USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 7 THR OG1 : rot 151:sc= 1.33 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.21 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 1.23 K(o=1.2,f=-0.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.463 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.397 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 2.36 (180deg=1.97) USER MOD Single : A 31 GLN : amide:sc= -0.025 K(o=-0.025,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ 143:sc= 1.19 (180deg=0.406) USER MOD Single : A 40 GLN : amide:sc= 0.431 X(o=0.43,f=-0.0089) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.01 K(o=1,f=-3.7!) USER MOD Single : A 55 THR OG1 : rot -74:sc= 1.28 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.375 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.706) USER MOD Single : A 65 SER OG : rot 78:sc= 1.32 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 32.508 51.855 19.896 1.00 0.00 N ATOM 2 CA MET A 1 32.956 52.208 21.252 1.00 0.00 C ATOM 3 C MET A 1 34.447 52.549 21.259 1.00 0.00 C ATOM 4 O MET A 1 35.144 52.230 20.297 1.00 0.00 O ATOM 5 CB MET A 1 32.596 51.136 22.276 1.00 0.00 C ATOM 6 CG MET A 1 33.345 49.818 22.107 1.00 0.00 C ATOM 7 SD MET A 1 32.925 48.578 23.357 1.00 0.00 S ATOM 8 CE MET A 1 34.032 47.239 22.851 1.00 0.00 C ATOM 0 H1 MET A 1 31.565 51.419 19.944 1.00 0.00 H new ATOM 0 H2 MET A 1 32.463 52.714 19.311 1.00 0.00 H new ATOM 0 H3 MET A 1 33.179 51.182 19.473 1.00 0.00 H new ATOM 0 HA MET A 1 32.416 53.104 21.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.794 51.525 23.275 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.525 50.940 22.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.130 49.412 21.119 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.417 50.012 22.146 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.903 46.388 23.520 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.796 46.938 21.830 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.065 47.584 22.898 1.00 0.00 H new ATOM 20 N GLN A 2 34.962 53.131 22.337 1.00 0.00 N ATOM 21 CA GLN A 2 36.380 53.330 22.562 1.00 0.00 C ATOM 22 C GLN A 2 36.876 52.552 23.782 1.00 0.00 C ATOM 23 O GLN A 2 36.148 52.392 24.760 1.00 0.00 O ATOM 24 CB GLN A 2 36.711 54.812 22.698 1.00 0.00 C ATOM 25 CG GLN A 2 36.578 55.568 21.379 1.00 0.00 C ATOM 26 CD GLN A 2 36.960 57.047 21.475 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.302 57.593 22.522 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.869 57.779 20.369 1.00 0.00 N ATOM 0 H GLN A 2 34.383 53.486 23.098 1.00 0.00 H new ATOM 0 HA GLN A 2 36.902 52.940 21.688 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.049 55.262 23.438 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.729 54.920 23.073 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.208 55.087 20.630 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.549 55.490 21.028 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.587 57.343 19.491 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.081 58.776 20.399 1.00 0.00 H new ATOM 37 N ILE A 3 38.130 52.113 23.732 1.00 0.00 N ATOM 38 CA ILE A 3 38.862 51.572 24.860 1.00 0.00 C ATOM 39 C ILE A 3 40.283 52.139 24.906 1.00 0.00 C ATOM 40 O ILE A 3 40.818 52.583 23.893 1.00 0.00 O ATOM 41 CB ILE A 3 38.865 50.047 24.931 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.874 49.327 24.041 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.472 49.442 24.787 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.696 49.540 22.541 1.00 0.00 C ATOM 0 H ILE A 3 38.679 52.127 22.872 1.00 0.00 H new ATOM 0 HA ILE A 3 38.322 51.896 25.750 1.00 0.00 H new ATOM 0 HB ILE A 3 39.221 49.864 25.945 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.876 49.653 24.320 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.817 48.258 24.248 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.539 48.356 24.846 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.831 49.810 25.588 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.049 49.728 23.824 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.463 48.985 22.001 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.711 49.186 22.238 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.786 50.602 22.311 1.00 0.00 H new ATOM 56 N PHE A 4 40.907 52.079 26.079 1.00 0.00 N ATOM 57 CA PHE A 4 42.256 52.559 26.304 1.00 0.00 C ATOM 58 C PHE A 4 43.257 51.405 26.389 1.00 0.00 C ATOM 59 O PHE A 4 42.916 50.289 26.776 1.00 0.00 O ATOM 60 CB PHE A 4 42.287 53.437 27.551 1.00 0.00 C ATOM 61 CG PHE A 4 41.281 54.563 27.530 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.574 55.743 26.835 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.045 54.417 28.171 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.630 56.776 26.778 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.102 55.450 28.113 1.00 0.00 C ATOM 66 CZ PHE A 4 39.389 56.627 27.411 1.00 0.00 C ATOM 0 H PHE A 4 40.474 51.685 26.915 1.00 0.00 H new ATOM 0 HA PHE A 4 42.560 53.165 25.451 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.103 52.815 28.427 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.286 53.857 27.663 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.529 55.856 26.343 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.819 53.509 28.710 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.859 57.688 26.246 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.150 55.339 28.611 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.656 57.418 27.358 1.00 0.00 H new ATOM 76 N VAL A 5 44.517 51.673 26.055 1.00 0.00 N ATOM 77 CA VAL A 5 45.628 50.754 26.201 1.00 0.00 C ATOM 78 C VAL A 5 46.815 51.512 26.798 1.00 0.00 C ATOM 79 O VAL A 5 47.105 52.622 26.356 1.00 0.00 O ATOM 80 CB VAL A 5 45.994 50.094 24.875 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.041 49.004 25.082 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.799 49.444 24.184 1.00 0.00 C ATOM 0 H VAL A 5 44.796 52.572 25.661 1.00 0.00 H new ATOM 0 HA VAL A 5 45.339 49.946 26.873 1.00 0.00 H new ATOM 0 HB VAL A 5 46.377 50.899 24.248 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.286 48.548 24.123 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.940 49.441 25.516 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.646 48.243 25.755 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.123 48.992 23.247 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.378 48.675 24.832 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.041 50.200 23.979 1.00 0.00 H new ATOM 92 N LYS A 6 47.497 50.947 27.790 1.00 0.00 N ATOM 93 CA LYS A 6 48.623 51.566 28.459 1.00 0.00 C ATOM 94 C LYS A 6 49.871 50.682 28.449 1.00 0.00 C ATOM 95 O LYS A 6 49.767 49.460 28.519 1.00 0.00 O ATOM 96 CB LYS A 6 48.195 52.009 29.856 1.00 0.00 C ATOM 97 CG LYS A 6 49.122 53.070 30.443 1.00 0.00 C ATOM 98 CD LYS A 6 48.578 53.616 31.760 1.00 0.00 C ATOM 99 CE LYS A 6 49.562 54.625 32.345 1.00 0.00 C ATOM 100 NZ LYS A 6 49.124 55.119 33.659 1.00 0.00 N ATOM 0 H LYS A 6 47.271 50.022 28.156 1.00 0.00 H new ATOM 0 HA LYS A 6 48.923 52.455 27.904 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.179 52.402 29.814 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.174 51.143 30.518 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.111 52.642 30.606 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.241 53.886 29.730 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.610 54.090 31.596 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.417 52.800 32.464 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.544 54.161 32.440 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.671 55.465 31.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.819 55.802 34.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.199 55.584 33.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.044 54.321 34.321 1.00 0.00 H new ATOM 114 N THR A 7 51.048 51.291 28.338 1.00 0.00 N ATOM 115 CA THR A 7 52.334 50.621 28.335 1.00 0.00 C ATOM 116 C THR A 7 52.982 50.591 29.721 1.00 0.00 C ATOM 117 O THR A 7 52.641 51.376 30.603 1.00 0.00 O ATOM 118 CB THR A 7 53.302 51.293 27.365 1.00 0.00 C ATOM 119 OG1 THR A 7 53.564 52.605 27.808 1.00 0.00 O ATOM 120 CG2 THR A 7 52.780 51.363 25.933 1.00 0.00 C ATOM 0 H THR A 7 51.130 52.303 28.244 1.00 0.00 H new ATOM 0 HA THR A 7 52.136 49.597 28.019 1.00 0.00 H new ATOM 0 HB THR A 7 54.204 50.681 27.352 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.461 52.874 27.520 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.520 51.853 25.300 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.596 50.354 25.563 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.851 51.932 25.912 1.00 0.00 H new ATOM 128 N LEU A 8 53.990 49.743 29.902 1.00 0.00 N ATOM 129 CA LEU A 8 54.833 49.749 31.081 1.00 0.00 C ATOM 130 C LEU A 8 55.663 51.028 31.214 1.00 0.00 C ATOM 131 O LEU A 8 55.950 51.455 32.330 1.00 0.00 O ATOM 132 CB LEU A 8 55.726 48.511 31.073 1.00 0.00 C ATOM 133 CG LEU A 8 55.003 47.168 31.126 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.028 46.039 31.075 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.171 46.988 32.392 1.00 0.00 C ATOM 0 H LEU A 8 54.243 49.026 29.222 1.00 0.00 H new ATOM 0 HA LEU A 8 54.182 49.725 31.955 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.341 48.536 30.173 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.404 48.570 31.924 1.00 0.00 H new ATOM 0 HG LEU A 8 54.329 47.143 30.270 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.514 45.079 31.113 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.600 46.108 30.150 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.704 46.122 31.926 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.682 46.014 32.370 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.820 47.049 33.266 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.416 47.772 32.446 1.00 0.00 H new ATOM 147 N THR A 9 55.977 51.698 30.109 1.00 0.00 N ATOM 148 CA THR A 9 56.589 53.011 30.084 1.00 0.00 C ATOM 149 C THR A 9 55.662 54.137 30.548 1.00 0.00 C ATOM 150 O THR A 9 56.115 55.267 30.715 1.00 0.00 O ATOM 151 CB THR A 9 57.151 53.342 28.706 1.00 0.00 C ATOM 152 OG1 THR A 9 56.149 53.262 27.716 1.00 0.00 O ATOM 153 CG2 THR A 9 58.263 52.389 28.277 1.00 0.00 C ATOM 0 H THR A 9 55.804 51.323 29.176 1.00 0.00 H new ATOM 0 HA THR A 9 57.404 52.953 30.805 1.00 0.00 H new ATOM 0 HB THR A 9 57.546 54.354 28.795 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.535 53.480 26.842 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.625 52.673 27.289 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.084 52.442 28.993 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.876 51.370 28.243 1.00 0.00 H new ATOM 161 N GLY A 10 54.385 53.850 30.785 1.00 0.00 N ATOM 162 CA GLY A 10 53.387 54.768 31.295 1.00 0.00 C ATOM 163 C GLY A 10 52.573 55.510 30.233 1.00 0.00 C ATOM 164 O GLY A 10 51.659 56.253 30.585 1.00 0.00 O ATOM 0 H GLY A 10 54.004 52.919 30.615 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.699 54.213 31.933 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.884 55.504 31.927 1.00 0.00 H new ATOM 168 N LYS A 11 52.864 55.309 28.951 1.00 0.00 N ATOM 169 CA LYS A 11 52.191 55.978 27.855 1.00 0.00 C ATOM 170 C LYS A 11 50.829 55.340 27.576 1.00 0.00 C ATOM 171 O LYS A 11 50.713 54.118 27.530 1.00 0.00 O ATOM 172 CB LYS A 11 53.100 55.982 26.629 1.00 0.00 C ATOM 173 CG LYS A 11 52.612 56.865 25.484 1.00 0.00 C ATOM 174 CD LYS A 11 52.761 58.361 25.748 1.00 0.00 C ATOM 175 CE LYS A 11 52.038 59.179 24.680 1.00 0.00 C ATOM 176 NZ LYS A 11 52.189 60.623 24.919 1.00 0.00 N ATOM 0 H LYS A 11 53.590 54.662 28.644 1.00 0.00 H new ATOM 0 HA LYS A 11 51.991 57.014 28.127 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.094 56.314 26.930 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.203 54.960 26.265 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.165 56.609 24.580 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.563 56.643 25.289 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.358 58.602 26.731 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.818 58.628 25.763 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.434 58.928 23.696 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.980 58.918 24.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.687 61.152 24.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.789 60.865 25.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.198 60.874 24.901 1.00 0.00 H new ATOM 190 N THR A 12 49.816 56.171 27.346 1.00 0.00 N ATOM 191 CA THR A 12 48.455 55.755 27.077 1.00 0.00 C ATOM 192 C THR A 12 48.101 55.927 25.599 1.00 0.00 C ATOM 193 O THR A 12 48.624 56.804 24.916 1.00 0.00 O ATOM 194 CB THR A 12 47.472 56.491 27.985 1.00 0.00 C ATOM 195 OG1 THR A 12 47.917 56.439 29.322 1.00 0.00 O ATOM 196 CG2 THR A 12 46.073 55.880 27.991 1.00 0.00 C ATOM 0 H THR A 12 49.930 57.185 27.343 1.00 0.00 H new ATOM 0 HA THR A 12 48.377 54.691 27.302 1.00 0.00 H new ATOM 0 HB THR A 12 47.425 57.506 27.590 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.282 56.915 29.897 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.428 56.454 28.657 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.662 55.901 26.982 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.128 54.848 28.339 1.00 0.00 H new ATOM 204 N ILE A 13 47.209 55.081 25.091 1.00 0.00 N ATOM 205 CA ILE A 13 46.685 55.012 23.741 1.00 0.00 C ATOM 206 C ILE A 13 45.163 54.897 23.849 1.00 0.00 C ATOM 207 O ILE A 13 44.669 54.216 24.744 1.00 0.00 O ATOM 208 CB ILE A 13 47.287 53.808 23.023 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.793 53.955 22.819 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.600 53.527 21.689 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.503 52.664 22.421 1.00 0.00 C ATOM 0 H ILE A 13 46.797 54.356 25.679 1.00 0.00 H new ATOM 0 HA ILE A 13 46.944 55.900 23.164 1.00 0.00 H new ATOM 0 HB ILE A 13 47.114 52.953 23.677 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.972 54.706 22.049 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.237 54.331 23.741 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.064 52.661 21.216 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.543 53.324 21.860 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.702 54.395 21.037 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.568 52.858 22.297 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.359 51.915 23.199 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.089 52.296 21.482 1.00 0.00 H new ATOM 223 N THR A 14 44.417 55.494 22.923 1.00 0.00 N ATOM 224 CA THR A 14 42.993 55.285 22.759 1.00 0.00 C ATOM 225 C THR A 14 42.729 54.630 21.401 1.00 0.00 C ATOM 226 O THR A 14 43.328 55.045 20.412 1.00 0.00 O ATOM 227 CB THR A 14 42.202 56.585 22.868 1.00 0.00 C ATOM 228 OG1 THR A 14 42.591 57.333 23.998 1.00 0.00 O ATOM 229 CG2 THR A 14 40.704 56.333 23.015 1.00 0.00 C ATOM 0 H THR A 14 44.804 56.155 22.249 1.00 0.00 H new ATOM 0 HA THR A 14 42.658 54.633 23.565 1.00 0.00 H new ATOM 0 HB THR A 14 42.411 57.128 21.946 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.102 57.015 24.785 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.180 57.286 23.089 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.340 55.786 22.145 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.520 55.747 23.916 1.00 0.00 H new ATOM 237 N LEU A 15 41.862 53.624 21.345 1.00 0.00 N ATOM 238 CA LEU A 15 41.444 52.962 20.125 1.00 0.00 C ATOM 239 C LEU A 15 39.925 52.996 19.950 1.00 0.00 C ATOM 240 O LEU A 15 39.179 52.951 20.926 1.00 0.00 O ATOM 241 CB LEU A 15 41.939 51.520 20.087 1.00 0.00 C ATOM 242 CG LEU A 15 43.443 51.283 20.196 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.683 49.776 20.144 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.247 51.926 19.070 1.00 0.00 C ATOM 0 H LEU A 15 41.419 53.238 22.179 1.00 0.00 H new ATOM 0 HA LEU A 15 41.892 53.512 19.297 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.454 50.978 20.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.596 51.072 19.155 1.00 0.00 H new ATOM 0 HG LEU A 15 43.776 51.737 21.129 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.752 49.575 20.220 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.164 49.296 20.973 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.305 49.380 19.201 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.307 51.716 19.214 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.923 51.518 18.113 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.087 53.004 19.078 1.00 0.00 H new ATOM 256 N GLU A 16 39.477 53.008 18.697 1.00 0.00 N ATOM 257 CA GLU A 16 38.087 52.943 18.295 1.00 0.00 C ATOM 258 C GLU A 16 37.761 51.538 17.785 1.00 0.00 C ATOM 259 O GLU A 16 38.474 51.017 16.931 1.00 0.00 O ATOM 260 CB GLU A 16 37.841 54.013 17.233 1.00 0.00 C ATOM 261 CG GLU A 16 36.373 54.325 16.965 1.00 0.00 C ATOM 262 CD GLU A 16 35.807 55.426 17.865 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.735 55.236 18.481 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.374 56.539 17.913 1.00 0.00 O ATOM 0 H GLU A 16 40.111 53.066 17.900 1.00 0.00 H new ATOM 0 HA GLU A 16 37.428 53.138 19.141 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.342 54.931 17.540 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.305 53.692 16.300 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.258 54.624 15.923 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.786 53.417 17.103 1.00 0.00 H new ATOM 271 N VAL A 17 36.734 50.889 18.327 1.00 0.00 N ATOM 272 CA VAL A 17 36.433 49.488 18.110 1.00 0.00 C ATOM 273 C VAL A 17 34.934 49.177 18.084 1.00 0.00 C ATOM 274 O VAL A 17 34.118 49.896 18.656 1.00 0.00 O ATOM 275 CB VAL A 17 37.096 48.594 19.152 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.617 48.716 19.181 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.556 48.837 20.559 1.00 0.00 C ATOM 0 H VAL A 17 36.068 51.346 18.951 1.00 0.00 H new ATOM 0 HA VAL A 17 36.840 49.274 17.122 1.00 0.00 H new ATOM 0 HB VAL A 17 36.841 47.582 18.837 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.021 48.052 19.945 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.023 48.439 18.208 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.895 49.745 19.410 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.061 48.175 21.262 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.735 49.874 20.844 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.485 48.636 20.577 1.00 0.00 H new ATOM 287 N GLU A 18 34.593 48.022 17.520 1.00 0.00 N ATOM 288 CA GLU A 18 33.347 47.330 17.786 1.00 0.00 C ATOM 289 C GLU A 18 33.603 46.064 18.606 1.00 0.00 C ATOM 290 O GLU A 18 34.676 45.482 18.468 1.00 0.00 O ATOM 291 CB GLU A 18 32.630 46.993 16.482 1.00 0.00 C ATOM 292 CG GLU A 18 32.222 48.196 15.635 1.00 0.00 C ATOM 293 CD GLU A 18 31.282 49.180 16.333 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.343 50.386 16.009 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.451 48.771 17.172 1.00 0.00 O ATOM 0 H GLU A 18 35.191 47.535 16.852 1.00 0.00 H new ATOM 0 HA GLU A 18 32.703 47.990 18.367 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.278 46.352 15.885 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.737 46.414 16.716 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.122 48.729 15.329 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.740 47.836 14.726 1.00 0.00 H new ATOM 302 N PRO A 19 32.678 45.577 19.428 1.00 0.00 N ATOM 303 CA PRO A 19 32.869 44.381 20.223 1.00 0.00 C ATOM 304 C PRO A 19 33.255 43.117 19.452 1.00 0.00 C ATOM 305 O PRO A 19 33.924 42.248 20.006 1.00 0.00 O ATOM 306 CB PRO A 19 31.544 44.138 20.940 1.00 0.00 C ATOM 307 CG PRO A 19 30.946 45.537 21.059 1.00 0.00 C ATOM 308 CD PRO A 19 31.442 46.237 19.798 1.00 0.00 C ATOM 0 HA PRO A 19 33.717 44.562 20.884 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.896 43.471 20.372 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.694 43.680 21.918 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.857 45.507 21.101 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.286 46.045 21.962 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.706 46.163 18.997 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.608 47.299 19.982 1.00 0.00 H new ATOM 316 N SER A 20 32.843 43.000 18.193 1.00 0.00 N ATOM 317 CA SER A 20 33.194 41.909 17.308 1.00 0.00 C ATOM 318 C SER A 20 34.568 42.030 16.646 1.00 0.00 C ATOM 319 O SER A 20 34.954 41.124 15.911 1.00 0.00 O ATOM 320 CB SER A 20 32.106 41.699 16.259 1.00 0.00 C ATOM 321 OG SER A 20 31.869 42.869 15.509 1.00 0.00 O ATOM 0 H SER A 20 32.235 43.690 17.752 1.00 0.00 H new ATOM 0 HA SER A 20 33.266 41.032 17.951 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.398 40.891 15.589 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.183 41.388 16.749 1.00 0.00 H new ATOM 0 HG SER A 20 31.168 42.696 14.846 1.00 0.00 H new ATOM 327 N ASP A 21 35.325 43.099 16.882 1.00 0.00 N ATOM 328 CA ASP A 21 36.704 43.187 16.446 1.00 0.00 C ATOM 329 C ASP A 21 37.544 42.094 17.110 1.00 0.00 C ATOM 330 O ASP A 21 37.436 41.849 18.309 1.00 0.00 O ATOM 331 CB ASP A 21 37.296 44.566 16.723 1.00 0.00 C ATOM 332 CG ASP A 21 36.759 45.706 15.856 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.079 45.450 14.839 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.099 46.879 16.124 1.00 0.00 O ATOM 0 H ASP A 21 34.994 43.925 17.381 1.00 0.00 H new ATOM 0 HA ASP A 21 36.721 43.036 15.367 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.117 44.814 17.769 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.376 44.511 16.589 1.00 0.00 H new ATOM 339 N THR A 22 38.398 41.433 16.335 1.00 0.00 N ATOM 340 CA THR A 22 39.298 40.414 16.839 1.00 0.00 C ATOM 341 C THR A 22 40.492 41.033 17.568 1.00 0.00 C ATOM 342 O THR A 22 40.899 42.156 17.280 1.00 0.00 O ATOM 343 CB THR A 22 39.794 39.464 15.752 1.00 0.00 C ATOM 344 OG1 THR A 22 40.536 40.163 14.778 1.00 0.00 O ATOM 345 CG2 THR A 22 38.661 38.738 15.033 1.00 0.00 C ATOM 0 H THR A 22 38.482 41.595 15.331 1.00 0.00 H new ATOM 0 HA THR A 22 38.711 39.827 17.545 1.00 0.00 H new ATOM 0 HB THR A 22 40.413 38.729 16.267 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.846 39.537 14.091 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.077 38.078 14.272 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.092 38.149 15.752 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.004 39.468 14.560 1.00 0.00 H new ATOM 353 N ILE A 23 41.122 40.282 18.468 1.00 0.00 N ATOM 354 CA ILE A 23 42.335 40.705 19.136 1.00 0.00 C ATOM 355 C ILE A 23 43.454 40.948 18.122 1.00 0.00 C ATOM 356 O ILE A 23 44.191 41.922 18.253 1.00 0.00 O ATOM 357 CB ILE A 23 42.722 39.698 20.216 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.637 39.487 21.268 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.044 40.048 20.894 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.134 40.736 21.986 1.00 0.00 C ATOM 0 H ILE A 23 40.797 39.358 18.751 1.00 0.00 H new ATOM 0 HA ILE A 23 42.158 41.657 19.636 1.00 0.00 H new ATOM 0 HB ILE A 23 42.846 38.756 19.681 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.786 39.003 20.789 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.018 38.793 22.017 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.273 39.300 21.653 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.841 40.065 20.150 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.964 41.029 21.363 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.367 40.457 22.708 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.963 41.216 22.506 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.712 41.429 21.258 1.00 0.00 H new ATOM 372 N GLU A 24 43.533 40.157 17.056 1.00 0.00 N ATOM 373 CA GLU A 24 44.395 40.406 15.918 1.00 0.00 C ATOM 374 C GLU A 24 44.120 41.749 15.239 1.00 0.00 C ATOM 375 O GLU A 24 45.047 42.525 15.023 1.00 0.00 O ATOM 376 CB GLU A 24 44.210 39.237 14.954 1.00 0.00 C ATOM 377 CG GLU A 24 45.012 39.309 13.658 1.00 0.00 C ATOM 378 CD GLU A 24 44.664 38.112 12.772 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.552 37.288 12.465 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.490 37.981 12.361 1.00 0.00 O ATOM 0 H GLU A 24 42.982 39.304 16.963 1.00 0.00 H new ATOM 0 HA GLU A 24 45.430 40.475 16.253 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.478 38.317 15.474 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.152 39.164 14.701 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.792 40.239 13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.079 39.313 13.879 1.00 0.00 H new ATOM 387 N ASN A 25 42.860 42.077 14.966 1.00 0.00 N ATOM 388 CA ASN A 25 42.474 43.348 14.386 1.00 0.00 C ATOM 389 C ASN A 25 42.699 44.533 15.328 1.00 0.00 C ATOM 390 O ASN A 25 42.880 45.651 14.853 1.00 0.00 O ATOM 391 CB ASN A 25 41.026 43.280 13.912 1.00 0.00 C ATOM 392 CG ASN A 25 40.802 42.411 12.673 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.716 41.814 12.107 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.563 42.317 12.199 1.00 0.00 N ATOM 0 H ASN A 25 42.072 41.455 15.146 1.00 0.00 H new ATOM 0 HA ASN A 25 43.125 43.527 13.530 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.409 42.897 14.725 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.680 44.291 13.698 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.375 41.752 11.371 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.800 42.810 12.664 1.00 0.00 H new ATOM 401 N VAL A 26 42.744 44.319 16.640 1.00 0.00 N ATOM 402 CA VAL A 26 43.071 45.323 17.632 1.00 0.00 C ATOM 403 C VAL A 26 44.582 45.535 17.745 1.00 0.00 C ATOM 404 O VAL A 26 45.033 46.678 17.753 1.00 0.00 O ATOM 405 CB VAL A 26 42.423 44.986 18.972 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.886 45.893 20.109 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.906 45.125 18.880 1.00 0.00 C ATOM 0 H VAL A 26 42.546 43.406 17.050 1.00 0.00 H new ATOM 0 HA VAL A 26 42.656 46.276 17.304 1.00 0.00 H new ATOM 0 HB VAL A 26 42.724 43.961 19.191 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.388 45.601 21.033 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.965 45.799 20.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.636 46.928 19.874 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.459 44.881 19.844 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.650 46.150 18.610 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.524 44.444 18.120 1.00 0.00 H new ATOM 417 N LYS A 27 45.392 44.480 17.709 1.00 0.00 N ATOM 418 CA LYS A 27 46.834 44.568 17.606 1.00 0.00 C ATOM 419 C LYS A 27 47.273 45.261 16.314 1.00 0.00 C ATOM 420 O LYS A 27 48.241 46.018 16.307 1.00 0.00 O ATOM 421 CB LYS A 27 47.442 43.175 17.741 1.00 0.00 C ATOM 422 CG LYS A 27 47.308 42.609 19.152 1.00 0.00 C ATOM 423 CD LYS A 27 47.594 41.113 19.245 1.00 0.00 C ATOM 424 CE LYS A 27 49.035 40.772 18.877 1.00 0.00 C ATOM 425 NZ LYS A 27 49.306 39.329 18.971 1.00 0.00 N ATOM 0 H LYS A 27 45.049 43.520 17.752 1.00 0.00 H new ATOM 0 HA LYS A 27 47.204 45.189 18.422 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.956 42.501 17.036 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.497 43.215 17.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.991 43.142 19.814 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.298 42.800 19.516 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.390 40.769 20.259 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.916 40.574 18.583 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.239 41.113 17.862 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.714 41.311 19.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.316 39.153 18.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.056 38.990 19.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.738 38.822 18.262 1.00 0.00 H new ATOM 439 N ALA A 28 46.507 45.099 15.239 1.00 0.00 N ATOM 440 CA ALA A 28 46.659 45.865 14.019 1.00 0.00 C ATOM 441 C ALA A 28 46.286 47.340 14.180 1.00 0.00 C ATOM 442 O ALA A 28 46.985 48.191 13.634 1.00 0.00 O ATOM 443 CB ALA A 28 45.863 45.192 12.906 1.00 0.00 C ATOM 0 H ALA A 28 45.750 44.417 15.197 1.00 0.00 H new ATOM 0 HA ALA A 28 47.716 45.872 13.755 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.972 45.763 11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.237 44.180 12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.810 45.152 13.185 1.00 0.00 H new ATOM 449 N LYS A 29 45.280 47.686 14.978 1.00 0.00 N ATOM 450 CA LYS A 29 44.935 49.061 15.284 1.00 0.00 C ATOM 451 C LYS A 29 46.005 49.770 16.115 1.00 0.00 C ATOM 452 O LYS A 29 46.229 50.958 15.896 1.00 0.00 O ATOM 453 CB LYS A 29 43.558 49.152 15.936 1.00 0.00 C ATOM 454 CG LYS A 29 42.420 48.989 14.932 1.00 0.00 C ATOM 455 CD LYS A 29 41.045 48.938 15.592 1.00 0.00 C ATOM 456 CE LYS A 29 39.959 48.876 14.521 1.00 0.00 C ATOM 457 NZ LYS A 29 38.596 48.956 15.070 1.00 0.00 N ATOM 0 H LYS A 29 44.675 47.004 15.435 1.00 0.00 H new ATOM 0 HA LYS A 29 44.891 49.593 14.333 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.473 48.383 16.704 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.460 50.115 16.437 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.446 49.817 14.224 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.576 48.075 14.359 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.976 48.067 16.243 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.900 49.817 16.220 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.108 49.693 13.815 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.064 47.947 13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.960 49.375 14.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.263 48.001 15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.600 49.549 15.925 1.00 0.00 H new ATOM 471 N ILE A 30 46.721 49.069 16.990 1.00 0.00 N ATOM 472 CA ILE A 30 47.929 49.559 17.623 1.00 0.00 C ATOM 473 C ILE A 30 48.998 49.863 16.572 1.00 0.00 C ATOM 474 O ILE A 30 49.540 50.966 16.549 1.00 0.00 O ATOM 475 CB ILE A 30 48.449 48.583 18.675 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.533 48.430 19.885 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.863 48.912 19.144 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.447 49.639 20.812 1.00 0.00 C ATOM 0 H ILE A 30 46.467 48.125 17.281 1.00 0.00 H new ATOM 0 HA ILE A 30 47.684 50.486 18.141 1.00 0.00 H new ATOM 0 HB ILE A 30 48.467 47.626 18.153 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.529 48.197 19.530 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.872 47.573 20.467 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.177 48.183 19.891 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.545 48.878 18.295 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.878 49.910 19.582 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.769 49.418 21.636 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.437 49.865 21.208 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.074 50.498 20.255 1.00 0.00 H new ATOM 490 N GLN A 31 49.290 48.919 15.681 1.00 0.00 N ATOM 491 CA GLN A 31 50.281 49.079 14.636 1.00 0.00 C ATOM 492 C GLN A 31 49.974 50.268 13.725 1.00 0.00 C ATOM 493 O GLN A 31 50.885 51.014 13.373 1.00 0.00 O ATOM 494 CB GLN A 31 50.363 47.782 13.835 1.00 0.00 C ATOM 495 CG GLN A 31 51.540 47.742 12.865 1.00 0.00 C ATOM 496 CD GLN A 31 51.493 46.536 11.924 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.434 46.009 11.592 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.637 46.074 11.428 1.00 0.00 N ATOM 0 H GLN A 31 48.833 48.007 15.670 1.00 0.00 H new ATOM 0 HA GLN A 31 51.245 49.291 15.099 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.442 46.942 14.525 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.437 47.650 13.276 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.549 48.658 12.274 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.471 47.719 13.431 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.521 46.505 11.698 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.630 45.288 10.778 1.00 0.00 H new ATOM 507 N ASP A 32 48.705 50.504 13.402 1.00 0.00 N ATOM 508 CA ASP A 32 48.252 51.562 12.523 1.00 0.00 C ATOM 509 C ASP A 32 48.701 52.965 12.936 1.00 0.00 C ATOM 510 O ASP A 32 48.949 53.784 12.055 1.00 0.00 O ATOM 511 CB ASP A 32 46.729 51.503 12.430 1.00 0.00 C ATOM 512 CG ASP A 32 46.213 52.165 11.150 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.340 51.540 10.076 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.677 53.294 11.207 1.00 0.00 O ATOM 0 H ASP A 32 47.938 49.937 13.764 1.00 0.00 H new ATOM 0 HA ASP A 32 48.717 51.386 11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.403 50.463 12.459 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.292 51.998 13.297 1.00 0.00 H new ATOM 519 N LYS A 33 48.838 53.226 14.233 1.00 0.00 N ATOM 520 CA LYS A 33 49.295 54.493 14.767 1.00 0.00 C ATOM 521 C LYS A 33 50.651 54.475 15.476 1.00 0.00 C ATOM 522 O LYS A 33 51.314 55.508 15.482 1.00 0.00 O ATOM 523 CB LYS A 33 48.188 55.177 15.565 1.00 0.00 C ATOM 524 CG LYS A 33 47.909 54.602 16.950 1.00 0.00 C ATOM 525 CD LYS A 33 47.001 55.478 17.810 1.00 0.00 C ATOM 526 CE LYS A 33 45.533 55.452 17.394 1.00 0.00 C ATOM 527 NZ LYS A 33 44.694 56.267 18.288 1.00 0.00 N ATOM 0 H LYS A 33 48.627 52.539 14.957 1.00 0.00 H new ATOM 0 HA LYS A 33 49.513 55.111 13.896 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.445 56.230 15.676 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.267 55.133 14.983 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.451 53.619 16.839 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.856 54.456 17.470 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.079 55.154 18.848 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.361 56.506 17.769 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.439 55.820 16.372 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.173 54.423 17.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.953 56.741 17.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.252 55.655 19.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.283 56.982 18.761 1.00 0.00 H new ATOM 541 N GLU A 34 51.100 53.365 16.056 1.00 0.00 N ATOM 542 CA GLU A 34 52.356 53.270 16.772 1.00 0.00 C ATOM 543 C GLU A 34 53.457 52.477 16.067 1.00 0.00 C ATOM 544 O GLU A 34 54.616 52.544 16.472 1.00 0.00 O ATOM 545 CB GLU A 34 52.130 52.688 18.165 1.00 0.00 C ATOM 546 CG GLU A 34 51.218 53.483 19.096 1.00 0.00 C ATOM 547 CD GLU A 34 51.655 54.938 19.276 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.845 55.177 19.578 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.833 55.867 19.125 1.00 0.00 O ATOM 0 H GLU A 34 50.582 52.487 16.037 1.00 0.00 H new ATOM 0 HA GLU A 34 52.719 54.296 16.825 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.714 51.687 18.053 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.100 52.578 18.650 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.202 53.462 18.702 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.192 52.996 20.071 1.00 0.00 H new ATOM 556 N GLY A 35 53.131 51.698 15.040 1.00 0.00 N ATOM 557 CA GLY A 35 54.083 50.937 14.256 1.00 0.00 C ATOM 558 C GLY A 35 54.648 49.679 14.920 1.00 0.00 C ATOM 559 O GLY A 35 55.571 49.075 14.379 1.00 0.00 O ATOM 0 H GLY A 35 52.168 51.579 14.726 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.603 50.646 13.322 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.915 51.592 13.997 1.00 0.00 H new ATOM 563 N ILE A 36 54.118 49.265 16.068 1.00 0.00 N ATOM 564 CA ILE A 36 54.631 48.165 16.859 1.00 0.00 C ATOM 565 C ILE A 36 54.279 46.829 16.200 1.00 0.00 C ATOM 566 O ILE A 36 53.093 46.600 15.972 1.00 0.00 O ATOM 567 CB ILE A 36 54.114 48.259 18.292 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.486 49.583 18.953 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.644 47.107 19.141 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.824 49.835 20.304 1.00 0.00 C ATOM 0 H ILE A 36 53.295 49.703 16.481 1.00 0.00 H new ATOM 0 HA ILE A 36 55.718 48.226 16.903 1.00 0.00 H new ATOM 0 HB ILE A 36 53.027 48.199 18.233 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.568 49.616 19.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.221 50.397 18.278 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.261 47.198 20.157 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.317 46.159 18.713 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.733 47.140 19.160 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.149 50.799 20.694 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.741 49.839 20.183 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.108 49.047 21.001 1.00 0.00 H new ATOM 582 N PRO A 37 55.225 45.938 15.916 1.00 0.00 N ATOM 583 CA PRO A 37 54.981 44.710 15.184 1.00 0.00 C ATOM 584 C PRO A 37 54.028 43.761 15.912 1.00 0.00 C ATOM 585 O PRO A 37 54.355 43.323 17.013 1.00 0.00 O ATOM 586 CB PRO A 37 56.352 44.083 14.948 1.00 0.00 C ATOM 587 CG PRO A 37 57.249 44.687 16.025 1.00 0.00 C ATOM 588 CD PRO A 37 56.640 46.075 16.196 1.00 0.00 C ATOM 0 HA PRO A 37 54.475 44.921 14.242 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.310 42.997 15.032 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.725 44.311 13.949 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.221 44.112 16.950 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.291 44.734 15.710 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.801 46.448 17.207 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.103 46.789 15.515 1.00 0.00 H new ATOM 596 N PRO A 38 52.870 43.409 15.363 1.00 0.00 N ATOM 597 CA PRO A 38 51.860 42.641 16.063 1.00 0.00 C ATOM 598 C PRO A 38 52.266 41.241 16.528 1.00 0.00 C ATOM 599 O PRO A 38 51.743 40.782 17.541 1.00 0.00 O ATOM 600 CB PRO A 38 50.651 42.573 15.135 1.00 0.00 C ATOM 601 CG PRO A 38 50.782 43.854 14.318 1.00 0.00 C ATOM 602 CD PRO A 38 52.296 43.948 14.147 1.00 0.00 C ATOM 0 HA PRO A 38 51.657 43.154 17.003 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.675 41.685 14.503 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.714 42.542 15.692 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.264 43.786 13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.373 44.718 14.841 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.626 43.382 13.276 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.608 44.981 13.993 1.00 0.00 H new ATOM 610 N ASP A 39 53.230 40.589 15.885 1.00 0.00 N ATOM 611 CA ASP A 39 53.712 39.291 16.310 1.00 0.00 C ATOM 612 C ASP A 39 54.581 39.367 17.568 1.00 0.00 C ATOM 613 O ASP A 39 54.983 38.335 18.101 1.00 0.00 O ATOM 614 CB ASP A 39 54.446 38.570 15.183 1.00 0.00 C ATOM 615 CG ASP A 39 53.583 38.335 13.942 1.00 0.00 C ATOM 616 OD1 ASP A 39 53.580 39.199 13.039 1.00 0.00 O ATOM 617 OD2 ASP A 39 52.914 37.282 13.859 1.00 0.00 O ATOM 0 H ASP A 39 53.696 40.952 15.053 1.00 0.00 H new ATOM 0 HA ASP A 39 52.829 38.707 16.569 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.323 39.153 14.901 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.807 37.610 15.552 1.00 0.00 H new ATOM 622 N GLN A 40 54.891 40.567 18.052 1.00 0.00 N ATOM 623 CA GLN A 40 55.619 40.844 19.273 1.00 0.00 C ATOM 624 C GLN A 40 54.793 41.614 20.305 1.00 0.00 C ATOM 625 O GLN A 40 55.301 41.915 21.383 1.00 0.00 O ATOM 626 CB GLN A 40 56.911 41.584 18.937 1.00 0.00 C ATOM 627 CG GLN A 40 57.811 40.952 17.880 1.00 0.00 C ATOM 628 CD GLN A 40 58.510 39.663 18.318 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.711 39.628 18.576 1.00 0.00 O ATOM 630 NE2 GLN A 40 57.807 38.537 18.390 1.00 0.00 N ATOM 0 H GLN A 40 54.620 41.422 17.566 1.00 0.00 H new ATOM 0 HA GLN A 40 55.854 39.887 19.739 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.650 42.589 18.604 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.489 41.692 19.855 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.213 40.741 16.993 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.569 41.678 17.588 1.00 0.00 H new ATOM 0 HE21 GLN A 40 56.809 38.545 18.180 1.00 0.00 H new ATOM 0 HE22 GLN A 40 58.266 37.665 18.655 1.00 0.00 H new ATOM 639 N GLN A 41 53.534 41.927 20.011 1.00 0.00 N ATOM 640 CA GLN A 41 52.596 42.530 20.936 1.00 0.00 C ATOM 641 C GLN A 41 51.861 41.459 21.744 1.00 0.00 C ATOM 642 O GLN A 41 51.382 40.483 21.170 1.00 0.00 O ATOM 643 CB GLN A 41 51.544 43.352 20.196 1.00 0.00 C ATOM 644 CG GLN A 41 51.978 44.623 19.472 1.00 0.00 C ATOM 645 CD GLN A 41 50.769 45.287 18.811 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.669 45.322 19.359 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.870 45.817 17.595 1.00 0.00 N ATOM 0 H GLN A 41 53.131 41.760 19.089 1.00 0.00 H new ATOM 0 HA GLN A 41 53.177 43.173 21.598 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.072 42.699 19.462 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.775 43.629 20.917 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.442 45.313 20.177 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.729 44.384 18.719 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.766 45.807 17.107 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.052 46.233 17.150 1.00 0.00 H new ATOM 656 N ARG A 42 51.689 41.670 23.046 1.00 0.00 N ATOM 657 CA ARG A 42 50.812 40.920 23.923 1.00 0.00 C ATOM 658 C ARG A 42 49.819 41.886 24.573 1.00 0.00 C ATOM 659 O ARG A 42 50.248 42.907 25.106 1.00 0.00 O ATOM 660 CB ARG A 42 51.631 40.206 24.995 1.00 0.00 C ATOM 661 CG ARG A 42 52.663 39.208 24.476 1.00 0.00 C ATOM 662 CD ARG A 42 53.714 38.891 25.535 1.00 0.00 C ATOM 663 NE ARG A 42 53.160 38.177 26.687 1.00 0.00 N ATOM 664 CZ ARG A 42 53.733 38.058 27.892 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.936 38.569 28.188 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.115 37.407 28.888 1.00 0.00 N ATOM 0 H ARG A 42 52.188 42.411 23.539 1.00 0.00 H new ATOM 0 HA ARG A 42 50.269 40.170 23.348 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.146 40.957 25.594 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.946 39.681 25.661 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.162 38.289 24.173 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.149 39.614 23.589 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.505 38.290 25.087 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.173 39.820 25.875 1.00 0.00 H new ATOM 0 HE ARG A 42 52.253 37.728 26.560 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.462 39.078 27.478 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.325 38.448 29.123 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.195 36.994 28.734 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.565 37.325 29.800 1.00 0.00 H new ATOM 680 N LEU A 43 48.525 41.580 24.564 1.00 0.00 N ATOM 681 CA LEU A 43 47.503 42.378 25.209 1.00 0.00 C ATOM 682 C LEU A 43 46.963 41.657 26.447 1.00 0.00 C ATOM 683 O LEU A 43 46.554 40.502 26.353 1.00 0.00 O ATOM 684 CB LEU A 43 46.389 42.724 24.224 1.00 0.00 C ATOM 685 CG LEU A 43 46.787 43.659 23.085 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.588 43.897 22.172 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.269 45.026 23.562 1.00 0.00 C ATOM 0 H LEU A 43 48.156 40.752 24.097 1.00 0.00 H new ATOM 0 HA LEU A 43 47.947 43.316 25.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.007 41.798 23.794 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.568 43.181 24.776 1.00 0.00 H new ATOM 0 HG LEU A 43 47.609 43.165 22.567 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.876 44.565 21.360 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.252 42.946 21.758 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.779 44.350 22.745 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.535 45.639 22.701 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.474 45.516 24.124 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.142 44.901 24.202 1.00 0.00 H new ATOM 699 N ILE A 44 46.967 42.343 27.587 1.00 0.00 N ATOM 700 CA ILE A 44 46.594 41.817 28.885 1.00 0.00 C ATOM 701 C ILE A 44 45.376 42.560 29.438 1.00 0.00 C ATOM 702 O ILE A 44 45.365 43.788 29.475 1.00 0.00 O ATOM 703 CB ILE A 44 47.756 41.867 29.874 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.136 41.522 29.323 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.457 40.999 31.092 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.320 40.106 28.786 1.00 0.00 C ATOM 0 H ILE A 44 47.244 43.324 27.626 1.00 0.00 H new ATOM 0 HA ILE A 44 46.329 40.768 28.750 1.00 0.00 H new ATOM 0 HB ILE A 44 47.823 42.921 30.142 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.369 42.224 28.522 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.869 41.685 30.113 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.295 41.046 31.787 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.556 41.363 31.586 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.306 39.967 30.775 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.341 39.984 28.424 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.130 39.387 29.583 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.621 39.934 27.967 1.00 0.00 H new ATOM 718 N PHE A 45 44.363 41.830 29.896 1.00 0.00 N ATOM 719 CA PHE A 45 43.165 42.346 30.527 1.00 0.00 C ATOM 720 C PHE A 45 42.587 41.342 31.528 1.00 0.00 C ATOM 721 O PHE A 45 42.623 40.138 31.284 1.00 0.00 O ATOM 722 CB PHE A 45 42.137 42.686 29.453 1.00 0.00 C ATOM 723 CG PHE A 45 40.857 43.293 29.979 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.853 44.624 30.412 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.688 42.526 30.051 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.675 45.194 30.910 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.511 43.095 30.554 1.00 0.00 C ATOM 728 CZ PHE A 45 38.504 44.430 30.977 1.00 0.00 C ATOM 0 H PHE A 45 44.361 40.812 29.831 1.00 0.00 H new ATOM 0 HA PHE A 45 43.422 43.248 31.082 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.588 43.379 28.743 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.893 41.778 28.901 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.758 45.211 30.362 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.694 41.498 29.720 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.670 46.222 31.242 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.609 42.504 30.616 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.594 44.871 31.356 1.00 0.00 H new ATOM 738 N ALA A 46 42.027 41.813 32.638 1.00 0.00 N ATOM 739 CA ALA A 46 41.460 41.000 33.696 1.00 0.00 C ATOM 740 C ALA A 46 42.358 39.870 34.202 1.00 0.00 C ATOM 741 O ALA A 46 41.874 38.839 34.662 1.00 0.00 O ATOM 742 CB ALA A 46 40.050 40.562 33.307 1.00 0.00 C ATOM 0 H ALA A 46 41.956 42.813 32.828 1.00 0.00 H new ATOM 0 HA ALA A 46 41.386 41.630 34.582 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.626 39.951 34.104 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.425 41.442 33.153 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.091 39.980 32.386 1.00 0.00 H new ATOM 748 N GLY A 47 43.674 40.043 34.134 1.00 0.00 N ATOM 749 CA GLY A 47 44.662 39.038 34.475 1.00 0.00 C ATOM 750 C GLY A 47 44.926 37.964 33.418 1.00 0.00 C ATOM 751 O GLY A 47 45.720 37.062 33.673 1.00 0.00 O ATOM 0 H GLY A 47 44.092 40.921 33.828 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.603 39.543 34.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.345 38.544 35.394 1.00 0.00 H new ATOM 755 N LYS A 48 44.307 38.028 32.242 1.00 0.00 N ATOM 756 CA LYS A 48 44.501 37.128 31.122 1.00 0.00 C ATOM 757 C LYS A 48 45.235 37.812 29.966 1.00 0.00 C ATOM 758 O LYS A 48 45.005 38.989 29.698 1.00 0.00 O ATOM 759 CB LYS A 48 43.159 36.617 30.606 1.00 0.00 C ATOM 760 CG LYS A 48 42.426 35.729 31.606 1.00 0.00 C ATOM 761 CD LYS A 48 41.224 35.063 30.945 1.00 0.00 C ATOM 762 CE LYS A 48 40.531 34.143 31.948 1.00 0.00 C ATOM 763 NZ LYS A 48 39.336 33.506 31.376 1.00 0.00 N ATOM 0 H LYS A 48 43.618 38.753 32.040 1.00 0.00 H new ATOM 0 HA LYS A 48 45.106 36.297 31.486 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.526 37.468 30.355 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.321 36.058 29.685 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.105 34.968 31.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.097 36.324 32.458 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.526 35.821 30.589 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.546 34.492 30.074 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.230 33.374 32.277 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.249 34.716 32.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.896 32.890 32.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.658 34.239 31.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.608 32.938 30.548 1.00 0.00 H new ATOM 777 N GLN A 49 46.044 37.058 29.228 1.00 0.00 N ATOM 778 CA GLN A 49 46.465 37.455 27.899 1.00 0.00 C ATOM 779 C GLN A 49 45.362 37.134 26.888 1.00 0.00 C ATOM 780 O GLN A 49 44.737 36.080 26.972 1.00 0.00 O ATOM 781 CB GLN A 49 47.787 36.783 27.540 1.00 0.00 C ATOM 782 CG GLN A 49 48.359 37.303 26.224 1.00 0.00 C ATOM 783 CD GLN A 49 49.704 36.644 25.908 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.697 36.840 26.605 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.780 35.814 24.872 1.00 0.00 N ATOM 0 H GLN A 49 46.421 36.162 29.536 1.00 0.00 H new ATOM 0 HA GLN A 49 46.634 38.532 27.875 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.508 36.953 28.340 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.637 35.706 27.469 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.655 37.106 25.415 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.485 38.384 26.281 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.959 35.648 24.290 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.660 35.343 24.659 1.00 0.00 H new ATOM 794 N LEU A 50 45.112 38.023 25.930 1.00 0.00 N ATOM 795 CA LEU A 50 44.015 37.892 24.992 1.00 0.00 C ATOM 796 C LEU A 50 44.431 37.146 23.723 1.00 0.00 C ATOM 797 O LEU A 50 45.532 37.347 23.213 1.00 0.00 O ATOM 798 CB LEU A 50 43.396 39.262 24.731 1.00 0.00 C ATOM 799 CG LEU A 50 43.040 40.085 25.967 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.255 41.325 25.550 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.208 39.297 26.976 1.00 0.00 C ATOM 0 H LEU A 50 45.675 38.861 25.787 1.00 0.00 H new ATOM 0 HA LEU A 50 43.238 37.268 25.433 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.089 39.841 24.121 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.491 39.123 24.139 1.00 0.00 H new ATOM 0 HG LEU A 50 43.979 40.360 26.447 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.002 41.910 26.434 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.861 41.930 24.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.340 41.022 25.042 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.983 39.929 27.835 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.277 38.976 26.508 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.769 38.423 27.306 1.00 0.00 H new ATOM 813 N GLU A 51 43.568 36.267 23.223 1.00 0.00 N ATOM 814 CA GLU A 51 43.824 35.365 22.118 1.00 0.00 C ATOM 815 C GLU A 51 43.530 36.002 20.758 1.00 0.00 C ATOM 816 O GLU A 51 42.402 36.416 20.502 1.00 0.00 O ATOM 817 CB GLU A 51 43.005 34.089 22.284 1.00 0.00 C ATOM 818 CG GLU A 51 43.472 33.191 23.425 1.00 0.00 C ATOM 819 CD GLU A 51 42.564 31.972 23.605 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.774 31.931 24.573 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.636 31.022 22.796 1.00 0.00 O ATOM 0 H GLU A 51 42.626 36.164 23.600 1.00 0.00 H new ATOM 0 HA GLU A 51 44.888 35.128 22.138 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.962 34.359 22.452 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.041 33.523 21.353 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.491 32.858 23.230 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.496 33.765 24.351 1.00 0.00 H new ATOM 828 N ASP A 52 44.516 36.018 19.866 1.00 0.00 N ATOM 829 CA ASP A 52 44.473 36.613 18.545 1.00 0.00 C ATOM 830 C ASP A 52 43.246 36.232 17.713 1.00 0.00 C ATOM 831 O ASP A 52 42.724 37.066 16.977 1.00 0.00 O ATOM 832 CB ASP A 52 45.729 36.233 17.765 1.00 0.00 C ATOM 833 CG ASP A 52 46.987 36.993 18.187 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.609 36.631 19.209 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.416 37.918 17.463 1.00 0.00 O ATOM 0 H ASP A 52 45.419 35.588 20.064 1.00 0.00 H new ATOM 0 HA ASP A 52 44.413 37.688 18.714 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.907 35.164 17.885 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.551 36.410 16.704 1.00 0.00 H new ATOM 840 N GLY A 53 42.779 34.992 17.820 1.00 0.00 N ATOM 841 CA GLY A 53 41.643 34.455 17.099 1.00 0.00 C ATOM 842 C GLY A 53 40.268 34.701 17.723 1.00 0.00 C ATOM 843 O GLY A 53 39.276 34.200 17.197 1.00 0.00 O ATOM 0 H GLY A 53 43.207 34.306 18.443 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.644 34.878 16.095 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.783 33.379 16.992 1.00 0.00 H new ATOM 847 N ARG A 54 40.180 35.421 18.838 1.00 0.00 N ATOM 848 CA ARG A 54 38.966 35.716 19.572 1.00 0.00 C ATOM 849 C ARG A 54 38.627 37.205 19.502 1.00 0.00 C ATOM 850 O ARG A 54 39.421 37.995 18.996 1.00 0.00 O ATOM 851 CB ARG A 54 39.075 35.169 20.992 1.00 0.00 C ATOM 852 CG ARG A 54 39.293 33.658 21.007 1.00 0.00 C ATOM 853 CD ARG A 54 39.348 33.063 22.410 1.00 0.00 C ATOM 854 NE ARG A 54 38.028 32.909 23.023 1.00 0.00 N ATOM 855 CZ ARG A 54 37.715 33.099 24.311 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.600 33.525 25.225 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.459 32.884 24.723 1.00 0.00 N ATOM 0 H ARG A 54 41.004 35.835 19.273 1.00 0.00 H new ATOM 0 HA ARG A 54 38.120 35.209 19.107 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.901 35.660 21.507 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.167 35.410 21.544 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.489 33.178 20.449 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.223 33.428 20.487 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.837 32.090 22.366 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.964 33.701 23.044 1.00 0.00 H new ATOM 0 HE ARG A 54 37.267 32.628 22.405 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.563 33.720 24.950 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.310 33.654 26.194 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.749 32.578 24.057 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.212 33.026 25.702 1.00 0.00 H new ATOM 871 N THR A 55 37.445 37.601 19.967 1.00 0.00 N ATOM 872 CA THR A 55 36.931 38.955 19.912 1.00 0.00 C ATOM 873 C THR A 55 37.014 39.692 21.250 1.00 0.00 C ATOM 874 O THR A 55 37.125 39.067 22.303 1.00 0.00 O ATOM 875 CB THR A 55 35.493 39.005 19.407 1.00 0.00 C ATOM 876 OG1 THR A 55 34.627 38.368 20.319 1.00 0.00 O ATOM 877 CG2 THR A 55 35.295 38.353 18.042 1.00 0.00 C ATOM 0 H THR A 55 36.795 36.953 20.411 1.00 0.00 H new ATOM 0 HA THR A 55 37.582 39.467 19.203 1.00 0.00 H new ATOM 0 HB THR A 55 35.262 40.066 19.310 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.741 37.397 20.255 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.247 38.429 17.751 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.914 38.861 17.303 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.582 37.303 18.095 1.00 0.00 H new ATOM 885 N LEU A 56 36.866 41.013 21.242 1.00 0.00 N ATOM 886 CA LEU A 56 36.681 41.789 22.452 1.00 0.00 C ATOM 887 C LEU A 56 35.455 41.344 23.252 1.00 0.00 C ATOM 888 O LEU A 56 35.502 41.310 24.479 1.00 0.00 O ATOM 889 CB LEU A 56 36.580 43.271 22.103 1.00 0.00 C ATOM 890 CG LEU A 56 37.843 43.902 21.524 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.533 45.337 21.111 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.989 43.943 22.532 1.00 0.00 C ATOM 0 H LEU A 56 36.872 41.573 20.389 1.00 0.00 H new ATOM 0 HA LEU A 56 37.550 41.619 23.087 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.769 43.402 21.386 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.302 43.819 23.003 1.00 0.00 H new ATOM 0 HG LEU A 56 38.152 43.291 20.676 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.429 45.798 20.696 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.743 45.337 20.360 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.204 45.903 21.982 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.864 44.401 22.070 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.689 44.529 23.401 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.234 42.928 22.846 1.00 0.00 H new ATOM 904 N SER A 57 34.380 40.946 22.579 1.00 0.00 N ATOM 905 CA SER A 57 33.183 40.417 23.202 1.00 0.00 C ATOM 906 C SER A 57 33.375 39.057 23.877 1.00 0.00 C ATOM 907 O SER A 57 32.717 38.788 24.879 1.00 0.00 O ATOM 908 CB SER A 57 32.062 40.332 22.170 1.00 0.00 C ATOM 909 OG SER A 57 30.812 40.306 22.824 1.00 0.00 O ATOM 0 H SER A 57 34.321 40.985 21.561 1.00 0.00 H new ATOM 0 HA SER A 57 32.923 41.112 24.000 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.112 41.186 21.494 1.00 0.00 H new ATOM 0 HB3 SER A 57 32.183 39.436 21.561 1.00 0.00 H new ATOM 0 HG SER A 57 30.095 40.253 22.158 1.00 0.00 H new ATOM 915 N ASP A 58 34.310 38.222 23.434 1.00 0.00 N ATOM 916 CA ASP A 58 34.660 36.995 24.122 1.00 0.00 C ATOM 917 C ASP A 58 35.254 37.234 25.512 1.00 0.00 C ATOM 918 O ASP A 58 35.156 36.374 26.385 1.00 0.00 O ATOM 919 CB ASP A 58 35.641 36.164 23.300 1.00 0.00 C ATOM 920 CG ASP A 58 34.998 35.538 22.061 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.121 34.662 22.225 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.387 35.901 20.930 1.00 0.00 O ATOM 0 H ASP A 58 34.847 38.383 22.582 1.00 0.00 H new ATOM 0 HA ASP A 58 33.723 36.452 24.247 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.474 36.795 22.991 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.055 35.374 23.927 1.00 0.00 H new ATOM 927 N TYR A 59 35.829 38.411 25.739 1.00 0.00 N ATOM 928 CA TYR A 59 36.357 38.848 27.017 1.00 0.00 C ATOM 929 C TYR A 59 35.441 39.841 27.734 1.00 0.00 C ATOM 930 O TYR A 59 35.822 40.356 28.784 1.00 0.00 O ATOM 931 CB TYR A 59 37.776 39.371 26.815 1.00 0.00 C ATOM 932 CG TYR A 59 38.711 38.306 26.292 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.197 37.330 27.170 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.070 38.287 24.939 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.057 36.329 26.700 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.920 37.285 24.456 1.00 0.00 C ATOM 937 CZ TYR A 59 40.413 36.303 25.338 1.00 0.00 C ATOM 938 OH TYR A 59 41.237 35.321 24.869 1.00 0.00 O ATOM 0 H TYR A 59 35.942 39.111 25.005 1.00 0.00 H new ATOM 0 HA TYR A 59 36.398 37.993 27.692 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.756 40.208 26.117 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.158 39.754 27.761 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.909 37.349 28.211 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.692 39.044 24.269 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.444 35.582 27.378 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.197 37.265 23.412 1.00 0.00 H new ATOM 0 HH TYR A 59 41.295 34.599 25.529 1.00 0.00 H new ATOM 948 N ASN A 60 34.229 40.083 27.244 1.00 0.00 N ATOM 949 CA ASN A 60 33.264 40.989 27.833 1.00 0.00 C ATOM 950 C ASN A 60 33.822 42.396 28.059 1.00 0.00 C ATOM 951 O ASN A 60 33.559 43.032 29.076 1.00 0.00 O ATOM 952 CB ASN A 60 32.649 40.335 29.068 1.00 0.00 C ATOM 953 CG ASN A 60 32.019 38.962 28.831 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.640 38.579 27.727 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.865 38.171 29.889 1.00 0.00 N ATOM 0 H ASN A 60 33.885 39.634 26.395 1.00 0.00 H new ATOM 0 HA ASN A 60 32.454 41.162 27.124 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.422 40.236 29.830 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.887 41.002 29.472 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.434 37.253 29.781 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.177 38.483 30.809 1.00 0.00 H new ATOM 962 N ILE A 61 34.636 42.877 27.123 1.00 0.00 N ATOM 963 CA ILE A 61 35.252 44.187 27.154 1.00 0.00 C ATOM 964 C ILE A 61 34.241 45.241 26.698 1.00 0.00 C ATOM 965 O ILE A 61 33.521 45.042 25.722 1.00 0.00 O ATOM 966 CB ILE A 61 36.539 44.188 26.333 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.592 43.309 27.001 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.089 45.598 26.140 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.772 42.949 26.104 1.00 0.00 C ATOM 0 H ILE A 61 34.890 42.340 26.294 1.00 0.00 H new ATOM 0 HA ILE A 61 35.541 44.443 28.173 1.00 0.00 H new ATOM 0 HB ILE A 61 36.298 43.785 25.349 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.967 43.822 27.887 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.117 42.389 27.343 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.005 45.554 25.551 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.351 46.208 25.619 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.304 46.041 27.112 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.472 42.323 26.657 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.412 42.406 25.230 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.276 43.860 25.783 1.00 0.00 H new ATOM 981 N GLN A 62 34.193 46.365 27.408 1.00 0.00 N ATOM 982 CA GLN A 62 33.196 47.407 27.263 1.00 0.00 C ATOM 983 C GLN A 62 33.811 48.791 27.042 1.00 0.00 C ATOM 984 O GLN A 62 35.004 48.994 27.255 1.00 0.00 O ATOM 985 CB GLN A 62 32.305 47.403 28.501 1.00 0.00 C ATOM 986 CG GLN A 62 31.342 46.220 28.532 1.00 0.00 C ATOM 987 CD GLN A 62 30.420 46.281 29.752 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.862 46.481 30.882 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.111 46.127 29.582 1.00 0.00 N ATOM 0 H GLN A 62 34.881 46.578 28.130 1.00 0.00 H new ATOM 0 HA GLN A 62 32.608 47.194 26.370 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.931 47.380 29.393 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.735 48.331 28.536 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.743 46.213 27.621 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.908 45.289 28.548 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.734 45.961 28.649 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.483 46.175 30.385 1.00 0.00 H new ATOM 998 N LYS A 63 32.974 49.761 26.684 1.00 0.00 N ATOM 999 CA LYS A 63 33.294 51.173 26.605 1.00 0.00 C ATOM 1000 C LYS A 63 34.112 51.659 27.803 1.00 0.00 C ATOM 1001 O LYS A 63 33.722 51.469 28.952 1.00 0.00 O ATOM 1002 CB LYS A 63 31.971 51.926 26.484 1.00 0.00 C ATOM 1003 CG LYS A 63 32.060 53.442 26.625 1.00 0.00 C ATOM 1004 CD LYS A 63 30.689 54.064 26.372 1.00 0.00 C ATOM 1005 CE LYS A 63 30.617 55.556 26.687 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.725 55.839 28.127 1.00 0.00 N ATOM 0 H LYS A 63 32.006 49.567 26.429 1.00 0.00 H new ATOM 0 HA LYS A 63 33.926 51.360 25.737 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.529 51.695 25.515 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.288 51.548 27.244 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.410 53.704 27.623 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.787 53.841 25.917 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.419 53.910 25.327 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.947 53.540 26.974 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.417 56.074 26.158 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.676 55.957 26.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.296 56.764 28.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.228 55.100 28.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.727 55.854 28.404 1.00 0.00 H new ATOM 1020 N GLU A 64 35.240 52.307 27.523 1.00 0.00 N ATOM 1021 CA GLU A 64 36.148 52.897 28.485 1.00 0.00 C ATOM 1022 C GLU A 64 36.814 51.907 29.444 1.00 0.00 C ATOM 1023 O GLU A 64 37.300 52.284 30.508 1.00 0.00 O ATOM 1024 CB GLU A 64 35.516 54.108 29.166 1.00 0.00 C ATOM 1025 CG GLU A 64 35.114 55.201 28.181 1.00 0.00 C ATOM 1026 CD GLU A 64 34.322 56.323 28.855 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.737 57.499 28.768 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.229 56.062 29.403 1.00 0.00 O ATOM 0 H GLU A 64 35.557 52.438 26.562 1.00 0.00 H new ATOM 0 HA GLU A 64 36.999 53.263 27.911 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.636 53.787 29.723 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.219 54.519 29.890 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.009 55.617 27.718 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.515 54.765 27.382 1.00 0.00 H new ATOM 1035 N SER A 65 36.908 50.639 29.053 1.00 0.00 N ATOM 1036 CA SER A 65 37.871 49.718 29.622 1.00 0.00 C ATOM 1037 C SER A 65 39.299 50.170 29.306 1.00 0.00 C ATOM 1038 O SER A 65 39.531 50.791 28.271 1.00 0.00 O ATOM 1039 CB SER A 65 37.669 48.303 29.090 1.00 0.00 C ATOM 1040 OG SER A 65 36.338 47.863 29.239 1.00 0.00 O ATOM 0 H SER A 65 36.316 50.227 28.332 1.00 0.00 H new ATOM 0 HA SER A 65 37.716 49.714 30.701 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.945 48.270 28.036 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.337 47.620 29.616 1.00 0.00 H new ATOM 0 HG SER A 65 35.781 48.263 28.539 1.00 0.00 H new ATOM 1046 N THR A 66 40.264 49.805 30.143 1.00 0.00 N ATOM 1047 CA THR A 66 41.682 49.968 29.887 1.00 0.00 C ATOM 1048 C THR A 66 42.375 48.605 29.872 1.00 0.00 C ATOM 1049 O THR A 66 42.087 47.757 30.713 1.00 0.00 O ATOM 1050 CB THR A 66 42.354 50.901 30.890 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.695 52.147 30.926 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.810 51.209 30.551 1.00 0.00 C ATOM 0 H THR A 66 40.069 49.374 31.047 1.00 0.00 H new ATOM 0 HA THR A 66 41.782 50.435 28.907 1.00 0.00 H new ATOM 0 HB THR A 66 42.303 50.373 31.842 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.138 52.733 31.575 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.226 51.877 31.305 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.383 50.282 30.532 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.862 51.688 29.573 1.00 0.00 H new ATOM 1060 N LEU A 67 43.285 48.391 28.926 1.00 0.00 N ATOM 1061 CA LEU A 67 44.103 47.205 28.765 1.00 0.00 C ATOM 1062 C LEU A 67 45.585 47.546 28.926 1.00 0.00 C ATOM 1063 O LEU A 67 45.974 48.707 28.819 1.00 0.00 O ATOM 1064 CB LEU A 67 43.856 46.566 27.402 1.00 0.00 C ATOM 1065 CG LEU A 67 42.462 46.009 27.123 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.445 47.061 26.690 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.561 44.987 25.994 1.00 0.00 C ATOM 0 H LEU A 67 43.479 49.089 28.208 1.00 0.00 H new ATOM 0 HA LEU A 67 43.825 46.492 29.541 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.080 47.310 26.637 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.573 45.755 27.277 1.00 0.00 H new ATOM 0 HG LEU A 67 42.114 45.579 28.062 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.481 46.584 26.512 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.339 47.810 27.475 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.787 47.542 25.774 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.572 44.580 25.784 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.952 45.470 25.099 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.230 44.179 26.292 1.00 0.00 H new ATOM 1079 N HIS A 68 46.439 46.543 29.108 1.00 0.00 N ATOM 1080 CA HIS A 68 47.879 46.708 29.087 1.00 0.00 C ATOM 1081 C HIS A 68 48.479 46.125 27.806 1.00 0.00 C ATOM 1082 O HIS A 68 48.081 45.043 27.381 1.00 0.00 O ATOM 1083 CB HIS A 68 48.536 46.080 30.313 1.00 0.00 C ATOM 1084 CG HIS A 68 47.938 46.467 31.639 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.750 45.596 32.710 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.517 47.719 32.007 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.233 46.327 33.699 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.062 47.600 33.305 1.00 0.00 N ATOM 0 H HIS A 68 46.141 45.582 29.276 1.00 0.00 H new ATOM 0 HA HIS A 68 48.081 47.779 29.110 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.486 44.996 30.215 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.592 46.352 30.317 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.537 48.615 31.405 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.986 45.948 34.680 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.664 48.351 33.869 1.00 0.00 H new ATOM 1096 N LEU A 69 49.461 46.813 27.230 1.00 0.00 N ATOM 1097 CA LEU A 69 50.269 46.333 26.127 1.00 0.00 C ATOM 1098 C LEU A 69 51.662 45.967 26.643 1.00 0.00 C ATOM 1099 O LEU A 69 52.383 46.823 27.150 1.00 0.00 O ATOM 1100 CB LEU A 69 50.305 47.393 25.030 1.00 0.00 C ATOM 1101 CG LEU A 69 51.291 47.144 23.893 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.024 45.850 23.131 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.218 48.294 22.893 1.00 0.00 C ATOM 0 H LEU A 69 49.720 47.752 27.533 1.00 0.00 H new ATOM 0 HA LEU A 69 49.838 45.431 25.692 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.305 47.482 24.605 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.543 48.353 25.487 1.00 0.00 H new ATOM 0 HG LEU A 69 52.274 47.066 24.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.762 45.736 22.337 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.094 45.004 23.815 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.025 45.884 22.696 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.923 48.115 22.081 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.208 48.361 22.489 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.471 49.228 23.394 1.00 0.00 H new ATOM 1115 N VAL A 70 52.044 44.704 26.485 1.00 0.00 N ATOM 1116 CA VAL A 70 53.318 44.144 26.889 1.00 0.00 C ATOM 1117 C VAL A 70 54.073 43.691 25.637 1.00 0.00 C ATOM 1118 O VAL A 70 53.499 43.051 24.759 1.00 0.00 O ATOM 1119 CB VAL A 70 53.105 43.005 27.882 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.418 42.367 28.330 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.387 43.484 29.139 1.00 0.00 C ATOM 0 H VAL A 70 51.437 44.011 26.048 1.00 0.00 H new ATOM 0 HA VAL A 70 53.920 44.895 27.400 1.00 0.00 H new ATOM 0 HB VAL A 70 52.501 42.271 27.349 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.210 41.563 29.036 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.941 41.963 27.463 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.042 43.119 28.812 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.253 42.646 29.823 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.981 44.258 29.625 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.413 43.891 28.869 1.00 0.00 H new ATOM 1131 N LEU A 71 55.346 44.059 25.521 1.00 0.00 N ATOM 1132 CA LEU A 71 56.164 43.797 24.355 1.00 0.00 C ATOM 1133 C LEU A 71 57.169 42.666 24.589 1.00 0.00 C ATOM 1134 O LEU A 71 57.676 42.490 25.693 1.00 0.00 O ATOM 1135 CB LEU A 71 56.862 45.076 23.903 1.00 0.00 C ATOM 1136 CG LEU A 71 55.958 46.283 23.664 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.778 47.448 23.117 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.823 45.995 22.685 1.00 0.00 C ATOM 0 H LEU A 71 55.844 44.560 26.257 1.00 0.00 H new ATOM 0 HA LEU A 71 55.502 43.459 23.558 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.604 45.346 24.654 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.404 44.864 22.981 1.00 0.00 H new ATOM 0 HG LEU A 71 55.516 46.530 24.629 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.126 48.305 22.949 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.553 47.717 23.835 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.242 47.156 22.175 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.216 46.892 22.557 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.239 45.698 21.722 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.202 45.189 23.075 1.00 0.00 H new ATOM 1150 N ARG A 72 57.501 41.930 23.532 1.00 0.00 N ATOM 1151 CA ARG A 72 58.612 41.000 23.512 1.00 0.00 C ATOM 1152 C ARG A 72 59.903 41.750 23.181 1.00 0.00 C ATOM 1153 O ARG A 72 59.973 42.425 22.156 1.00 0.00 O ATOM 1154 CB ARG A 72 58.332 39.862 22.535 1.00 0.00 C ATOM 1155 CG ARG A 72 57.016 39.133 22.796 1.00 0.00 C ATOM 1156 CD ARG A 72 56.798 37.985 21.815 1.00 0.00 C ATOM 1157 NE ARG A 72 55.406 37.533 21.802 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.815 36.680 22.650 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.455 36.105 23.677 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.510 36.418 22.494 1.00 0.00 N ATOM 0 H ARG A 72 56.991 41.969 22.650 1.00 0.00 H new ATOM 0 HA ARG A 72 58.736 40.549 24.496 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.320 40.261 21.521 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.150 39.144 22.585 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.011 38.746 23.815 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.189 39.838 22.719 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.085 38.305 20.813 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.448 37.151 22.082 1.00 0.00 H new ATOM 0 HE ARG A 72 54.817 37.912 21.061 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.440 36.310 23.843 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.957 35.462 24.293 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.987 36.865 21.741 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.040 35.772 23.128 1.00 0.00 H new ATOM 1174 N LEU A 73 60.914 41.648 24.038 1.00 0.00 N ATOM 1175 CA LEU A 73 62.219 42.254 23.859 1.00 0.00 C ATOM 1176 C LEU A 73 63.255 41.167 23.565 1.00 0.00 C ATOM 1177 O LEU A 73 63.714 40.474 24.472 1.00 0.00 O ATOM 1178 CB LEU A 73 62.611 43.077 25.082 1.00 0.00 C ATOM 1179 CG LEU A 73 62.030 44.486 25.163 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.551 44.518 25.535 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.811 45.272 26.213 1.00 0.00 C ATOM 0 H LEU A 73 60.839 41.120 24.907 1.00 0.00 H new ATOM 0 HA LEU A 73 62.180 42.936 23.010 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.307 42.530 25.974 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.698 43.153 25.109 1.00 0.00 H new ATOM 0 HG LEU A 73 62.117 44.924 24.169 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.208 45.552 25.573 1.00 0.00 H new ATOM 0 HD12 LEU A 73 59.976 43.972 24.787 1.00 0.00 H new ATOM 0 HD13 LEU A 73 60.411 44.053 26.511 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.409 46.283 26.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.721 44.777 27.180 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.861 45.319 25.926 1.00 0.00 H new ATOM 1193 N ARG A 74 63.587 40.988 22.290 1.00 0.00 N ATOM 1194 CA ARG A 74 64.454 39.943 21.782 1.00 0.00 C ATOM 1195 C ARG A 74 65.685 40.474 21.047 1.00 0.00 C ATOM 1196 O ARG A 74 66.310 39.729 20.294 1.00 0.00 O ATOM 1197 CB ARG A 74 63.654 38.963 20.928 1.00 0.00 C ATOM 1198 CG ARG A 74 62.301 38.479 21.443 1.00 0.00 C ATOM 1199 CD ARG A 74 62.270 37.862 22.837 1.00 0.00 C ATOM 1200 NE ARG A 74 63.237 36.777 23.010 1.00 0.00 N ATOM 1201 CZ ARG A 74 64.226 36.682 23.909 1.00 0.00 C ATOM 1202 NH1 ARG A 74 64.562 37.664 24.756 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.926 35.540 23.944 1.00 0.00 N ATOM 0 H ARG A 74 63.239 41.600 21.552 1.00 0.00 H new ATOM 0 HA ARG A 74 64.851 39.410 22.646 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.491 39.428 19.956 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.278 38.085 20.760 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.612 39.324 21.431 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.914 37.743 20.738 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.469 38.639 23.575 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.268 37.482 23.037 1.00 0.00 H new ATOM 0 HE ARG A 74 63.146 35.993 22.364 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.053 38.548 24.740 1.00 0.00 H new ATOM 0 HH12 ARG A 74 65.326 37.528 25.417 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.698 34.782 23.300 1.00 0.00 H new ATOM 0 HH22 ARG A 74 65.687 35.429 24.614 1.00 0.00 H new ATOM 1217 N GLY A 75 66.047 41.739 21.238 1.00 0.00 N ATOM 1218 CA GLY A 75 67.106 42.417 20.517 1.00 0.00 C ATOM 1219 C GLY A 75 68.533 41.960 20.827 1.00 0.00 C ATOM 1220 O GLY A 75 69.438 42.246 20.046 1.00 0.00 O ATOM 0 H GLY A 75 65.590 42.338 21.926 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.930 42.289 19.449 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.035 43.484 20.727 1.00 0.00 H new ATOM 1224 N GLY A 76 68.739 41.230 21.920 1.00 0.00 N ATOM 1225 CA GLY A 76 69.976 40.573 22.290 1.00 0.00 C ATOM 1226 C GLY A 76 71.056 41.497 22.858 1.00 0.00 C ATOM 1227 O GLY A 76 70.760 42.277 23.789 1.00 0.00 O ATOM 1228 OXT GLY A 76 72.210 41.352 22.402 1.00 0.00 O ATOM 0 H GLY A 76 68.000 41.076 22.606 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.754 39.803 23.028 1.00 0.00 H new ATOM 0 HA3 GLY A 76 70.377 40.067 21.412 1.00 0.00 H new TER 1232 GLY A 76