USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 -82:sc= 1.95 USER MOD Set 1.2: A 57 SER OG : rot -40:sc= 1.07 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.442 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.765 K(o=1.2,f=-5!) USER MOD Set 3.1: A 7 THR OG1 : rot 124:sc= 1.51 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.23 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 1.15 K(o=1.2,f=-0.038) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.07) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 1.03 (180deg=-0.0518!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -99:sc= 0.101 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.91 (180deg=1.71!) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 2.52 (180deg=2.02) USER MOD Single : A 31 GLN : amide:sc= -1.04 K(o=-1,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.236 K(o=0.24,f=-0.78) USER MOD Single : A 41 GLN : amide:sc= 0.816 K(o=0.82,f=-0.74) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.31 K(o=1.3,f=-6!) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.506 USER MOD Single : A 60 ASN : amide:sc= -0.0939 K(o=-0.094,f=-1.7!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc=-0.00135 (180deg=-0.0349) USER MOD Single : A 65 SER OG : rot 89:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.457 51.758 20.183 1.00 0.00 N ATOM 2 CA MET A 1 32.852 52.072 21.565 1.00 0.00 C ATOM 3 C MET A 1 34.349 52.380 21.630 1.00 0.00 C ATOM 4 O MET A 1 35.083 52.063 20.697 1.00 0.00 O ATOM 5 CB MET A 1 32.436 50.980 22.545 1.00 0.00 C ATOM 6 CG MET A 1 33.178 49.657 22.379 1.00 0.00 C ATOM 7 SD MET A 1 32.600 48.363 23.505 1.00 0.00 S ATOM 8 CE MET A 1 33.866 47.109 23.188 1.00 0.00 C ATOM 0 H1 MET A 1 31.479 51.404 20.173 1.00 0.00 H new ATOM 0 H2 MET A 1 32.520 52.617 19.600 1.00 0.00 H new ATOM 0 H3 MET A 1 33.092 51.031 19.797 1.00 0.00 H new ATOM 0 HA MET A 1 32.314 52.967 21.878 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.592 51.344 23.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.367 50.798 22.433 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.064 49.312 21.351 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.243 49.823 22.544 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.669 46.230 23.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.845 46.828 22.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.848 47.512 23.436 1.00 0.00 H new ATOM 20 N GLN A 2 34.826 52.979 22.719 1.00 0.00 N ATOM 21 CA GLN A 2 36.214 53.353 22.899 1.00 0.00 C ATOM 22 C GLN A 2 36.922 52.455 23.915 1.00 0.00 C ATOM 23 O GLN A 2 36.302 52.016 24.882 1.00 0.00 O ATOM 24 CB GLN A 2 36.272 54.829 23.282 1.00 0.00 C ATOM 25 CG GLN A 2 37.684 55.410 23.262 1.00 0.00 C ATOM 26 CD GLN A 2 37.643 56.935 23.370 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.814 57.523 24.437 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.362 57.632 22.274 1.00 0.00 N ATOM 0 H GLN A 2 34.238 53.221 23.516 1.00 0.00 H new ATOM 0 HA GLN A 2 36.755 53.209 21.964 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.644 55.399 22.597 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.851 54.954 24.279 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.264 54.998 24.088 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.189 55.119 22.341 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.219 57.151 21.386 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.289 58.648 22.321 1.00 0.00 H new ATOM 37 N ILE A 3 38.216 52.220 23.717 1.00 0.00 N ATOM 38 CA ILE A 3 39.102 51.533 24.635 1.00 0.00 C ATOM 39 C ILE A 3 40.429 52.279 24.785 1.00 0.00 C ATOM 40 O ILE A 3 40.777 53.121 23.960 1.00 0.00 O ATOM 41 CB ILE A 3 39.349 50.087 24.214 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.962 49.984 22.821 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.077 49.253 24.350 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.530 48.609 22.483 1.00 0.00 C ATOM 0 H ILE A 3 38.693 52.521 22.867 1.00 0.00 H new ATOM 0 HA ILE A 3 38.603 51.516 25.604 1.00 0.00 H new ATOM 0 HB ILE A 3 40.089 49.671 24.898 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.202 50.241 22.083 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.757 50.724 22.731 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.280 48.227 24.044 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.745 49.263 25.388 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.297 49.673 23.715 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.945 48.625 21.475 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.315 48.354 23.195 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.736 47.864 22.537 1.00 0.00 H new ATOM 56 N PHE A 4 41.200 51.917 25.806 1.00 0.00 N ATOM 57 CA PHE A 4 42.530 52.427 26.074 1.00 0.00 C ATOM 58 C PHE A 4 43.532 51.280 26.219 1.00 0.00 C ATOM 59 O PHE A 4 43.222 50.267 26.841 1.00 0.00 O ATOM 60 CB PHE A 4 42.529 53.274 27.344 1.00 0.00 C ATOM 61 CG PHE A 4 41.457 54.334 27.419 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.679 55.602 26.870 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.238 54.050 28.049 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.683 56.584 26.938 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.240 55.030 28.112 1.00 0.00 C ATOM 66 CZ PHE A 4 39.458 56.294 27.552 1.00 0.00 C ATOM 0 H PHE A 4 40.897 51.230 26.496 1.00 0.00 H new ATOM 0 HA PHE A 4 42.829 53.049 25.230 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.420 52.611 28.202 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.501 53.758 27.437 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.622 55.824 26.392 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.069 53.077 28.485 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.859 57.563 26.518 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.299 54.810 28.594 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.683 57.045 27.593 1.00 0.00 H new ATOM 76 N VAL A 5 44.745 51.445 25.699 1.00 0.00 N ATOM 77 CA VAL A 5 45.858 50.541 25.912 1.00 0.00 C ATOM 78 C VAL A 5 47.000 51.295 26.597 1.00 0.00 C ATOM 79 O VAL A 5 47.432 52.342 26.121 1.00 0.00 O ATOM 80 CB VAL A 5 46.294 49.856 24.619 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.374 48.813 24.892 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.132 49.160 23.915 1.00 0.00 C ATOM 0 H VAL A 5 44.982 52.237 25.101 1.00 0.00 H new ATOM 0 HA VAL A 5 45.539 49.734 26.572 1.00 0.00 H new ATOM 0 HB VAL A 5 46.681 50.645 23.974 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.667 48.339 23.955 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.241 49.296 25.342 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.986 48.057 25.575 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.491 48.687 23.001 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.709 48.401 24.574 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.365 49.894 23.667 1.00 0.00 H new ATOM 92 N LYS A 6 47.453 50.773 27.733 1.00 0.00 N ATOM 93 CA LYS A 6 48.438 51.336 28.634 1.00 0.00 C ATOM 94 C LYS A 6 49.752 50.557 28.541 1.00 0.00 C ATOM 95 O LYS A 6 49.747 49.329 28.592 1.00 0.00 O ATOM 96 CB LYS A 6 47.823 51.336 30.031 1.00 0.00 C ATOM 97 CG LYS A 6 48.759 51.613 31.203 1.00 0.00 C ATOM 98 CD LYS A 6 49.485 52.954 31.150 1.00 0.00 C ATOM 99 CE LYS A 6 50.334 53.221 32.390 1.00 0.00 C ATOM 100 NZ LYS A 6 51.323 52.163 32.643 1.00 0.00 N ATOM 0 H LYS A 6 47.109 49.873 28.069 1.00 0.00 H new ATOM 0 HA LYS A 6 48.694 52.362 28.368 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.028 52.081 30.050 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.355 50.365 30.194 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.183 51.566 32.127 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.502 50.817 31.250 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.123 52.981 30.267 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.753 53.754 31.039 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.850 54.174 32.273 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.681 53.317 33.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 51.958 52.458 33.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.833 51.288 32.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 51.879 51.994 31.780 1.00 0.00 H new ATOM 114 N THR A 7 50.865 51.274 28.418 1.00 0.00 N ATOM 115 CA THR A 7 52.198 50.713 28.334 1.00 0.00 C ATOM 116 C THR A 7 53.030 50.925 29.599 1.00 0.00 C ATOM 117 O THR A 7 52.847 51.907 30.315 1.00 0.00 O ATOM 118 CB THR A 7 52.971 51.272 27.142 1.00 0.00 C ATOM 119 OG1 THR A 7 53.355 52.609 27.366 1.00 0.00 O ATOM 120 CG2 THR A 7 52.184 51.248 25.835 1.00 0.00 C ATOM 0 H THR A 7 50.857 52.293 28.373 1.00 0.00 H new ATOM 0 HA THR A 7 52.041 49.642 28.208 1.00 0.00 H new ATOM 0 HB THR A 7 53.837 50.617 27.046 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.326 52.693 27.261 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.797 51.660 25.034 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.913 50.221 25.592 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.279 51.846 25.944 1.00 0.00 H new ATOM 128 N LEU A 8 54.026 50.075 29.831 1.00 0.00 N ATOM 129 CA LEU A 8 55.030 50.234 30.864 1.00 0.00 C ATOM 130 C LEU A 8 55.964 51.424 30.638 1.00 0.00 C ATOM 131 O LEU A 8 56.696 51.814 31.544 1.00 0.00 O ATOM 132 CB LEU A 8 55.841 48.946 30.988 1.00 0.00 C ATOM 133 CG LEU A 8 55.070 47.713 31.452 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.977 46.487 31.385 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.573 47.840 32.889 1.00 0.00 C ATOM 0 H LEU A 8 54.156 49.226 29.281 1.00 0.00 H new ATOM 0 HA LEU A 8 54.496 50.442 31.791 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.289 48.727 30.019 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.660 49.121 31.685 1.00 0.00 H new ATOM 0 HG LEU A 8 54.209 47.615 30.791 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.425 45.608 31.717 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.313 46.339 30.359 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.841 46.638 32.032 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.032 46.936 33.168 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.423 47.974 33.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.909 48.700 32.970 1.00 0.00 H new ATOM 147 N THR A 9 55.934 52.017 29.448 1.00 0.00 N ATOM 148 CA THR A 9 56.571 53.265 29.078 1.00 0.00 C ATOM 149 C THR A 9 55.710 54.497 29.360 1.00 0.00 C ATOM 150 O THR A 9 56.115 55.614 29.049 1.00 0.00 O ATOM 151 CB THR A 9 57.037 53.227 27.626 1.00 0.00 C ATOM 152 OG1 THR A 9 56.015 52.758 26.775 1.00 0.00 O ATOM 153 CG2 THR A 9 58.229 52.291 27.446 1.00 0.00 C ATOM 0 H THR A 9 55.426 51.604 28.666 1.00 0.00 H new ATOM 0 HA THR A 9 57.446 53.366 29.721 1.00 0.00 H new ATOM 0 HB THR A 9 57.314 54.250 27.370 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.339 52.745 25.850 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.535 52.288 26.400 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.058 52.634 28.065 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.947 51.281 27.744 1.00 0.00 H new ATOM 161 N GLY A 10 54.537 54.344 29.968 1.00 0.00 N ATOM 162 CA GLY A 10 53.704 55.438 30.427 1.00 0.00 C ATOM 163 C GLY A 10 52.862 56.128 29.353 1.00 0.00 C ATOM 164 O GLY A 10 52.379 57.235 29.583 1.00 0.00 O ATOM 0 H GLY A 10 54.133 53.427 30.158 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.035 55.061 31.200 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.344 56.185 30.896 1.00 0.00 H new ATOM 168 N LYS A 11 52.686 55.503 28.192 1.00 0.00 N ATOM 169 CA LYS A 11 51.831 55.982 27.125 1.00 0.00 C ATOM 170 C LYS A 11 50.427 55.389 27.259 1.00 0.00 C ATOM 171 O LYS A 11 50.273 54.235 27.651 1.00 0.00 O ATOM 172 CB LYS A 11 52.480 55.692 25.775 1.00 0.00 C ATOM 173 CG LYS A 11 51.873 56.499 24.630 1.00 0.00 C ATOM 174 CD LYS A 11 52.642 56.300 23.327 1.00 0.00 C ATOM 175 CE LYS A 11 52.069 57.185 22.222 1.00 0.00 C ATOM 176 NZ LYS A 11 52.862 57.083 20.988 1.00 0.00 N ATOM 0 H LYS A 11 53.151 54.623 27.967 1.00 0.00 H new ATOM 0 HA LYS A 11 51.714 57.063 27.197 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.546 55.908 25.838 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.383 54.629 25.553 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.834 56.203 24.488 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.870 57.557 24.892 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.695 56.537 23.480 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.591 55.254 23.025 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.038 56.895 22.019 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.048 58.222 22.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.290 57.403 20.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.710 57.679 21.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.147 56.094 20.839 1.00 0.00 H new ATOM 190 N THR A 12 49.413 56.170 26.896 1.00 0.00 N ATOM 191 CA THR A 12 48.037 55.729 26.783 1.00 0.00 C ATOM 192 C THR A 12 47.573 55.899 25.335 1.00 0.00 C ATOM 193 O THR A 12 47.667 56.981 24.760 1.00 0.00 O ATOM 194 CB THR A 12 47.120 56.474 27.749 1.00 0.00 C ATOM 195 OG1 THR A 12 47.557 56.327 29.082 1.00 0.00 O ATOM 196 CG2 THR A 12 45.685 55.955 27.717 1.00 0.00 C ATOM 0 H THR A 12 49.536 57.156 26.667 1.00 0.00 H new ATOM 0 HA THR A 12 47.984 54.675 27.058 1.00 0.00 H new ATOM 0 HB THR A 12 47.153 57.514 27.424 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.953 56.815 29.680 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.078 56.521 28.423 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.278 56.072 26.713 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.673 54.900 27.992 1.00 0.00 H new ATOM 204 N ILE A 13 47.081 54.815 24.742 1.00 0.00 N ATOM 205 CA ILE A 13 46.725 54.684 23.343 1.00 0.00 C ATOM 206 C ILE A 13 45.209 54.496 23.267 1.00 0.00 C ATOM 207 O ILE A 13 44.696 53.477 23.725 1.00 0.00 O ATOM 208 CB ILE A 13 47.499 53.514 22.743 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.009 53.727 22.806 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.038 53.218 21.319 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.841 52.472 22.558 1.00 0.00 C ATOM 0 H ILE A 13 46.912 53.954 25.263 1.00 0.00 H new ATOM 0 HA ILE A 13 46.989 55.569 22.765 1.00 0.00 H new ATOM 0 HB ILE A 13 47.278 52.640 23.355 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.287 54.482 22.070 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.265 54.128 23.787 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.608 52.380 20.919 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.978 52.966 21.325 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.199 54.097 20.695 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.901 52.719 22.622 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.598 51.720 23.309 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.620 52.079 21.566 1.00 0.00 H new ATOM 223 N THR A 14 44.477 55.466 22.723 1.00 0.00 N ATOM 224 CA THR A 14 43.028 55.478 22.712 1.00 0.00 C ATOM 225 C THR A 14 42.490 55.070 21.339 1.00 0.00 C ATOM 226 O THR A 14 42.849 55.689 20.339 1.00 0.00 O ATOM 227 CB THR A 14 42.486 56.845 23.116 1.00 0.00 C ATOM 228 OG1 THR A 14 43.131 57.324 24.275 1.00 0.00 O ATOM 229 CG2 THR A 14 40.989 56.794 23.410 1.00 0.00 C ATOM 0 H THR A 14 44.890 56.281 22.269 1.00 0.00 H new ATOM 0 HA THR A 14 42.684 54.749 23.445 1.00 0.00 H new ATOM 0 HB THR A 14 42.675 57.509 22.273 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.570 57.146 25.059 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.640 57.787 23.694 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.454 56.463 22.520 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.802 56.096 24.226 1.00 0.00 H new ATOM 237 N LEU A 15 41.651 54.039 21.279 1.00 0.00 N ATOM 238 CA LEU A 15 41.191 53.428 20.048 1.00 0.00 C ATOM 239 C LEU A 15 39.670 53.269 20.013 1.00 0.00 C ATOM 240 O LEU A 15 39.044 53.034 21.044 1.00 0.00 O ATOM 241 CB LEU A 15 41.861 52.072 19.851 1.00 0.00 C ATOM 242 CG LEU A 15 43.385 52.066 19.791 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.901 50.630 19.731 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.925 52.817 18.577 1.00 0.00 C ATOM 0 H LEU A 15 41.265 53.597 22.113 1.00 0.00 H new ATOM 0 HA LEU A 15 41.469 54.096 19.233 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.549 51.417 20.664 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.482 51.636 18.927 1.00 0.00 H new ATOM 0 HG LEU A 15 43.734 52.570 20.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.990 50.636 19.688 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.576 50.089 20.620 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.506 50.138 18.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.014 52.782 18.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.552 52.351 17.665 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.595 53.855 18.615 1.00 0.00 H new ATOM 256 N GLU A 16 39.090 53.330 18.817 1.00 0.00 N ATOM 257 CA GLU A 16 37.712 52.960 18.566 1.00 0.00 C ATOM 258 C GLU A 16 37.629 51.488 18.156 1.00 0.00 C ATOM 259 O GLU A 16 38.433 51.007 17.362 1.00 0.00 O ATOM 260 CB GLU A 16 37.085 53.837 17.484 1.00 0.00 C ATOM 261 CG GLU A 16 37.199 55.348 17.656 1.00 0.00 C ATOM 262 CD GLU A 16 36.473 55.919 18.876 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.226 55.869 18.937 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.139 56.557 19.719 1.00 0.00 O ATOM 0 H GLU A 16 39.582 53.646 17.981 1.00 0.00 H new ATOM 0 HA GLU A 16 37.153 53.112 19.489 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.539 53.571 16.529 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.027 53.584 17.416 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.254 55.612 17.724 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.807 55.831 16.761 1.00 0.00 H new ATOM 271 N VAL A 17 36.661 50.758 18.703 1.00 0.00 N ATOM 272 CA VAL A 17 36.406 49.352 18.461 1.00 0.00 C ATOM 273 C VAL A 17 34.908 49.043 18.501 1.00 0.00 C ATOM 274 O VAL A 17 34.138 49.730 19.169 1.00 0.00 O ATOM 275 CB VAL A 17 37.115 48.461 19.476 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.633 48.493 19.324 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.749 48.794 20.919 1.00 0.00 C ATOM 0 H VAL A 17 35.998 51.161 19.365 1.00 0.00 H new ATOM 0 HA VAL A 17 36.798 49.139 17.466 1.00 0.00 H new ATOM 0 HB VAL A 17 36.760 47.454 19.255 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.087 47.842 20.071 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.906 48.148 18.327 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.991 49.513 19.466 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.285 48.126 21.594 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.024 49.826 21.135 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.676 48.668 21.061 1.00 0.00 H new ATOM 287 N GLU A 18 34.500 47.941 17.877 1.00 0.00 N ATOM 288 CA GLU A 18 33.260 47.265 18.199 1.00 0.00 C ATOM 289 C GLU A 18 33.566 45.995 18.994 1.00 0.00 C ATOM 290 O GLU A 18 34.676 45.476 18.898 1.00 0.00 O ATOM 291 CB GLU A 18 32.491 46.946 16.920 1.00 0.00 C ATOM 292 CG GLU A 18 32.081 48.166 16.099 1.00 0.00 C ATOM 293 CD GLU A 18 31.192 49.149 16.862 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.238 48.712 17.541 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.427 50.375 16.782 1.00 0.00 O ATOM 0 H GLU A 18 35.030 47.494 17.129 1.00 0.00 H new ATOM 0 HA GLU A 18 32.634 47.914 18.811 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.104 46.295 16.297 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.595 46.384 17.182 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.979 48.686 15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.554 47.831 15.205 1.00 0.00 H new ATOM 302 N PRO A 19 32.619 45.418 19.729 1.00 0.00 N ATOM 303 CA PRO A 19 32.809 44.141 20.386 1.00 0.00 C ATOM 304 C PRO A 19 33.182 42.974 19.471 1.00 0.00 C ATOM 305 O PRO A 19 33.659 41.950 19.955 1.00 0.00 O ATOM 306 CB PRO A 19 31.498 43.868 21.118 1.00 0.00 C ATOM 307 CG PRO A 19 30.947 45.264 21.399 1.00 0.00 C ATOM 308 CD PRO A 19 31.363 46.014 20.136 1.00 0.00 C ATOM 0 HA PRO A 19 33.672 44.211 21.048 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.812 43.282 20.507 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.662 43.309 22.039 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.866 45.259 21.536 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.380 45.703 22.298 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.610 45.915 19.354 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.480 47.080 20.333 1.00 0.00 H new ATOM 316 N SER A 20 32.986 43.121 18.163 1.00 0.00 N ATOM 317 CA SER A 20 33.372 42.188 17.125 1.00 0.00 C ATOM 318 C SER A 20 34.778 42.389 16.556 1.00 0.00 C ATOM 319 O SER A 20 35.207 41.593 15.725 1.00 0.00 O ATOM 320 CB SER A 20 32.342 42.240 16.000 1.00 0.00 C ATOM 321 OG SER A 20 32.389 43.470 15.312 1.00 0.00 O ATOM 0 H SER A 20 32.525 43.948 17.784 1.00 0.00 H new ATOM 0 HA SER A 20 33.399 41.207 17.600 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.524 41.424 15.301 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.344 42.090 16.412 1.00 0.00 H new ATOM 0 HG SER A 20 31.719 43.471 14.597 1.00 0.00 H new ATOM 327 N ASP A 21 35.515 43.417 16.970 1.00 0.00 N ATOM 328 CA ASP A 21 36.932 43.521 16.682 1.00 0.00 C ATOM 329 C ASP A 21 37.672 42.355 17.341 1.00 0.00 C ATOM 330 O ASP A 21 37.367 41.963 18.465 1.00 0.00 O ATOM 331 CB ASP A 21 37.515 44.853 17.142 1.00 0.00 C ATOM 332 CG ASP A 21 37.251 46.019 16.187 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.087 46.439 16.010 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.216 46.560 15.606 1.00 0.00 O ATOM 0 H ASP A 21 35.142 44.196 17.513 1.00 0.00 H new ATOM 0 HA ASP A 21 37.062 43.475 15.601 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.101 45.099 18.120 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.592 44.740 17.270 1.00 0.00 H new ATOM 339 N THR A 22 38.651 41.786 16.642 1.00 0.00 N ATOM 340 CA THR A 22 39.524 40.773 17.199 1.00 0.00 C ATOM 341 C THR A 22 40.663 41.376 18.024 1.00 0.00 C ATOM 342 O THR A 22 41.000 42.552 17.904 1.00 0.00 O ATOM 343 CB THR A 22 40.052 39.789 16.161 1.00 0.00 C ATOM 344 OG1 THR A 22 40.874 40.433 15.212 1.00 0.00 O ATOM 345 CG2 THR A 22 38.920 39.067 15.435 1.00 0.00 C ATOM 0 H THR A 22 38.856 42.020 15.671 1.00 0.00 H new ATOM 0 HA THR A 22 38.895 40.196 17.877 1.00 0.00 H new ATOM 0 HB THR A 22 40.643 39.054 16.707 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.198 39.776 14.561 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.339 38.375 14.704 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.320 38.513 16.157 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.291 39.797 14.925 1.00 0.00 H new ATOM 353 N ILE A 23 41.317 40.544 18.829 1.00 0.00 N ATOM 354 CA ILE A 23 42.550 40.919 19.491 1.00 0.00 C ATOM 355 C ILE A 23 43.620 41.275 18.458 1.00 0.00 C ATOM 356 O ILE A 23 44.382 42.214 18.684 1.00 0.00 O ATOM 357 CB ILE A 23 42.966 39.817 20.461 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.897 39.459 21.488 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.279 40.149 21.164 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.366 40.612 22.336 1.00 0.00 C ATOM 0 H ILE A 23 41.004 39.596 19.037 1.00 0.00 H new ATOM 0 HA ILE A 23 42.404 41.819 20.088 1.00 0.00 H new ATOM 0 HB ILE A 23 43.108 38.935 19.837 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.057 39.004 20.964 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.304 38.701 22.157 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.541 39.340 21.846 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.069 40.269 20.422 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.166 41.076 21.727 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.613 40.237 23.029 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.186 41.058 22.898 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.919 41.365 21.687 1.00 0.00 H new ATOM 372 N GLU A 24 43.627 40.643 17.287 1.00 0.00 N ATOM 373 CA GLU A 24 44.457 41.063 16.175 1.00 0.00 C ATOM 374 C GLU A 24 44.031 42.404 15.575 1.00 0.00 C ATOM 375 O GLU A 24 44.918 43.210 15.297 1.00 0.00 O ATOM 376 CB GLU A 24 44.562 39.956 15.130 1.00 0.00 C ATOM 377 CG GLU A 24 45.493 40.341 13.984 1.00 0.00 C ATOM 378 CD GLU A 24 46.009 39.118 13.222 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.517 38.836 12.108 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.921 38.425 13.724 1.00 0.00 O ATOM 0 H GLU A 24 43.053 39.823 17.088 1.00 0.00 H new ATOM 0 HA GLU A 24 45.457 41.240 16.571 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.926 39.044 15.603 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.571 39.736 14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.965 41.000 13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.339 40.904 14.379 1.00 0.00 H new ATOM 387 N ASN A 25 42.747 42.723 15.435 1.00 0.00 N ATOM 388 CA ASN A 25 42.329 44.044 15.013 1.00 0.00 C ATOM 389 C ASN A 25 42.848 45.141 15.944 1.00 0.00 C ATOM 390 O ASN A 25 43.340 46.163 15.469 1.00 0.00 O ATOM 391 CB ASN A 25 40.811 44.171 14.923 1.00 0.00 C ATOM 392 CG ASN A 25 40.142 43.423 13.767 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.163 42.701 13.949 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.588 43.647 12.535 1.00 0.00 N ATOM 0 H ASN A 25 41.979 42.076 15.610 1.00 0.00 H new ATOM 0 HA ASN A 25 42.762 44.176 14.021 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.380 43.814 15.858 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.559 45.228 14.840 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.118 43.220 11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.400 44.246 12.388 1.00 0.00 H new ATOM 401 N VAL A 26 42.803 44.942 17.259 1.00 0.00 N ATOM 402 CA VAL A 26 43.330 45.909 18.200 1.00 0.00 C ATOM 403 C VAL A 26 44.848 46.044 18.063 1.00 0.00 C ATOM 404 O VAL A 26 45.347 47.166 18.018 1.00 0.00 O ATOM 405 CB VAL A 26 42.895 45.618 19.634 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.473 46.625 20.626 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.375 45.707 19.743 1.00 0.00 C ATOM 0 H VAL A 26 42.402 44.111 17.693 1.00 0.00 H new ATOM 0 HA VAL A 26 42.898 46.878 17.948 1.00 0.00 H new ATOM 0 HB VAL A 26 43.260 44.619 19.874 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.136 46.378 21.633 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.562 46.589 20.588 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.134 47.628 20.366 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.071 45.498 20.769 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.048 46.709 19.464 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.919 44.977 19.074 1.00 0.00 H new ATOM 417 N LYS A 27 45.593 44.957 17.884 1.00 0.00 N ATOM 418 CA LYS A 27 47.016 45.033 17.621 1.00 0.00 C ATOM 419 C LYS A 27 47.351 45.678 16.275 1.00 0.00 C ATOM 420 O LYS A 27 48.312 46.440 16.199 1.00 0.00 O ATOM 421 CB LYS A 27 47.658 43.655 17.770 1.00 0.00 C ATOM 422 CG LYS A 27 47.671 43.182 19.221 1.00 0.00 C ATOM 423 CD LYS A 27 48.610 42.000 19.443 1.00 0.00 C ATOM 424 CE LYS A 27 48.150 40.670 18.855 1.00 0.00 C ATOM 425 NZ LYS A 27 49.261 39.705 18.894 1.00 0.00 N ATOM 0 H LYS A 27 45.225 44.006 17.918 1.00 0.00 H new ATOM 0 HA LYS A 27 47.444 45.698 18.371 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.115 42.934 17.159 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.679 43.688 17.391 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.973 44.007 19.866 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.661 42.899 19.517 1.00 0.00 H new ATOM 0 HD2 LYS A 27 49.583 42.247 19.017 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.755 41.871 20.516 1.00 0.00 H new ATOM 0 HE2 LYS A 27 47.300 40.285 19.419 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.813 40.811 17.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.034 38.890 18.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 50.129 40.161 18.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.406 39.382 19.872 1.00 0.00 H new ATOM 439 N ALA A 28 46.544 45.467 15.238 1.00 0.00 N ATOM 440 CA ALA A 28 46.677 46.135 13.959 1.00 0.00 C ATOM 441 C ALA A 28 46.362 47.630 14.037 1.00 0.00 C ATOM 442 O ALA A 28 46.979 48.419 13.324 1.00 0.00 O ATOM 443 CB ALA A 28 45.792 45.417 12.944 1.00 0.00 C ATOM 0 H ALA A 28 45.764 44.811 15.271 1.00 0.00 H new ATOM 0 HA ALA A 28 47.718 46.081 13.640 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.880 45.907 11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.109 44.378 12.856 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.754 45.453 13.276 1.00 0.00 H new ATOM 449 N LYS A 29 45.478 48.050 14.937 1.00 0.00 N ATOM 450 CA LYS A 29 45.219 49.440 15.250 1.00 0.00 C ATOM 451 C LYS A 29 46.364 50.083 16.034 1.00 0.00 C ATOM 452 O LYS A 29 46.706 51.222 15.724 1.00 0.00 O ATOM 453 CB LYS A 29 43.885 49.575 15.979 1.00 0.00 C ATOM 454 CG LYS A 29 42.698 49.414 15.033 1.00 0.00 C ATOM 455 CD LYS A 29 41.359 49.371 15.764 1.00 0.00 C ATOM 456 CE LYS A 29 40.246 49.326 14.720 1.00 0.00 C ATOM 457 NZ LYS A 29 38.909 49.192 15.318 1.00 0.00 N ATOM 0 H LYS A 29 44.906 47.406 15.483 1.00 0.00 H new ATOM 0 HA LYS A 29 45.154 49.988 14.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.825 48.824 16.767 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.833 50.550 16.463 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.692 50.240 14.322 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.821 48.497 14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.308 48.496 16.412 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.246 50.247 16.402 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.281 50.235 14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.422 48.490 14.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.186 49.435 14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.767 48.212 15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.827 49.834 16.132 1.00 0.00 H new ATOM 471 N ILE A 30 46.993 49.377 16.971 1.00 0.00 N ATOM 472 CA ILE A 30 48.200 49.817 17.641 1.00 0.00 C ATOM 473 C ILE A 30 49.339 49.993 16.635 1.00 0.00 C ATOM 474 O ILE A 30 49.997 51.030 16.643 1.00 0.00 O ATOM 475 CB ILE A 30 48.586 48.876 18.778 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.544 48.878 19.894 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.948 49.241 19.361 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.711 47.732 20.887 1.00 0.00 C ATOM 0 H ILE A 30 46.665 48.464 17.288 1.00 0.00 H new ATOM 0 HA ILE A 30 48.002 50.789 18.093 1.00 0.00 H new ATOM 0 HB ILE A 30 48.636 47.875 18.349 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.601 49.825 20.431 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.549 48.822 19.451 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.194 48.552 20.169 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.707 49.173 18.582 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.917 50.259 19.749 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.937 47.797 21.651 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.624 46.780 20.362 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.692 47.798 21.358 1.00 0.00 H new ATOM 490 N GLN A 31 49.554 49.028 15.745 1.00 0.00 N ATOM 491 CA GLN A 31 50.565 49.056 14.707 1.00 0.00 C ATOM 492 C GLN A 31 50.546 50.351 13.893 1.00 0.00 C ATOM 493 O GLN A 31 51.591 50.970 13.709 1.00 0.00 O ATOM 494 CB GLN A 31 50.355 47.843 13.806 1.00 0.00 C ATOM 495 CG GLN A 31 51.362 47.702 12.667 1.00 0.00 C ATOM 496 CD GLN A 31 51.027 46.529 11.743 1.00 0.00 C ATOM 497 OE1 GLN A 31 49.883 46.102 11.599 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.030 45.942 11.096 1.00 0.00 N ATOM 0 H GLN A 31 49.001 48.171 15.732 1.00 0.00 H new ATOM 0 HA GLN A 31 51.547 49.019 15.178 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.395 46.943 14.419 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.353 47.895 13.380 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.384 48.625 12.087 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.360 47.562 13.082 1.00 0.00 H new ATOM 0 HE21 GLN A 31 52.982 46.289 11.209 1.00 0.00 H new ATOM 0 HE22 GLN A 31 51.847 45.145 10.487 1.00 0.00 H new ATOM 507 N ASP A 32 49.372 50.789 13.442 1.00 0.00 N ATOM 508 CA ASP A 32 49.204 51.997 12.660 1.00 0.00 C ATOM 509 C ASP A 32 49.544 53.291 13.402 1.00 0.00 C ATOM 510 O ASP A 32 49.764 54.317 12.762 1.00 0.00 O ATOM 511 CB ASP A 32 47.770 52.027 12.138 1.00 0.00 C ATOM 512 CG ASP A 32 47.520 53.144 11.123 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.583 53.946 11.328 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.193 53.180 10.071 1.00 0.00 O ATOM 0 H ASP A 32 48.496 50.298 13.618 1.00 0.00 H new ATOM 0 HA ASP A 32 49.924 51.959 11.842 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.538 51.067 11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.087 52.149 12.979 1.00 0.00 H new ATOM 519 N LYS A 33 49.608 53.277 14.731 1.00 0.00 N ATOM 520 CA LYS A 33 50.039 54.396 15.545 1.00 0.00 C ATOM 521 C LYS A 33 51.511 54.274 15.942 1.00 0.00 C ATOM 522 O LYS A 33 52.301 55.179 15.680 1.00 0.00 O ATOM 523 CB LYS A 33 49.155 54.556 16.780 1.00 0.00 C ATOM 524 CG LYS A 33 47.640 54.537 16.593 1.00 0.00 C ATOM 525 CD LYS A 33 47.021 55.665 15.773 1.00 0.00 C ATOM 526 CE LYS A 33 47.173 55.488 14.265 1.00 0.00 C ATOM 527 NZ LYS A 33 46.310 56.409 13.511 1.00 0.00 N ATOM 0 H LYS A 33 49.352 52.458 15.282 1.00 0.00 H new ATOM 0 HA LYS A 33 49.935 55.294 14.936 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.414 53.761 17.479 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.419 55.499 17.258 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.370 53.591 16.123 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.178 54.545 17.580 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.961 55.738 16.015 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.481 56.609 16.066 1.00 0.00 H new ATOM 0 HE2 LYS A 33 48.213 55.654 13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.930 54.460 13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.445 56.255 12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.315 56.234 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.559 57.391 13.749 1.00 0.00 H new ATOM 541 N GLU A 34 51.887 53.154 16.551 1.00 0.00 N ATOM 542 CA GLU A 34 53.136 52.983 17.266 1.00 0.00 C ATOM 543 C GLU A 34 54.264 52.362 16.438 1.00 0.00 C ATOM 544 O GLU A 34 55.417 52.381 16.863 1.00 0.00 O ATOM 545 CB GLU A 34 52.882 52.120 18.498 1.00 0.00 C ATOM 546 CG GLU A 34 51.827 52.658 19.461 1.00 0.00 C ATOM 547 CD GLU A 34 52.125 54.094 19.896 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.179 54.328 20.525 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.340 55.013 19.579 1.00 0.00 O ATOM 0 H GLU A 34 51.307 52.315 16.557 1.00 0.00 H new ATOM 0 HA GLU A 34 53.478 53.983 17.532 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.578 51.126 18.169 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.820 52.003 19.040 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.848 52.620 18.984 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.778 52.016 20.340 1.00 0.00 H new ATOM 556 N GLY A 35 53.954 51.782 15.282 1.00 0.00 N ATOM 557 CA GLY A 35 54.929 51.134 14.428 1.00 0.00 C ATOM 558 C GLY A 35 55.442 49.783 14.930 1.00 0.00 C ATOM 559 O GLY A 35 56.511 49.352 14.503 1.00 0.00 O ATOM 0 H GLY A 35 53.004 51.752 14.912 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.487 50.993 13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.780 51.804 14.303 1.00 0.00 H new ATOM 563 N ILE A 36 54.715 49.135 15.835 1.00 0.00 N ATOM 564 CA ILE A 36 55.026 47.848 16.424 1.00 0.00 C ATOM 565 C ILE A 36 54.188 46.771 15.731 1.00 0.00 C ATOM 566 O ILE A 36 52.968 46.917 15.697 1.00 0.00 O ATOM 567 CB ILE A 36 54.764 47.836 17.928 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.324 49.042 18.675 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.311 46.549 18.541 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.892 49.123 20.137 1.00 0.00 C ATOM 0 H ILE A 36 53.842 49.522 16.194 1.00 0.00 H new ATOM 0 HA ILE A 36 56.088 47.647 16.281 1.00 0.00 H new ATOM 0 HB ILE A 36 53.681 47.889 18.041 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.413 49.011 18.630 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.010 49.951 18.163 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.120 46.548 19.614 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.819 45.690 18.084 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.385 46.489 18.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.332 50.008 20.598 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.805 49.187 20.192 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.230 48.232 20.666 1.00 0.00 H new ATOM 582 N PRO A 37 54.761 45.694 15.203 1.00 0.00 N ATOM 583 CA PRO A 37 54.019 44.682 14.479 1.00 0.00 C ATOM 584 C PRO A 37 53.163 43.802 15.392 1.00 0.00 C ATOM 585 O PRO A 37 53.602 43.475 16.492 1.00 0.00 O ATOM 586 CB PRO A 37 55.066 43.873 13.719 1.00 0.00 C ATOM 587 CG PRO A 37 56.308 43.989 14.597 1.00 0.00 C ATOM 588 CD PRO A 37 56.178 45.392 15.182 1.00 0.00 C ATOM 0 HA PRO A 37 53.298 45.141 13.803 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.758 42.835 13.593 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.240 44.277 12.722 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.326 43.226 15.375 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.225 43.875 14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.600 45.435 16.186 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.721 46.118 14.577 1.00 0.00 H new ATOM 596 N PRO A 38 51.974 43.373 14.978 1.00 0.00 N ATOM 597 CA PRO A 38 51.077 42.588 15.802 1.00 0.00 C ATOM 598 C PRO A 38 51.647 41.274 16.340 1.00 0.00 C ATOM 599 O PRO A 38 51.320 40.910 17.468 1.00 0.00 O ATOM 600 CB PRO A 38 49.842 42.317 14.948 1.00 0.00 C ATOM 601 CG PRO A 38 49.779 43.562 14.066 1.00 0.00 C ATOM 602 CD PRO A 38 51.257 43.841 13.809 1.00 0.00 C ATOM 0 HA PRO A 38 50.866 43.162 16.704 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.946 41.406 14.359 1.00 0.00 H new ATOM 0 HB3 PRO A 38 48.944 42.203 15.555 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.231 43.380 13.142 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.288 44.395 14.569 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.599 43.325 12.912 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.429 44.905 13.649 1.00 0.00 H new ATOM 610 N ASP A 39 52.520 40.582 15.615 1.00 0.00 N ATOM 611 CA ASP A 39 53.046 39.311 16.070 1.00 0.00 C ATOM 612 C ASP A 39 54.049 39.418 17.220 1.00 0.00 C ATOM 613 O ASP A 39 54.366 38.413 17.853 1.00 0.00 O ATOM 614 CB ASP A 39 53.577 38.498 14.892 1.00 0.00 C ATOM 615 CG ASP A 39 54.971 38.910 14.412 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.080 39.750 13.492 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.962 38.331 14.907 1.00 0.00 O ATOM 0 H ASP A 39 52.876 40.886 14.708 1.00 0.00 H new ATOM 0 HA ASP A 39 52.208 38.768 16.507 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.600 37.446 15.175 1.00 0.00 H new ATOM 0 HB3 ASP A 39 52.879 38.589 14.060 1.00 0.00 H new ATOM 622 N GLN A 40 54.522 40.617 17.552 1.00 0.00 N ATOM 623 CA GLN A 40 55.536 40.874 18.555 1.00 0.00 C ATOM 624 C GLN A 40 54.977 41.408 19.875 1.00 0.00 C ATOM 625 O GLN A 40 55.725 41.859 20.738 1.00 0.00 O ATOM 626 CB GLN A 40 56.587 41.785 17.928 1.00 0.00 C ATOM 627 CG GLN A 40 57.950 41.705 18.610 1.00 0.00 C ATOM 628 CD GLN A 40 59.011 42.615 17.988 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.841 43.250 16.948 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.187 42.704 18.602 1.00 0.00 N ATOM 0 H GLN A 40 54.189 41.471 17.105 1.00 0.00 H new ATOM 0 HA GLN A 40 55.997 39.931 18.849 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.701 41.524 16.876 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.232 42.815 17.965 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.834 41.965 19.662 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.303 40.674 18.574 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.352 42.187 19.466 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.924 43.289 18.209 1.00 0.00 H new ATOM 639 N GLN A 41 53.659 41.392 20.059 1.00 0.00 N ATOM 640 CA GLN A 41 53.003 41.958 21.221 1.00 0.00 C ATOM 641 C GLN A 41 51.776 41.162 21.670 1.00 0.00 C ATOM 642 O GLN A 41 51.104 40.521 20.865 1.00 0.00 O ATOM 643 CB GLN A 41 52.707 43.433 20.966 1.00 0.00 C ATOM 644 CG GLN A 41 51.583 43.658 19.959 1.00 0.00 C ATOM 645 CD GLN A 41 51.534 45.061 19.350 1.00 0.00 C ATOM 646 OE1 GLN A 41 50.863 45.964 19.848 1.00 0.00 O ATOM 647 NE2 GLN A 41 52.188 45.275 18.212 1.00 0.00 N ATOM 0 H GLN A 41 53.011 40.977 19.390 1.00 0.00 H new ATOM 0 HA GLN A 41 53.685 41.888 22.068 1.00 0.00 H new ATOM 0 HB2 GLN A 41 52.442 43.911 21.909 1.00 0.00 H new ATOM 0 HB3 GLN A 41 53.612 43.921 20.605 1.00 0.00 H new ATOM 0 HG2 GLN A 41 51.686 42.931 19.153 1.00 0.00 H new ATOM 0 HG3 GLN A 41 50.630 43.457 20.449 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.745 44.529 17.796 1.00 0.00 H new ATOM 0 HE22 GLN A 41 52.132 46.185 17.755 1.00 0.00 H new ATOM 656 N ARG A 42 51.470 41.221 22.963 1.00 0.00 N ATOM 657 CA ARG A 42 50.369 40.560 23.634 1.00 0.00 C ATOM 658 C ARG A 42 49.560 41.580 24.437 1.00 0.00 C ATOM 659 O ARG A 42 50.126 42.540 24.955 1.00 0.00 O ATOM 660 CB ARG A 42 50.903 39.458 24.545 1.00 0.00 C ATOM 661 CG ARG A 42 51.541 38.276 23.820 1.00 0.00 C ATOM 662 CD ARG A 42 50.546 37.247 23.291 1.00 0.00 C ATOM 663 NE ARG A 42 49.973 36.438 24.368 1.00 0.00 N ATOM 664 CZ ARG A 42 49.145 35.393 24.231 1.00 0.00 C ATOM 665 NH1 ARG A 42 48.670 34.986 23.047 1.00 0.00 N ATOM 666 NH2 ARG A 42 48.743 34.705 25.309 1.00 0.00 N ATOM 0 H ARG A 42 52.030 41.774 23.611 1.00 0.00 H new ATOM 0 HA ARG A 42 49.713 40.107 22.890 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.640 39.891 25.221 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.084 39.088 25.161 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.132 38.654 22.986 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.232 37.778 24.501 1.00 0.00 H new ATOM 0 HD2 ARG A 42 49.746 37.758 22.755 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.045 36.595 22.573 1.00 0.00 H new ATOM 0 HE ARG A 42 50.230 36.696 25.321 1.00 0.00 H new ATOM 0 HH11 ARG A 42 48.936 35.478 22.194 1.00 0.00 H new ATOM 0 HH12 ARG A 42 48.042 34.184 22.998 1.00 0.00 H new ATOM 0 HH21 ARG A 42 49.067 34.976 26.237 1.00 0.00 H new ATOM 0 HH22 ARG A 42 48.113 33.910 25.201 1.00 0.00 H new ATOM 680 N LEU A 43 48.255 41.362 24.564 1.00 0.00 N ATOM 681 CA LEU A 43 47.348 42.217 25.303 1.00 0.00 C ATOM 682 C LEU A 43 46.764 41.506 26.526 1.00 0.00 C ATOM 683 O LEU A 43 46.511 40.303 26.493 1.00 0.00 O ATOM 684 CB LEU A 43 46.255 42.738 24.375 1.00 0.00 C ATOM 685 CG LEU A 43 46.716 43.803 23.384 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.645 44.033 22.322 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.976 45.143 24.066 1.00 0.00 C ATOM 0 H LEU A 43 47.790 40.559 24.140 1.00 0.00 H new ATOM 0 HA LEU A 43 47.912 43.068 25.684 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.839 41.898 23.818 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.448 43.150 24.981 1.00 0.00 H new ATOM 0 HG LEU A 43 47.641 43.436 22.940 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.986 44.795 21.621 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.459 43.103 21.785 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.724 44.366 22.800 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.302 45.872 23.324 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.060 45.494 24.541 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.752 45.022 24.821 1.00 0.00 H new ATOM 699 N ILE A 44 46.546 42.270 27.592 1.00 0.00 N ATOM 700 CA ILE A 44 45.995 41.842 28.862 1.00 0.00 C ATOM 701 C ILE A 44 44.786 42.696 29.242 1.00 0.00 C ATOM 702 O ILE A 44 44.810 43.916 29.089 1.00 0.00 O ATOM 703 CB ILE A 44 47.078 41.839 29.937 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.066 40.701 29.694 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.517 41.750 31.354 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.323 40.744 30.558 1.00 0.00 C ATOM 0 H ILE A 44 46.765 43.266 27.586 1.00 0.00 H new ATOM 0 HA ILE A 44 45.636 40.817 28.770 1.00 0.00 H new ATOM 0 HB ILE A 44 47.592 42.797 29.860 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.556 39.754 29.868 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.363 40.715 28.645 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.338 41.752 32.071 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.868 42.605 31.543 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.944 40.829 31.461 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.962 39.896 30.313 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.863 41.672 30.369 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.043 40.695 31.610 1.00 0.00 H new ATOM 718 N PHE A 45 43.746 42.068 29.783 1.00 0.00 N ATOM 719 CA PHE A 45 42.590 42.710 30.376 1.00 0.00 C ATOM 720 C PHE A 45 42.082 41.946 31.600 1.00 0.00 C ATOM 721 O PHE A 45 41.899 40.732 31.531 1.00 0.00 O ATOM 722 CB PHE A 45 41.477 42.813 29.338 1.00 0.00 C ATOM 723 CG PHE A 45 40.212 43.442 29.874 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.160 44.819 30.118 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.114 42.636 30.195 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.016 45.391 30.689 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.960 43.210 30.744 1.00 0.00 C ATOM 728 CZ PHE A 45 37.913 44.586 30.999 1.00 0.00 C ATOM 0 H PHE A 45 43.689 41.050 29.819 1.00 0.00 H new ATOM 0 HA PHE A 45 42.890 43.705 30.705 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.834 43.398 28.491 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.247 41.816 28.963 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.005 45.443 29.865 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.156 41.571 30.019 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.985 46.452 30.890 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.105 42.590 30.971 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.028 45.026 31.434 1.00 0.00 H new ATOM 738 N ALA A 46 41.815 42.636 32.705 1.00 0.00 N ATOM 739 CA ALA A 46 41.209 42.094 33.904 1.00 0.00 C ATOM 740 C ALA A 46 41.831 40.787 34.399 1.00 0.00 C ATOM 741 O ALA A 46 41.134 39.876 34.842 1.00 0.00 O ATOM 742 CB ALA A 46 39.697 42.035 33.705 1.00 0.00 C ATOM 0 H ALA A 46 42.026 43.630 32.787 1.00 0.00 H new ATOM 0 HA ALA A 46 41.425 42.770 34.731 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.228 41.628 34.601 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.315 43.039 33.519 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.467 41.396 32.853 1.00 0.00 H new ATOM 748 N GLY A 47 43.154 40.670 34.310 1.00 0.00 N ATOM 749 CA GLY A 47 43.936 39.500 34.654 1.00 0.00 C ATOM 750 C GLY A 47 44.154 38.486 33.531 1.00 0.00 C ATOM 751 O GLY A 47 45.140 37.753 33.571 1.00 0.00 O ATOM 0 H GLY A 47 43.736 41.438 33.976 1.00 0.00 H new ATOM 0 HA2 GLY A 47 44.911 39.831 35.012 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.447 38.992 35.485 1.00 0.00 H new ATOM 755 N LYS A 48 43.315 38.465 32.498 1.00 0.00 N ATOM 756 CA LYS A 48 43.406 37.567 31.364 1.00 0.00 C ATOM 757 C LYS A 48 44.431 38.062 30.342 1.00 0.00 C ATOM 758 O LYS A 48 44.400 39.235 29.979 1.00 0.00 O ATOM 759 CB LYS A 48 42.048 37.430 30.682 1.00 0.00 C ATOM 760 CG LYS A 48 40.883 36.940 31.538 1.00 0.00 C ATOM 761 CD LYS A 48 41.017 35.485 31.977 1.00 0.00 C ATOM 762 CE LYS A 48 39.794 34.950 32.716 1.00 0.00 C ATOM 763 NZ LYS A 48 38.651 34.687 31.828 1.00 0.00 N ATOM 0 H LYS A 48 42.522 39.103 32.432 1.00 0.00 H new ATOM 0 HA LYS A 48 43.728 36.597 31.742 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.778 38.402 30.269 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.160 36.746 29.841 1.00 0.00 H new ATOM 0 HG2 LYS A 48 40.802 37.572 32.423 1.00 0.00 H new ATOM 0 HG3 LYS A 48 39.956 37.058 30.977 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.199 34.866 31.099 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.891 35.389 32.622 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.064 34.029 33.233 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.495 35.669 33.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.852 34.326 32.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.370 35.569 31.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.921 33.980 31.115 1.00 0.00 H new ATOM 777 N GLN A 49 45.275 37.181 29.813 1.00 0.00 N ATOM 778 CA GLN A 49 45.901 37.382 28.522 1.00 0.00 C ATOM 779 C GLN A 49 44.885 37.110 27.411 1.00 0.00 C ATOM 780 O GLN A 49 43.974 36.304 27.591 1.00 0.00 O ATOM 781 CB GLN A 49 47.139 36.504 28.357 1.00 0.00 C ATOM 782 CG GLN A 49 48.427 37.180 28.816 1.00 0.00 C ATOM 783 CD GLN A 49 49.666 36.388 28.389 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.008 36.340 27.210 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.373 35.719 29.294 1.00 0.00 N ATOM 0 H GLN A 49 45.540 36.310 30.272 1.00 0.00 H new ATOM 0 HA GLN A 49 46.233 38.418 28.456 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.000 35.583 28.922 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.239 36.223 27.309 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.478 38.187 28.401 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.417 37.283 29.901 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.102 35.749 30.277 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.187 35.176 29.006 1.00 0.00 H new ATOM 794 N LEU A 50 45.038 37.761 26.263 1.00 0.00 N ATOM 795 CA LEU A 50 44.071 37.739 25.183 1.00 0.00 C ATOM 796 C LEU A 50 44.672 37.161 23.901 1.00 0.00 C ATOM 797 O LEU A 50 45.737 37.588 23.463 1.00 0.00 O ATOM 798 CB LEU A 50 43.524 39.150 24.983 1.00 0.00 C ATOM 799 CG LEU A 50 43.044 39.887 26.229 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.613 41.300 25.845 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.864 39.210 26.921 1.00 0.00 C ATOM 0 H LEU A 50 45.859 38.331 26.057 1.00 0.00 H new ATOM 0 HA LEU A 50 43.245 37.078 25.447 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.301 39.751 24.511 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.693 39.095 24.280 1.00 0.00 H new ATOM 0 HG LEU A 50 43.883 39.888 26.925 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.269 41.830 26.733 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.458 41.833 25.409 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.803 41.248 25.117 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.576 39.789 27.799 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.022 39.153 26.232 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.150 38.204 27.228 1.00 0.00 H new ATOM 813 N GLU A 51 43.995 36.194 23.287 1.00 0.00 N ATOM 814 CA GLU A 51 44.449 35.477 22.113 1.00 0.00 C ATOM 815 C GLU A 51 43.937 36.094 20.810 1.00 0.00 C ATOM 816 O GLU A 51 42.740 36.322 20.640 1.00 0.00 O ATOM 817 CB GLU A 51 44.059 34.004 22.194 1.00 0.00 C ATOM 818 CG GLU A 51 44.615 33.220 23.380 1.00 0.00 C ATOM 819 CD GLU A 51 46.133 33.026 23.360 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.749 32.937 22.277 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.753 32.959 24.443 1.00 0.00 O ATOM 0 H GLU A 51 43.080 35.881 23.612 1.00 0.00 H new ATOM 0 HA GLU A 51 45.536 35.558 22.099 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.971 33.939 22.221 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.385 33.513 21.277 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.340 33.735 24.300 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.137 32.241 23.408 1.00 0.00 H new ATOM 828 N ASP A 52 44.844 36.316 19.863 1.00 0.00 N ATOM 829 CA ASP A 52 44.649 36.929 18.564 1.00 0.00 C ATOM 830 C ASP A 52 43.431 36.464 17.765 1.00 0.00 C ATOM 831 O ASP A 52 42.857 37.252 17.016 1.00 0.00 O ATOM 832 CB ASP A 52 45.906 36.698 17.730 1.00 0.00 C ATOM 833 CG ASP A 52 47.155 37.395 18.272 1.00 0.00 C ATOM 834 OD1 ASP A 52 48.114 37.583 17.493 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.225 37.759 19.466 1.00 0.00 O ATOM 0 H ASP A 52 45.818 36.046 20.003 1.00 0.00 H new ATOM 0 HA ASP A 52 44.455 37.981 18.771 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.098 35.627 17.672 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.723 37.045 16.713 1.00 0.00 H new ATOM 840 N GLY A 53 43.034 35.201 17.896 1.00 0.00 N ATOM 841 CA GLY A 53 41.927 34.584 17.195 1.00 0.00 C ATOM 842 C GLY A 53 40.534 34.810 17.786 1.00 0.00 C ATOM 843 O GLY A 53 39.588 34.221 17.268 1.00 0.00 O ATOM 0 H GLY A 53 43.504 34.553 18.528 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.926 34.951 16.169 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.108 33.510 17.149 1.00 0.00 H new ATOM 847 N ARG A 54 40.374 35.592 18.849 1.00 0.00 N ATOM 848 CA ARG A 54 39.105 35.877 19.490 1.00 0.00 C ATOM 849 C ARG A 54 38.700 37.351 19.427 1.00 0.00 C ATOM 850 O ARG A 54 39.526 38.216 19.145 1.00 0.00 O ATOM 851 CB ARG A 54 39.137 35.365 20.927 1.00 0.00 C ATOM 852 CG ARG A 54 39.046 33.849 21.075 1.00 0.00 C ATOM 853 CD ARG A 54 37.720 33.288 20.571 1.00 0.00 C ATOM 854 NE ARG A 54 37.552 31.892 20.976 1.00 0.00 N ATOM 855 CZ ARG A 54 36.606 31.041 20.555 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.677 31.385 19.653 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.572 29.795 21.047 1.00 0.00 N ATOM 0 H ARG A 54 41.159 36.061 19.302 1.00 0.00 H new ATOM 0 HA ARG A 54 38.333 35.350 18.929 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.059 35.706 21.398 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.312 35.819 21.477 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.865 33.384 20.526 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.174 33.582 22.124 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.896 33.885 20.962 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.679 33.362 19.484 1.00 0.00 H new ATOM 0 HE ARG A 54 38.226 31.528 21.650 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.672 32.326 19.259 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.975 30.706 19.360 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.263 29.500 21.737 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.855 29.142 20.732 1.00 0.00 H new ATOM 871 N THR A 55 37.426 37.621 19.695 1.00 0.00 N ATOM 872 CA THR A 55 36.848 38.949 19.735 1.00 0.00 C ATOM 873 C THR A 55 36.835 39.567 21.135 1.00 0.00 C ATOM 874 O THR A 55 36.909 38.854 22.133 1.00 0.00 O ATOM 875 CB THR A 55 35.441 39.007 19.146 1.00 0.00 C ATOM 876 OG1 THR A 55 34.521 38.339 19.980 1.00 0.00 O ATOM 877 CG2 THR A 55 35.330 38.418 17.744 1.00 0.00 C ATOM 0 H THR A 55 36.746 36.888 19.897 1.00 0.00 H new ATOM 0 HA THR A 55 37.513 39.543 19.108 1.00 0.00 H new ATOM 0 HB THR A 55 35.208 40.070 19.078 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.560 37.376 19.805 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.300 38.497 17.397 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.985 38.966 17.066 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.626 37.369 17.765 1.00 0.00 H new ATOM 885 N LEU A 56 36.660 40.881 21.227 1.00 0.00 N ATOM 886 CA LEU A 56 36.399 41.567 22.477 1.00 0.00 C ATOM 887 C LEU A 56 35.196 40.986 23.222 1.00 0.00 C ATOM 888 O LEU A 56 35.238 40.825 24.440 1.00 0.00 O ATOM 889 CB LEU A 56 36.185 43.055 22.216 1.00 0.00 C ATOM 890 CG LEU A 56 37.450 43.907 22.276 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.436 43.619 21.147 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.065 45.381 22.201 1.00 0.00 C ATOM 0 H LEU A 56 36.697 41.504 20.420 1.00 0.00 H new ATOM 0 HA LEU A 56 37.271 41.424 23.115 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.730 43.175 21.233 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.472 43.438 22.946 1.00 0.00 H new ATOM 0 HG LEU A 56 37.944 43.658 23.215 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.310 44.261 21.255 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.745 42.575 21.192 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.958 43.815 20.187 1.00 0.00 H new ATOM 0 HD21 LEU A 56 37.965 45.995 22.243 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.539 45.573 21.266 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.416 45.631 23.040 1.00 0.00 H new ATOM 904 N SER A 57 34.140 40.625 22.498 1.00 0.00 N ATOM 905 CA SER A 57 32.945 40.026 23.057 1.00 0.00 C ATOM 906 C SER A 57 33.181 38.654 23.692 1.00 0.00 C ATOM 907 O SER A 57 32.551 38.341 24.700 1.00 0.00 O ATOM 908 CB SER A 57 31.837 39.967 22.009 1.00 0.00 C ATOM 909 OG SER A 57 32.053 38.966 21.040 1.00 0.00 O ATOM 0 H SER A 57 34.096 40.746 21.486 1.00 0.00 H new ATOM 0 HA SER A 57 32.630 40.675 23.874 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.883 39.786 22.505 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.760 40.935 21.514 1.00 0.00 H new ATOM 0 HG SER A 57 33.004 38.938 20.805 1.00 0.00 H new ATOM 915 N ASP A 58 34.127 37.869 23.187 1.00 0.00 N ATOM 916 CA ASP A 58 34.492 36.576 23.730 1.00 0.00 C ATOM 917 C ASP A 58 35.236 36.665 25.064 1.00 0.00 C ATOM 918 O ASP A 58 35.297 35.680 25.798 1.00 0.00 O ATOM 919 CB ASP A 58 35.337 35.806 22.719 1.00 0.00 C ATOM 920 CG ASP A 58 34.607 35.518 21.406 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.469 35.003 21.446 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.184 35.795 20.333 1.00 0.00 O ATOM 0 H ASP A 58 34.673 38.127 22.365 1.00 0.00 H new ATOM 0 HA ASP A 58 33.559 36.048 23.926 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.242 36.375 22.505 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.652 34.863 23.165 1.00 0.00 H new ATOM 927 N TYR A 59 35.771 37.835 25.401 1.00 0.00 N ATOM 928 CA TYR A 59 36.440 38.143 26.648 1.00 0.00 C ATOM 929 C TYR A 59 35.662 39.111 27.540 1.00 0.00 C ATOM 930 O TYR A 59 36.201 39.566 28.547 1.00 0.00 O ATOM 931 CB TYR A 59 37.852 38.638 26.347 1.00 0.00 C ATOM 932 CG TYR A 59 38.775 37.596 25.761 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.136 36.478 26.523 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.323 37.787 24.487 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.035 35.535 26.008 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.257 36.875 23.982 1.00 0.00 C ATOM 937 CZ TYR A 59 40.603 35.734 24.734 1.00 0.00 C ATOM 938 OH TYR A 59 41.495 34.838 24.223 1.00 0.00 O ATOM 0 H TYR A 59 35.744 38.636 24.770 1.00 0.00 H new ATOM 0 HA TYR A 59 36.496 37.225 27.233 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.788 39.478 25.655 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.293 39.018 27.269 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.720 36.342 27.510 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.025 38.639 23.893 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.292 34.659 26.585 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.712 37.045 23.017 1.00 0.00 H new ATOM 0 HH TYR A 59 41.144 34.468 23.386 1.00 0.00 H new ATOM 948 N ASN A 60 34.405 39.411 27.224 1.00 0.00 N ATOM 949 CA ASN A 60 33.530 40.254 28.013 1.00 0.00 C ATOM 950 C ASN A 60 34.125 41.642 28.260 1.00 0.00 C ATOM 951 O ASN A 60 34.080 42.170 29.369 1.00 0.00 O ATOM 952 CB ASN A 60 33.053 39.522 29.265 1.00 0.00 C ATOM 953 CG ASN A 60 32.355 38.180 29.029 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.789 37.321 28.266 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.278 37.891 29.754 1.00 0.00 N ATOM 0 H ASN A 60 33.957 39.057 26.379 1.00 0.00 H new ATOM 0 HA ASN A 60 32.629 40.458 27.435 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.913 39.353 29.914 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.369 40.175 29.806 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.836 36.976 29.668 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.895 38.584 30.396 1.00 0.00 H new ATOM 962 N ILE A 61 34.733 42.224 27.232 1.00 0.00 N ATOM 963 CA ILE A 61 35.354 43.532 27.248 1.00 0.00 C ATOM 964 C ILE A 61 34.327 44.587 26.831 1.00 0.00 C ATOM 965 O ILE A 61 33.782 44.520 25.733 1.00 0.00 O ATOM 966 CB ILE A 61 36.605 43.564 26.374 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.581 42.468 26.792 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.272 44.935 26.438 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.908 42.410 26.039 1.00 0.00 C ATOM 0 H ILE A 61 34.807 41.769 26.322 1.00 0.00 H new ATOM 0 HA ILE A 61 35.686 43.760 28.261 1.00 0.00 H new ATOM 0 HB ILE A 61 36.306 43.379 25.342 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.797 42.591 27.853 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.082 41.506 26.677 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.162 44.937 25.808 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.576 45.695 26.084 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.556 45.154 27.467 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.512 41.590 26.428 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.718 42.248 24.978 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.443 43.350 26.172 1.00 0.00 H new ATOM 981 N GLN A 62 34.066 45.553 27.707 1.00 0.00 N ATOM 982 CA GLN A 62 33.110 46.626 27.523 1.00 0.00 C ATOM 983 C GLN A 62 33.757 47.922 27.030 1.00 0.00 C ATOM 984 O GLN A 62 34.972 48.019 26.874 1.00 0.00 O ATOM 985 CB GLN A 62 32.369 46.844 28.839 1.00 0.00 C ATOM 986 CG GLN A 62 31.453 45.686 29.222 1.00 0.00 C ATOM 987 CD GLN A 62 30.627 45.971 30.478 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.569 47.082 31.003 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.916 44.971 30.990 1.00 0.00 N ATOM 0 H GLN A 62 34.542 45.606 28.607 1.00 0.00 H new ATOM 0 HA GLN A 62 32.410 46.334 26.740 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.097 46.999 29.635 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.777 47.756 28.766 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.780 45.472 28.392 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.055 44.792 29.384 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.956 44.046 30.563 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.330 45.129 31.810 1.00 0.00 H new ATOM 998 N LYS A 63 32.942 48.957 26.846 1.00 0.00 N ATOM 999 CA LYS A 63 33.365 50.327 26.630 1.00 0.00 C ATOM 1000 C LYS A 63 34.294 50.834 27.734 1.00 0.00 C ATOM 1001 O LYS A 63 34.222 50.389 28.878 1.00 0.00 O ATOM 1002 CB LYS A 63 32.139 51.228 26.511 1.00 0.00 C ATOM 1003 CG LYS A 63 31.396 51.429 27.828 1.00 0.00 C ATOM 1004 CD LYS A 63 30.146 52.288 27.662 1.00 0.00 C ATOM 1005 CE LYS A 63 29.310 52.340 28.938 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.056 52.869 30.090 1.00 0.00 N ATOM 0 H LYS A 63 31.927 48.854 26.844 1.00 0.00 H new ATOM 0 HA LYS A 63 33.936 50.354 25.702 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.449 52.200 26.127 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.454 50.800 25.779 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.115 50.458 28.236 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.063 51.898 28.551 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.437 53.299 27.379 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.540 51.891 26.848 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.431 52.960 28.765 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.952 51.338 29.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.413 52.977 30.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.821 52.210 30.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.462 53.795 29.845 1.00 0.00 H new ATOM 1020 N GLU A 64 35.124 51.822 27.413 1.00 0.00 N ATOM 1021 CA GLU A 64 35.946 52.560 28.351 1.00 0.00 C ATOM 1022 C GLU A 64 36.941 51.700 29.131 1.00 0.00 C ATOM 1023 O GLU A 64 37.407 52.072 30.206 1.00 0.00 O ATOM 1024 CB GLU A 64 35.048 53.442 29.213 1.00 0.00 C ATOM 1025 CG GLU A 64 35.690 54.777 29.578 1.00 0.00 C ATOM 1026 CD GLU A 64 34.676 55.706 30.251 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.842 56.305 29.538 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.707 55.857 31.491 1.00 0.00 O ATOM 0 H GLU A 64 35.243 52.139 26.451 1.00 0.00 H new ATOM 0 HA GLU A 64 36.613 53.212 27.786 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.114 53.628 28.682 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.793 52.906 30.128 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.534 54.608 30.247 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.085 55.253 28.680 1.00 0.00 H new ATOM 1035 N SER A 65 37.270 50.524 28.601 1.00 0.00 N ATOM 1036 CA SER A 65 38.193 49.570 29.181 1.00 0.00 C ATOM 1037 C SER A 65 39.641 50.029 29.001 1.00 0.00 C ATOM 1038 O SER A 65 40.021 50.405 27.894 1.00 0.00 O ATOM 1039 CB SER A 65 38.041 48.207 28.513 1.00 0.00 C ATOM 1040 OG SER A 65 36.772 47.656 28.786 1.00 0.00 O ATOM 0 H SER A 65 36.879 50.202 27.716 1.00 0.00 H new ATOM 0 HA SER A 65 37.960 49.498 30.243 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.175 48.308 27.436 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.820 47.533 28.870 1.00 0.00 H new ATOM 0 HG SER A 65 36.132 47.955 28.106 1.00 0.00 H new ATOM 1046 N THR A 66 40.456 49.915 30.047 1.00 0.00 N ATOM 1047 CA THR A 66 41.901 49.972 29.953 1.00 0.00 C ATOM 1048 C THR A 66 42.471 48.554 29.887 1.00 0.00 C ATOM 1049 O THR A 66 42.141 47.696 30.703 1.00 0.00 O ATOM 1050 CB THR A 66 42.522 50.788 31.083 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.161 52.143 30.936 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.048 50.787 31.056 1.00 0.00 C ATOM 0 H THR A 66 40.117 49.778 30.999 1.00 0.00 H new ATOM 0 HA THR A 66 42.164 50.493 29.032 1.00 0.00 H new ATOM 0 HB THR A 66 42.162 50.333 32.006 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.558 52.668 31.662 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.427 51.385 31.885 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.413 49.764 31.150 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.396 51.211 30.114 1.00 0.00 H new ATOM 1060 N LEU A 67 43.342 48.326 28.908 1.00 0.00 N ATOM 1061 CA LEU A 67 44.106 47.114 28.689 1.00 0.00 C ATOM 1062 C LEU A 67 45.594 47.389 28.908 1.00 0.00 C ATOM 1063 O LEU A 67 46.048 48.516 28.722 1.00 0.00 O ATOM 1064 CB LEU A 67 43.865 46.592 27.275 1.00 0.00 C ATOM 1065 CG LEU A 67 42.484 45.988 27.041 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.423 47.006 26.628 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.562 44.946 25.930 1.00 0.00 C ATOM 0 H LEU A 67 43.542 49.035 28.202 1.00 0.00 H new ATOM 0 HA LEU A 67 43.781 46.355 29.401 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.012 47.411 26.571 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.619 45.838 27.048 1.00 0.00 H new ATOM 0 HG LEU A 67 42.188 45.559 27.998 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.470 46.499 26.481 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.317 47.758 27.410 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.724 47.489 25.698 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.574 44.516 25.765 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.910 45.419 25.012 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.257 44.158 26.219 1.00 0.00 H new ATOM 1079 N HIS A 68 46.368 46.358 29.235 1.00 0.00 N ATOM 1080 CA HIS A 68 47.807 46.431 29.395 1.00 0.00 C ATOM 1081 C HIS A 68 48.527 45.760 28.224 1.00 0.00 C ATOM 1082 O HIS A 68 48.059 44.750 27.704 1.00 0.00 O ATOM 1083 CB HIS A 68 48.188 45.812 30.738 1.00 0.00 C ATOM 1084 CG HIS A 68 47.652 46.554 31.931 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.783 46.027 32.885 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.967 47.841 32.285 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.591 46.992 33.787 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.280 48.096 33.455 1.00 0.00 N ATOM 0 H HIS A 68 45.995 45.423 29.400 1.00 0.00 H new ATOM 0 HA HIS A 68 48.125 47.474 29.391 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.824 44.785 30.769 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.275 45.767 30.810 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.621 48.518 31.755 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.967 46.898 34.664 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.293 48.972 33.977 1.00 0.00 H new ATOM 1096 N LEU A 69 49.667 46.315 27.822 1.00 0.00 N ATOM 1097 CA LEU A 69 50.476 45.842 26.716 1.00 0.00 C ATOM 1098 C LEU A 69 51.753 45.146 27.189 1.00 0.00 C ATOM 1099 O LEU A 69 52.421 45.633 28.098 1.00 0.00 O ATOM 1100 CB LEU A 69 50.779 47.032 25.810 1.00 0.00 C ATOM 1101 CG LEU A 69 51.452 46.707 24.480 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.536 45.919 23.546 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.831 48.000 23.764 1.00 0.00 C ATOM 0 H LEU A 69 50.063 47.137 28.278 1.00 0.00 H new ATOM 0 HA LEU A 69 49.923 45.085 26.160 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.844 47.553 25.603 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.417 47.726 26.357 1.00 0.00 H new ATOM 0 HG LEU A 69 52.330 46.104 24.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.059 45.712 22.613 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.254 44.979 24.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.640 46.503 23.337 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.311 47.763 22.815 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.933 48.590 23.579 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.519 48.572 24.386 1.00 0.00 H new ATOM 1115 N VAL A 70 52.123 44.049 26.534 1.00 0.00 N ATOM 1116 CA VAL A 70 53.370 43.335 26.724 1.00 0.00 C ATOM 1117 C VAL A 70 54.056 43.144 25.369 1.00 0.00 C ATOM 1118 O VAL A 70 53.413 42.725 24.409 1.00 0.00 O ATOM 1119 CB VAL A 70 53.130 41.996 27.414 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.420 41.207 27.616 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.482 42.176 28.784 1.00 0.00 C ATOM 0 H VAL A 70 51.530 43.618 25.825 1.00 0.00 H new ATOM 0 HA VAL A 70 54.023 43.920 27.371 1.00 0.00 H new ATOM 0 HB VAL A 70 52.465 41.445 26.749 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.195 40.262 28.111 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.881 41.009 26.648 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.107 41.785 28.234 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.327 41.200 29.244 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.133 42.777 29.418 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.522 42.680 28.669 1.00 0.00 H new ATOM 1131 N LEU A 71 55.352 43.428 25.286 1.00 0.00 N ATOM 1132 CA LEU A 71 56.159 43.335 24.085 1.00 0.00 C ATOM 1133 C LEU A 71 57.182 42.202 24.173 1.00 0.00 C ATOM 1134 O LEU A 71 57.761 41.973 25.233 1.00 0.00 O ATOM 1135 CB LEU A 71 56.859 44.665 23.814 1.00 0.00 C ATOM 1136 CG LEU A 71 55.965 45.897 23.713 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.818 47.113 23.362 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.885 45.747 22.646 1.00 0.00 C ATOM 0 H LEU A 71 55.888 43.743 26.094 1.00 0.00 H new ATOM 0 HA LEU A 71 55.490 43.108 23.255 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.586 44.836 24.608 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.419 44.572 22.883 1.00 0.00 H new ATOM 0 HG LEU A 71 55.476 46.019 24.679 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.182 47.995 23.289 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.567 47.269 24.139 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.316 46.945 22.407 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.276 46.651 22.615 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.353 45.591 21.674 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.253 44.892 22.886 1.00 0.00 H new ATOM 1150 N ARG A 72 57.435 41.516 23.062 1.00 0.00 N ATOM 1151 CA ARG A 72 58.398 40.442 22.925 1.00 0.00 C ATOM 1152 C ARG A 72 59.693 40.946 22.287 1.00 0.00 C ATOM 1153 O ARG A 72 59.868 40.870 21.073 1.00 0.00 O ATOM 1154 CB ARG A 72 57.779 39.277 22.156 1.00 0.00 C ATOM 1155 CG ARG A 72 56.492 38.692 22.727 1.00 0.00 C ATOM 1156 CD ARG A 72 56.604 38.313 24.201 1.00 0.00 C ATOM 1157 NE ARG A 72 55.430 37.583 24.681 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.034 37.464 25.956 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.647 38.078 26.977 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.975 36.710 26.282 1.00 0.00 N ATOM 0 H ARG A 72 56.944 41.710 22.189 1.00 0.00 H new ATOM 0 HA ARG A 72 58.665 40.073 23.915 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.580 39.608 21.137 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.518 38.478 22.093 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.686 39.416 22.605 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.216 37.808 22.152 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.494 37.702 24.349 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.735 39.216 24.797 1.00 0.00 H new ATOM 0 HE ARG A 72 54.857 37.119 23.976 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.458 38.671 26.802 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.303 37.952 27.929 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.457 36.216 25.555 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.687 36.630 27.257 1.00 0.00 H new ATOM 1174 N LEU A 73 60.570 41.527 23.101 1.00 0.00 N ATOM 1175 CA LEU A 73 61.765 42.221 22.664 1.00 0.00 C ATOM 1176 C LEU A 73 63.039 41.430 22.965 1.00 0.00 C ATOM 1177 O LEU A 73 63.187 40.838 24.032 1.00 0.00 O ATOM 1178 CB LEU A 73 61.840 43.604 23.305 1.00 0.00 C ATOM 1179 CG LEU A 73 60.625 44.510 23.127 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.892 45.852 23.801 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.283 44.764 21.662 1.00 0.00 C ATOM 0 H LEU A 73 60.459 41.524 24.115 1.00 0.00 H new ATOM 0 HA LEU A 73 61.697 42.327 21.581 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.014 43.475 24.373 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.711 44.120 22.900 1.00 0.00 H new ATOM 0 HG LEU A 73 59.778 43.997 23.582 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.025 46.501 23.675 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.077 45.695 24.864 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.765 46.320 23.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 59.411 45.415 21.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.129 45.243 21.169 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.065 43.816 21.170 1.00 0.00 H new ATOM 1193 N ARG A 74 63.993 41.490 22.041 1.00 0.00 N ATOM 1194 CA ARG A 74 65.353 41.019 22.212 1.00 0.00 C ATOM 1195 C ARG A 74 66.145 41.866 23.209 1.00 0.00 C ATOM 1196 O ARG A 74 65.872 43.050 23.394 1.00 0.00 O ATOM 1197 CB ARG A 74 66.041 40.970 20.850 1.00 0.00 C ATOM 1198 CG ARG A 74 65.518 39.818 19.998 1.00 0.00 C ATOM 1199 CD ARG A 74 65.962 39.939 18.543 1.00 0.00 C ATOM 1200 NE ARG A 74 65.661 38.707 17.813 1.00 0.00 N ATOM 1201 CZ ARG A 74 66.213 38.293 16.664 1.00 0.00 C ATOM 1202 NH1 ARG A 74 67.093 39.032 15.975 1.00 0.00 N ATOM 1203 NH2 ARG A 74 65.904 37.084 16.175 1.00 0.00 N ATOM 0 H ARG A 74 63.827 41.886 21.116 1.00 0.00 H new ATOM 0 HA ARG A 74 65.317 40.016 22.636 1.00 0.00 H new ATOM 0 HB2 ARG A 74 65.881 41.913 20.327 1.00 0.00 H new ATOM 0 HB3 ARG A 74 67.117 40.862 20.989 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.873 38.873 20.408 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.429 39.797 20.045 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.457 40.782 18.071 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.032 40.143 18.498 1.00 0.00 H new ATOM 0 HE ARG A 74 64.954 38.097 18.223 1.00 0.00 H new ATOM 0 HH11 ARG A 74 67.369 39.951 16.321 1.00 0.00 H new ATOM 0 HH12 ARG A 74 67.487 38.675 15.105 1.00 0.00 H new ATOM 0 HH21 ARG A 74 65.251 36.483 16.677 1.00 0.00 H new ATOM 0 HH22 ARG A 74 66.322 36.765 15.301 1.00 0.00 H new ATOM 1217 N GLY A 75 67.131 41.241 23.847 1.00 0.00 N ATOM 1218 CA GLY A 75 68.115 41.860 24.713 1.00 0.00 C ATOM 1219 C GLY A 75 69.342 42.397 23.975 1.00 0.00 C ATOM 1220 O GLY A 75 69.510 42.179 22.777 1.00 0.00 O ATOM 0 H GLY A 75 67.267 40.233 23.765 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.643 42.679 25.256 1.00 0.00 H new ATOM 0 HA3 GLY A 75 68.440 41.131 25.456 1.00 0.00 H new ATOM 1224 N GLY A 76 70.204 43.094 24.712 1.00 0.00 N ATOM 1225 CA GLY A 76 71.398 43.749 24.218 1.00 0.00 C ATOM 1226 C GLY A 76 72.317 44.309 25.306 1.00 0.00 C ATOM 1227 O GLY A 76 72.122 43.975 26.494 1.00 0.00 O ATOM 1228 OXT GLY A 76 73.250 45.061 24.949 1.00 0.00 O ATOM 0 H GLY A 76 70.077 43.219 25.716 1.00 0.00 H new ATOM 0 HA2 GLY A 76 71.963 43.038 23.615 1.00 0.00 H new ATOM 0 HA3 GLY A 76 71.102 44.563 23.557 1.00 0.00 H new TER 1232 GLY A 76