263 36.818 27.995 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.298 35.437 27.619 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.356 35.157 24.275 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.349 34.534 25.597 1.00 0.00 H new ATOM 680 N LEU A 43 48.634 41.509 24.378 1.00 0.00 N ATOM 681 CA LEU A 43 47.599 42.261 25.059 1.00 0.00 C ATOM 682 C LEU A 43 47.102 41.505 26.294 1.00 0.00 C ATOM 683 O LEU A 43 46.834 40.308 26.233 1.00 0.00 O ATOM 684 CB LEU A 43 46.485 42.600 24.074 1.00 0.00 C ATOM 685 CG LEU A 43 46.880 43.639 23.030 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.877 43.657 21.878 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.927 45.046 23.621 1.00 0.00 C ATOM 0 H LEU A 43 48.266 40.787 23.759 1.00 0.00 H new ATOM 0 HA LEU A 43 48.005 43.203 25.427 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.173 41.688 23.565 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.621 42.967 24.629 1.00 0.00 H new ATOM 0 HG LEU A 43 47.871 43.357 22.674 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.178 44.405 21.145 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.849 42.676 21.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.887 43.903 22.262 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.212 45.757 22.846 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.944 45.310 24.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.658 45.077 24.429 1.00 0.00 H new ATOM 699 N ILE A 44 46.984 42.215 27.413 1.00 0.00 N ATOM 700 CA ILE A 44 46.600 41.712 28.716 1.00 0.00 C ATOM 701 C ILE A 44 45.370 42.469 29.222 1.00 0.00 C ATOM 702 O ILE A 44 45.309 43.694 29.133 1.00 0.00 O ATOM 703 CB ILE A 44 47.761 41.809 29.702 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.081 41.198 29.239 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.388 41.253 31.073 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.092 39.695 28.975 1.00 0.00 C ATOM 0 H ILE A 44 47.167 43.218 27.428 1.00 0.00 H new ATOM 0 HA ILE A 44 46.341 40.657 28.626 1.00 0.00 H new ATOM 0 HB ILE A 44 47.943 42.882 29.768 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.387 41.705 28.324 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.838 41.415 29.992 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.241 41.340 31.746 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.548 41.817 31.478 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.108 40.204 30.976 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.087 39.389 28.653 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.827 39.163 29.889 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.369 39.457 28.195 1.00 0.00 H new ATOM 718 N PHE A 45 44.399 41.745 29.772 1.00 0.00 N ATOM 719 CA PHE A 45 43.211 42.279 30.405 1.00 0.00 C ATOM 720 C PHE A 45 42.671 41.316 31.463 1.00 0.00 C ATOM 721 O PHE A 45 42.755 40.102 31.285 1.00 0.00 O ATOM 722 CB PHE A 45 42.149 42.539 29.339 1.00 0.00 C ATOM 723 CG PHE A 45 40.857 43.139 29.838 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.848 44.413 30.419 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.651 42.446 29.676 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.638 45.001 30.807 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.441 43.028 30.070 1.00 0.00 C ATOM 728 CZ PHE A 45 38.432 44.312 30.628 1.00 0.00 C ATOM 0 H PHE A 45 44.426 40.725 29.786 1.00 0.00 H new ATOM 0 HA PHE A 45 43.468 43.213 30.905 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.571 43.205 28.586 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.922 41.597 28.840 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.777 44.943 30.568 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.655 41.456 29.244 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.635 45.988 31.245 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.515 42.487 29.944 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.498 44.770 30.919 1.00 0.00 H new ATOM 738 N ALA A 46 42.120 41.832 32.558 1.00 0.00 N ATOM 739 CA ALA A 46 41.507 41.075 33.631 1.00 0.00 C ATOM 740 C ALA A 46 42.363 39.907 34.126 1.00 0.00 C ATOM 741 O ALA A 46 41.870 38.809 34.376 1.00 0.00 O ATOM 742 CB ALA A 46 40.082 40.707 33.232 1.00 0.00 C ATOM 0 H ALA A 46 42.090 42.838 32.723 1.00 0.00 H new ATOM 0 HA ALA A 46 41.444 41.705 34.518 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.615 40.137 34.035 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.509 41.616 33.051 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.103 40.104 32.324 1.00 0.00 H new ATOM 748 N GLY A 47 43.671 40.123 34.232 1.00 0.00 N ATOM 749 CA GLY A 47 44.640 39.151 34.698 1.00 0.00 C ATOM 750 C GLY A 47 45.074 38.071 33.704 1.00 0.00 C ATOM 751 O GLY A 47 45.829 37.189 34.108 1.00 0.00 O ATOM 0 H GLY A 47 44.096 41.017 33.985 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.530 39.689 35.023 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.228 38.656 35.577 1.00 0.00 H new ATOM 755 N LYS A 48 44.631 38.100 32.450 1.00 0.00 N ATOM 756 CA LYS A 48 44.940 37.115 31.434 1.00 0.00 C ATOM 757 C LYS A 48 45.357 37.717 30.090 1.00 0.00 C ATOM 758 O LYS A 48 45.103 38.886 29.806 1.00 0.00 O ATOM 759 CB LYS A 48 43.776 36.138 31.280 1.00 0.00 C ATOM 760 CG LYS A 48 42.485 36.754 30.753 1.00 0.00 C ATOM 761 CD LYS A 48 41.364 35.734 30.579 1.00 0.00 C ATOM 762 CE LYS A 48 41.678 34.708 29.493 1.00 0.00 C ATOM 763 NZ LYS A 48 40.580 33.742 29.338 1.00 0.00 N ATOM 0 H LYS A 48 44.023 38.843 32.107 1.00 0.00 H new ATOM 0 HA LYS A 48 45.819 36.572 31.781 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.080 35.337 30.607 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.574 35.681 32.249 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.155 37.534 31.439 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.683 37.235 29.795 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.195 35.219 31.524 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.439 36.253 30.329 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.852 35.219 28.546 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.598 34.179 29.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.822 33.058 28.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.431 33.239 30.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.709 34.246 29.075 1.00 0.00 H new ATOM 777 N GLN A 49 45.986 36.906 29.242 1.00 0.00 N ATOM 778 CA GLN A 49 46.304 37.246 27.871 1.00 0.00 C ATOM 779 C GLN A 49 45.045 37.215 27.002 1.00 0.00 C ATOM 780 O GLN A 49 44.300 36.238 27.016 1.00 0.00 O ATOM 781 CB GLN A 49 47.384 36.301 27.352 1.00 0.00 C ATOM 782 CG GLN A 49 47.902 36.659 25.963 1.00 0.00 C ATOM 783 CD GLN A 49 49.005 35.726 25.459 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.585 34.922 26.184 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.361 35.800 24.181 1.00 0.00 N ATOM 0 H GLN A 49 46.294 35.970 29.504 1.00 0.00 H new ATOM 0 HA GLN A 49 46.693 38.263 27.826 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.220 36.301 28.052 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.986 35.287 27.330 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.071 36.638 25.258 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.281 37.681 25.978 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.894 36.460 23.559 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.101 35.197 23.822 1.00 0.00 H new ATOM 794 N LEU A 50 44.847 38.255 26.196 1.00 0.00 N ATOM 795 CA LEU A 50 43.872 38.283 25.124 1.00 0.00 C ATOM 796 C LEU A 50 44.479 37.583 23.906 1.00 0.00 C ATOM 797 O LEU A 50 45.455 38.063 23.332 1.00 0.00 O ATOM 798 CB LEU A 50 43.485 39.728 24.819 1.00 0.00 C ATOM 799 CG LEU A 50 42.808 40.497 25.949 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.465 41.905 25.471 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.513 39.832 26.403 1.00 0.00 C ATOM 0 H LEU A 50 45.378 39.122 26.278 1.00 0.00 H new ATOM 0 HA LEU A 50 42.960 37.758 25.410 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.385 40.269 24.527 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.819 39.729 23.956 1.00 0.00 H new ATOM 0 HG LEU A 50 43.506 40.516 26.786 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.981 42.455 26.278 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.378 42.422 25.176 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.790 41.845 24.617 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.067 40.415 27.209 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.818 39.780 25.565 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.727 38.825 26.760 1.00 0.00 H new ATOM 813 N GLU A 51 43.926 36.433 23.533 1.00 0.00 N ATOM 814 CA GLU A 51 44.441 35.552 22.506 1.00 0.00 C ATOM 815 C GLU A 51 43.552 35.512 21.261 1.00 0.00 C ATOM 816 O GLU A 51 42.337 35.690 21.317 1.00 0.00 O ATOM 817 CB GLU A 51 44.735 34.173 23.089 1.00 0.00 C ATOM 818 CG GLU A 51 45.875 34.254 24.102 1.00 0.00 C ATOM 819 CD GLU A 51 46.353 32.893 24.609 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.873 32.445 25.673 1.00 0.00 O ATOM 821 OE2 GLU A 51 47.252 32.299 23.975 1.00 0.00 O ATOM 0 H GLU A 51 43.070 36.080 23.961 1.00 0.00 H new ATOM 0 HA GLU A 51 45.387 35.961 22.152 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.841 33.776 23.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 45.000 33.482 22.289 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.716 34.777 23.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.550 34.854 24.952 1.00 0.00 H new ATOM 828 N ASP A 52 44.175 35.297 20.106 1.00 0.00 N ATOM 829 CA ASP A 52 43.724 35.710 18.793 1.00 0.00 C ATOM 830 C ASP A 52 42.720 34.765 18.127 1.00 0.00 C ATOM 831 O ASP A 52 42.681 34.629 16.907 1.00 0.00 O ATOM 832 CB ASP A 52 44.935 36.013 17.915 1.00 0.00 C ATOM 833 CG ASP A 52 45.965 36.976 18.510 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.181 38.068 17.940 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.641 36.622 19.500 1.00 0.00 O ATOM 0 H ASP A 52 45.064 34.798 20.066 1.00 0.00 H new ATOM 0 HA ASP A 52 43.142 36.622 18.927 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.436 35.073 17.683 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.581 36.427 16.971 1.00 0.00 H new ATOM 840 N GLY A 53 41.876 34.113 18.921 1.00 0.00 N ATOM 841 CA GLY A 53 40.766 33.288 18.486 1.00 0.00 C ATOM 842 C GLY A 53 39.379 33.756 18.930 1.00 0.00 C ATOM 843 O GLY A 53 38.387 33.136 18.552 1.00 0.00 O ATOM 0 H GLY A 53 41.957 34.151 19.937 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.781 33.236 17.397 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.923 32.275 18.856 1.00 0.00 H new ATOM 847 N ARG A 54 39.279 34.821 19.719 1.00 0.00 N ATOM 848 CA ARG A 54 38.059 35.318 20.323 1.00 0.00 C ATOM 849 C ARG A 54 37.850 36.813 20.070 1.00 0.00 C ATOM 850 O ARG A 54 38.812 37.536 19.818 1.00 0.00 O ATOM 851 CB ARG A 54 38.082 35.003 21.816 1.00 0.00 C ATOM 852 CG ARG A 54 37.601 33.589 22.129 1.00 0.00 C ATOM 853 CD ARG A 54 38.058 33.082 23.494 1.00 0.00 C ATOM 854 NE ARG A 54 39.497 32.826 23.568 1.00 0.00 N ATOM 855 CZ ARG A 54 40.187 31.864 22.940 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.618 30.982 22.105 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.511 31.770 23.122 1.00 0.00 N ATOM 0 H ARG A 54 40.092 35.386 19.964 1.00 0.00 H new ATOM 0 HA ARG A 54 37.212 34.815 19.857 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.097 35.129 22.194 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.454 35.721 22.344 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.512 33.566 22.087 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.964 32.910 21.357 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.787 33.815 24.254 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.521 32.164 23.731 1.00 0.00 H new ATOM 0 HE ARG A 54 40.037 33.452 24.166 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.615 31.025 21.924 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.188 30.268 21.651 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.989 32.429 23.736 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.041 31.040 22.646 1.00 0.00 H new ATOM 871 N THR A 55 36.599 37.260 20.132 1.00 0.00 N ATOM 872 CA THR A 55 36.197 38.637 19.934 1.00 0.00 C ATOM 873 C THR A 55 36.128 39.410 21.253 1.00 0.00 C ATOM 874 O THR A 55 36.058 38.808 22.323 1.00 0.00 O ATOM 875 CB THR A 55 34.878 38.761 19.177 1.00 0.00 C ATOM 876 OG1 THR A 55 33.779 38.268 19.912 1.00 0.00 O ATOM 877 CG2 THR A 55 34.888 38.034 17.836 1.00 0.00 C ATOM 0 H THR A 55 35.811 36.643 20.330 1.00 0.00 H new ATOM 0 HA THR A 55 36.975 39.086 19.316 1.00 0.00 H new ATOM 0 HB THR A 55 34.769 39.833 19.014 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.841 37.292 19.978 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.922 38.160 17.347 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.672 38.449 17.203 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.077 36.973 17.999 1.00 0.00 H new ATOM 885 N LEU A 56 36.132 40.740 21.219 1.00 0.00 N ATOM 886 CA LEU A 56 36.173 41.555 22.417 1.00 0.00 C ATOM 887 C LEU A 56 35.001 41.317 23.372 1.00 0.00 C ATOM 888 O LEU A 56 35.193 41.339 24.585 1.00 0.00 O ATOM 889 CB LEU A 56 36.278 43.035 22.066 1.00 0.00 C ATOM 890 CG LEU A 56 37.455 43.442 21.184 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.587 44.961 21.205 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.806 42.861 21.593 1.00 0.00 C ATOM 0 H LEU A 56 36.107 41.279 20.354 1.00 0.00 H new ATOM 0 HA LEU A 56 37.070 41.242 22.952 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.357 43.333 21.565 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.335 43.603 22.995 1.00 0.00 H new ATOM 0 HG LEU A 56 37.225 43.041 20.197 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.426 45.262 20.577 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.670 45.411 20.825 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.760 45.297 22.227 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.576 43.210 20.904 1.00 0.00 H new ATOM 0 HD22 LEU A 56 39.050 43.185 22.605 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.758 41.772 21.563 1.00 0.00 H new ATOM 904 N SER A 57 33.809 41.040 22.850 1.00 0.00 N ATOM 905 CA SER A 57 32.657 40.674 23.647 1.00 0.00 C ATOM 906 C SER A 57 32.764 39.297 24.306 1.00 0.00 C ATOM 907 O SER A 57 32.247 39.131 25.409 1.00 0.00 O ATOM 908 CB SER A 57 31.369 40.781 22.836 1.00 0.00 C ATOM 909 OG SER A 57 31.360 39.960 21.689 1.00 0.00 O ATOM 0 H SER A 57 33.621 41.066 21.848 1.00 0.00 H new ATOM 0 HA SER A 57 32.630 41.396 24.463 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.525 40.514 23.472 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.224 41.818 22.533 1.00 0.00 H new ATOM 0 HG SER A 57 31.885 40.385 20.979 1.00 0.00 H new ATOM 915 N ASP A 58 33.500 38.353 23.726 1.00 0.00 N ATOM 916 CA ASP A 58 33.801 37.084 24.357 1.00 0.00 C ATOM 917 C ASP A 58 34.731 37.251 25.560 1.00 0.00 C ATOM 918 O ASP A 58 34.738 36.410 26.456 1.00 0.00 O ATOM 919 CB ASP A 58 34.437 36.110 23.369 1.00 0.00 C ATOM 920 CG ASP A 58 33.651 35.905 22.072 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.414 35.727 22.110 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.283 35.894 20.994 1.00 0.00 O ATOM 0 H ASP A 58 33.905 38.454 22.796 1.00 0.00 H new ATOM 0 HA ASP A 58 32.849 36.680 24.702 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.436 36.469 23.119 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.559 35.144 23.860 1.00 0.00 H new ATOM 927 N TYR A 59 35.499 38.337 25.600 1.00 0.00 N ATOM 928 CA TYR A 59 36.338 38.759 26.703 1.00 0.00 C ATOM 929 C TYR A 59 35.666 39.773 27.631 1.00 0.00 C ATOM 930 O TYR A 59 36.324 40.313 28.518 1.00 0.00 O ATOM 931 CB TYR A 59 37.668 39.268 26.155 1.00 0.00 C ATOM 932 CG TYR A 59 38.535 38.231 25.483 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.874 38.347 24.130 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.084 37.196 26.251 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.763 37.440 23.540 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.958 36.270 25.670 1.00 0.00 C ATOM 937 CZ TYR A 59 40.305 36.391 24.309 1.00 0.00 C ATOM 938 OH TYR A 59 41.174 35.493 23.764 1.00 0.00 O ATOM 0 H TYR A 59 35.550 38.981 24.811 1.00 0.00 H new ATOM 0 HA TYR A 59 36.519 37.890 27.336 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.465 40.065 25.440 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.233 39.712 26.975 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.447 39.142 23.537 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.831 37.112 27.298 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.032 37.544 22.499 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.366 35.465 26.263 1.00 0.00 H new ATOM 0 HH TYR A 59 41.444 35.799 22.873 1.00 0.00 H new ATOM 948 N ASN A 60 34.373 40.042 27.477 1.00 0.00 N ATOM 949 CA ASN A 60 33.605 40.967 28.286 1.00 0.00 C ATOM 950 C ASN A 60 34.134 42.401 28.324 1.00 0.00 C ATOM 951 O ASN A 60 33.972 43.095 29.324 1.00 0.00 O ATOM 952 CB ASN A 60 33.350 40.371 29.668 1.00 0.00 C ATOM 953 CG ASN A 60 32.532 39.078 29.658 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.675 38.857 28.806 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.726 38.221 30.656 1.00 0.00 N ATOM 0 H ASN A 60 33.812 39.598 26.750 1.00 0.00 H new ATOM 0 HA ASN A 60 32.646 41.090 27.783 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.309 40.176 30.149 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.831 41.110 30.279 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.161 37.374 30.718 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.439 38.411 31.360 1.00 0.00 H new ATOM 962 N ILE A 61 34.768 42.895 27.263 1.00 0.00 N ATOM 963 CA ILE A 61 35.269 44.254 27.206 1.00 0.00 C ATOM 964 C ILE A 61 34.125 45.215 26.878 1.00 0.00 C ATOM 965 O ILE A 61 33.491 45.070 25.835 1.00 0.00 O ATOM 966 CB ILE A 61 36.422 44.355 26.213 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.614 43.512 26.659 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.869 45.801 26.019 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.603 43.190 25.542 1.00 0.00 C ATOM 0 H ILE A 61 34.947 42.355 26.416 1.00 0.00 H new ATOM 0 HA ILE A 61 35.667 44.540 28.180 1.00 0.00 H new ATOM 0 HB ILE A 61 36.052 43.971 25.262 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.140 44.039 27.455 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.246 42.578 27.084 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.692 45.835 25.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.035 46.392 25.640 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.200 46.211 26.973 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.420 42.589 25.941 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.094 42.634 24.755 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.002 44.117 25.131 1.00 0.00 H new ATOM 981 N GLN A 62 33.864 46.190 27.743 1.00 0.00 N ATOM 982 CA GLN A 62 32.853 47.216 27.579 1.00 0.00 C ATOM 983 C GLN A 62 33.452 48.607 27.364 1.00 0.00 C ATOM 984 O GLN A 62 34.661 48.790 27.474 1.00 0.00 O ATOM 985 CB GLN A 62 31.915 47.179 28.782 1.00 0.00 C ATOM 986 CG GLN A 62 31.085 45.898 28.835 1.00 0.00 C ATOM 987 CD GLN A 62 30.039 45.874 29.952 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.997 46.692 30.868 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.131 44.903 29.917 1.00 0.00 N ATOM 0 H GLN A 62 34.379 46.286 28.618 1.00 0.00 H new ATOM 0 HA GLN A 62 32.287 47.004 26.672 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.500 47.268 29.698 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.247 48.040 28.745 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.581 45.765 27.878 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.756 45.049 28.963 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.149 44.214 29.165 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.416 44.847 30.642 1.00 0.00 H new ATOM 998 N LYS A 63 32.623 49.604 27.066 1.00 0.00 N ATOM 999 CA LYS A 63 33.031 50.948 26.712 1.00 0.00 C ATOM 1000 C LYS A 63 33.976 51.614 27.717 1.00 0.00 C ATOM 1001 O LYS A 63 33.799 51.524 28.929 1.00 0.00 O ATOM 1002 CB LYS A 63 31.819 51.823 26.409 1.00 0.00 C ATOM 1003 CG LYS A 63 30.883 52.127 27.577 1.00 0.00 C ATOM 1004 CD LYS A 63 31.060 53.503 28.214 1.00 0.00 C ATOM 1005 CE LYS A 63 30.585 54.625 27.295 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.615 55.932 27.969 1.00 0.00 N ATOM 0 H LYS A 63 31.610 49.486 27.066 1.00 0.00 H new ATOM 0 HA LYS A 63 33.625 50.844 25.804 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.176 52.770 26.004 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.238 51.339 25.624 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.854 52.035 27.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.029 51.368 28.345 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.505 53.543 29.151 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.111 53.656 28.460 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.216 54.659 26.407 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.571 54.413 26.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.928 56.570 27.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.370 55.811 28.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.568 56.340 27.892 1.00 0.00 H new ATOM 1020 N GLU A 64 34.976 52.300 27.171 1.00 0.00 N ATOM 1021 CA GLU A 64 35.991 53.068 27.861 1.00 0.00 C ATOM 1022 C GLU A 64 36.861 52.284 28.845 1.00 0.00 C ATOM 1023 O GLU A 64 37.525 52.867 29.699 1.00 0.00 O ATOM 1024 CB GLU A 64 35.408 54.364 28.417 1.00 0.00 C ATOM 1025 CG GLU A 64 34.711 55.214 27.359 1.00 0.00 C ATOM 1026 CD GLU A 64 34.341 56.587 27.924 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.211 57.485 27.949 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.185 56.789 28.356 1.00 0.00 O ATOM 0 H GLU A 64 35.101 52.332 26.159 1.00 0.00 H new ATOM 0 HA GLU A 64 36.725 53.344 27.104 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.697 54.125 29.208 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.207 54.948 28.873 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.364 55.335 26.495 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.812 54.705 27.011 1.00 0.00 H new ATOM 1035 N SER A 65 36.884 50.961 28.708 1.00 0.00 N ATOM 1036 CA SER A 65 37.781 50.074 29.419 1.00 0.00 C ATOM 1037 C SER A 65 39.247 50.313 29.048 1.00 0.00 C ATOM 1038 O SER A 65 39.557 50.736 27.938 1.00 0.00 O ATOM 1039 CB SER A 65 37.463 48.608 29.140 1.00 0.00 C ATOM 1040 OG SER A 65 36.155 48.274 29.550 1.00 0.00 O ATOM 0 H SER A 65 36.255 50.467 28.076 1.00 0.00 H new ATOM 0 HA SER A 65 37.631 50.296 30.476 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.573 48.407 28.074 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.181 47.974 29.660 1.00 0.00 H new ATOM 0 HG SER A 65 35.611 48.056 28.764 1.00 0.00 H new ATOM 1046 N THR A 66 40.144 49.979 29.972 1.00 0.00 N ATOM 1047 CA THR A 66 41.579 50.066 29.792 1.00 0.00 C ATOM 1048 C THR A 66 42.186 48.664 29.705 1.00 0.00 C ATOM 1049 O THR A 66 41.967 47.830 30.580 1.00 0.00 O ATOM 1050 CB THR A 66 42.220 50.877 30.917 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.712 52.191 30.901 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.733 51.015 30.780 1.00 0.00 C ATOM 0 H THR A 66 39.878 49.630 30.893 1.00 0.00 H new ATOM 0 HA THR A 66 41.782 50.585 28.855 1.00 0.00 H new ATOM 0 HB THR A 66 41.988 50.337 31.835 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.123 52.709 31.624 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.122 51.602 31.612 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.191 50.026 30.789 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.969 51.516 29.841 1.00 0.00 H new ATOM 1060 N LEU A 67 42.966 48.427 28.654 1.00 0.00 N ATOM 1061 CA LEU A 67 43.757 47.235 28.428 1.00 0.00 C ATOM 1062 C LEU A 67 45.238 47.536 28.671 1.00 0.00 C ATOM 1063 O LEU A 67 45.653 48.692 28.712 1.00 0.00 O ATOM 1064 CB LEU A 67 43.527 46.705 27.016 1.00 0.00 C ATOM 1065 CG LEU A 67 42.096 46.659 26.489 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.084 46.030 25.098 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.132 45.858 27.358 1.00 0.00 C ATOM 0 H LEU A 67 43.064 49.104 27.898 1.00 0.00 H new ATOM 0 HA LEU A 67 43.446 46.462 29.130 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.115 47.316 26.331 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.932 45.694 26.969 1.00 0.00 H new ATOM 0 HG LEU A 67 41.756 47.695 26.484 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.061 45.997 24.722 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.700 46.626 24.424 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.483 45.017 25.153 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.138 45.877 26.911 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.478 44.827 27.430 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.090 46.297 28.355 1.00 0.00 H new ATOM 1079 N HIS A 68 46.071 46.503 28.760 1.00 0.00 N ATOM 1080 CA HIS A 68 47.507 46.637 28.896 1.00 0.00 C ATOM 1081 C HIS A 68 48.227 45.983 27.714 1.00 0.00 C ATOM 1082 O HIS A 68 47.805 44.935 27.231 1.00 0.00 O ATOM 1083 CB HIS A 68 47.948 46.048 30.233 1.00 0.00 C ATOM 1084 CG HIS A 68 47.224 46.628 31.417 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.667 47.692 32.202 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.035 46.172 31.924 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.732 47.882 33.136 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.746 46.981 33.005 1.00 0.00 N ATOM 0 H HIS A 68 45.755 45.534 28.739 1.00 0.00 H new ATOM 0 HA HIS A 68 47.777 47.693 28.884 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.791 44.970 30.215 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.018 46.212 30.357 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.444 45.347 31.553 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.765 48.653 33.891 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.923 46.906 33.603 1.00 0.00 H new ATOM 1096 N LEU A 69 49.318 46.586 27.253 1.00 0.00 N ATOM 1097 CA LEU A 69 50.164 46.088 26.187 1.00 0.00 C ATOM 1098 C LEU A 69 51.557 45.771 26.737 1.00 0.00 C ATOM 1099 O LEU A 69 52.282 46.667 27.164 1.00 0.00 O ATOM 1100 CB LEU A 69 50.195 47.112 25.056 1.00 0.00 C ATOM 1101 CG LEU A 69 51.179 46.811 23.929 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.887 45.498 23.208 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.125 47.932 22.895 1.00 0.00 C ATOM 0 H LEU A 69 49.647 47.474 27.633 1.00 0.00 H new ATOM 0 HA LEU A 69 49.765 45.159 25.780 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.194 47.190 24.631 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.439 48.087 25.478 1.00 0.00 H new ATOM 0 HG LEU A 69 52.162 46.730 24.393 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.623 45.345 22.419 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.940 44.673 23.919 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.889 45.537 22.771 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.827 47.718 22.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.116 48.003 22.488 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.392 48.877 23.368 1.00 0.00 H new ATOM 1115 N VAL A 70 51.933 44.496 26.688 1.00 0.00 N ATOM 1116 CA VAL A 70 53.270 44.008 26.961 1.00 0.00 C ATOM 1117 C VAL A 70 53.987 43.854 25.618 1.00 0.00 C ATOM 1118 O VAL A 70 53.579 43.066 24.767 1.00 0.00 O ATOM 1119 CB VAL A 70 53.229 42.700 27.746 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.627 42.140 27.988 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.561 42.885 29.106 1.00 0.00 C ATOM 0 H VAL A 70 51.283 43.748 26.446 1.00 0.00 H new ATOM 0 HA VAL A 70 53.816 44.713 27.587 1.00 0.00 H new ATOM 0 HB VAL A 70 52.653 42.004 27.136 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.554 41.209 28.550 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.113 41.949 27.031 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.215 42.861 28.556 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.549 41.934 29.638 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.118 43.619 29.688 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.538 43.234 28.965 1.00 0.00 H new