USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 55 THR OG1 : rot 115:sc= 1.26 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.05 USER MOD Set 3.1: A 7 THR OG1 : rot -62:sc= 1.15 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= -0.119 (180deg=-1.2!) USER MOD Single : A 2 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.72) 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 -77:sc= 0.0347 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= 1.25 (180deg=-0.191) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= 0.633 (180deg=0.122) USER MOD Single : A 31 GLN : amide:sc= -0.46 K(o=-0.46,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ -127:sc= -4.27! (180deg=-9.56!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0512 F(o=-1.5!,f=-0.051) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.64 F(o=-7,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 68 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.661 26.713 -0.276 1.00 0.00 N ATOM 2 CA MET A 1 27.688 27.286 0.698 1.00 0.00 C ATOM 3 C MET A 1 28.438 28.131 1.720 1.00 0.00 C ATOM 4 O MET A 1 29.669 28.129 1.754 1.00 0.00 O ATOM 5 CB MET A 1 26.940 26.150 1.399 1.00 0.00 C ATOM 6 CG MET A 1 27.928 25.270 2.175 1.00 0.00 C ATOM 7 SD MET A 1 28.267 26.023 3.784 1.00 0.00 S ATOM 8 CE MET A 1 28.659 24.495 4.671 1.00 0.00 C ATOM 0 H1 MET A 1 28.455 25.704 -0.420 1.00 0.00 H new ATOM 0 H2 MET A 1 28.581 27.215 -1.183 1.00 0.00 H new ATOM 0 H3 MET A 1 29.627 26.820 0.094 1.00 0.00 H new ATOM 0 HA MET A 1 26.967 27.915 0.175 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.194 26.561 2.080 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.404 25.549 0.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.514 24.270 2.309 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.854 25.159 1.611 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.904 24.728 5.707 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.798 23.827 4.643 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.512 24.008 4.198 1.00 0.00 H new ATOM 20 N GLN A 2 27.691 28.849 2.561 1.00 0.00 N ATOM 21 CA GLN A 2 28.299 29.693 3.587 1.00 0.00 C ATOM 22 C GLN A 2 27.414 29.744 4.829 1.00 0.00 C ATOM 23 O GLN A 2 26.192 29.863 4.727 1.00 0.00 O ATOM 24 CB GLN A 2 28.501 31.106 3.043 1.00 0.00 C ATOM 25 CG GLN A 2 27.152 31.682 2.607 1.00 0.00 C ATOM 26 CD GLN A 2 27.361 33.017 1.901 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.672 33.992 2.200 1.00 0.00 O ATOM 28 NE2 GLN A 2 28.277 33.120 0.978 1.00 0.00 N ATOM 0 H GLN A 2 26.671 28.862 2.551 1.00 0.00 H new ATOM 0 HA GLN A 2 29.265 29.267 3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.950 31.741 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.190 31.087 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.647 30.983 1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.507 31.817 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.847 32.310 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 2 28.424 34.010 0.502 1.00 0.00 H new ATOM 37 N ILE A 3 28.038 29.648 6.003 1.00 0.00 N ATOM 38 CA ILE A 3 27.300 29.681 7.266 1.00 0.00 C ATOM 39 C ILE A 3 27.378 31.069 7.902 1.00 0.00 C ATOM 40 O ILE A 3 28.376 31.776 7.764 1.00 0.00 O ATOM 41 CB ILE A 3 27.866 28.640 8.236 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.310 29.000 8.621 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.854 27.261 7.567 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.807 28.031 9.693 1.00 0.00 C ATOM 0 H ILE A 3 29.048 29.547 6.106 1.00 0.00 H new ATOM 0 HA ILE A 3 26.256 29.449 7.056 1.00 0.00 H new ATOM 0 HB ILE A 3 27.250 28.624 9.135 1.00 0.00 H new ATOM 0 HG12 ILE A 3 29.955 28.951 7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.354 30.024 8.992 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.257 26.519 8.256 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.831 26.994 7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.466 27.289 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.831 28.285 9.967 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.168 28.103 10.573 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.777 27.013 9.305 1.00 0.00 H new ATOM 56 N PHE A 4 26.313 31.452 8.594 1.00 0.00 N ATOM 57 CA PHE A 4 26.250 32.757 9.251 1.00 0.00 C ATOM 58 C PHE A 4 26.645 32.640 10.720 1.00 0.00 C ATOM 59 O PHE A 4 26.132 31.778 11.434 1.00 0.00 O ATOM 60 CB PHE A 4 24.828 33.309 9.159 1.00 0.00 C ATOM 61 CG PHE A 4 24.410 33.402 7.712 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.741 32.330 7.111 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.681 34.560 6.974 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.344 32.414 5.771 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.285 34.645 5.634 1.00 0.00 C ATOM 66 CZ PHE A 4 23.615 33.572 5.032 1.00 0.00 C ATOM 0 H PHE A 4 25.478 30.879 8.717 1.00 0.00 H new ATOM 0 HA PHE A 4 26.946 33.430 8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.141 32.663 9.705 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.779 34.293 9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.531 31.437 7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.196 35.388 7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.829 31.586 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.496 35.538 5.064 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.308 33.638 3.999 1.00 0.00 H new ATOM 76 N VAL A 5 27.542 33.518 11.182 1.00 0.00 N ATOM 77 CA VAL A 5 27.980 33.511 12.580 1.00 0.00 C ATOM 78 C VAL A 5 27.508 34.778 13.276 1.00 0.00 C ATOM 79 O VAL A 5 27.545 35.869 12.705 1.00 0.00 O ATOM 80 CB VAL A 5 29.504 33.395 12.664 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.960 33.620 14.111 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.908 31.985 12.232 1.00 0.00 C ATOM 0 H VAL A 5 27.977 34.241 10.609 1.00 0.00 H new ATOM 0 HA VAL A 5 27.542 32.647 13.081 1.00 0.00 H new ATOM 0 HB VAL A 5 29.967 34.141 12.018 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.045 33.537 14.168 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.655 34.614 14.438 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.504 32.869 14.757 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.992 31.885 12.286 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.443 31.254 12.894 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.578 31.810 11.208 1.00 0.00 H new ATOM 92 N LYS A 6 27.064 34.618 14.515 1.00 0.00 N ATOM 93 CA LYS A 6 26.569 35.734 15.308 1.00 0.00 C ATOM 94 C LYS A 6 27.453 35.944 16.538 1.00 0.00 C ATOM 95 O LYS A 6 27.418 35.150 17.479 1.00 0.00 O ATOM 96 CB LYS A 6 25.140 35.406 15.727 1.00 0.00 C ATOM 97 CG LYS A 6 24.499 36.603 16.411 1.00 0.00 C ATOM 98 CD LYS A 6 23.046 36.252 16.735 1.00 0.00 C ATOM 99 CE LYS A 6 22.379 37.404 17.486 1.00 0.00 C ATOM 100 NZ LYS A 6 20.974 37.026 17.816 1.00 0.00 N ATOM 0 H LYS A 6 27.037 33.719 14.995 1.00 0.00 H new ATOM 0 HA LYS A 6 26.590 36.655 14.725 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.554 35.122 14.853 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.140 34.550 16.402 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.041 36.854 17.323 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.542 37.478 15.763 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.501 36.044 15.814 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.009 35.345 17.339 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.932 37.628 18.398 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.392 38.307 16.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.515 37.807 18.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.451 36.833 16.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.975 36.174 18.413 1.00 0.00 H new ATOM 114 N THR A 7 28.251 37.011 16.517 1.00 0.00 N ATOM 115 CA THR A 7 29.146 37.311 17.637 1.00 0.00 C ATOM 116 C THR A 7 28.344 37.849 18.821 1.00 0.00 C ATOM 117 O THR A 7 27.184 38.232 18.670 1.00 0.00 O ATOM 118 CB THR A 7 30.202 38.333 17.211 1.00 0.00 C ATOM 119 OG1 THR A 7 29.574 39.571 16.919 1.00 0.00 O ATOM 120 CG2 THR A 7 30.945 37.822 15.970 1.00 0.00 C ATOM 0 H THR A 7 28.297 37.677 15.746 1.00 0.00 H new ATOM 0 HA THR A 7 29.648 36.392 17.939 1.00 0.00 H new ATOM 0 HB THR A 7 30.916 38.474 18.022 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.953 39.454 16.170 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.696 38.552 15.669 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.432 36.875 16.202 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.235 37.675 15.156 1.00 0.00 H new ATOM 128 N LEU A 8 28.957 37.896 20.004 1.00 0.00 N ATOM 129 CA LEU A 8 28.258 38.395 21.182 1.00 0.00 C ATOM 130 C LEU A 8 28.069 39.906 21.114 1.00 0.00 C ATOM 131 O LEU A 8 27.114 40.442 21.675 1.00 0.00 O ATOM 132 CB LEU A 8 29.045 38.030 22.453 1.00 0.00 C ATOM 133 CG LEU A 8 28.345 38.604 23.699 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.884 38.126 23.753 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.081 38.139 24.961 1.00 0.00 C ATOM 0 H LEU A 8 29.919 37.600 20.168 1.00 0.00 H new ATOM 0 HA LEU A 8 27.274 37.927 21.212 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.126 36.947 22.540 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.060 38.421 22.385 1.00 0.00 H new ATOM 0 HG LEU A 8 28.362 39.693 23.645 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.399 38.538 24.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.357 38.464 22.860 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.859 37.037 23.799 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.585 38.546 25.842 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.070 37.050 25.008 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.112 38.490 24.931 1.00 0.00 H new ATOM 147 N THR A 9 28.983 40.592 20.440 1.00 0.00 N ATOM 148 CA THR A 9 28.893 42.042 20.332 1.00 0.00 C ATOM 149 C THR A 9 27.728 42.437 19.433 1.00 0.00 C ATOM 150 O THR A 9 27.443 43.622 19.259 1.00 0.00 O ATOM 151 CB THR A 9 30.195 42.616 19.771 1.00 0.00 C ATOM 152 OG1 THR A 9 30.479 42.007 18.520 1.00 0.00 O ATOM 153 CG2 THR A 9 31.340 42.342 20.748 1.00 0.00 C ATOM 0 H THR A 9 29.784 40.175 19.966 1.00 0.00 H new ATOM 0 HA THR A 9 28.725 42.450 21.329 1.00 0.00 H new ATOM 0 HB THR A 9 30.089 43.692 19.635 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.312 42.375 18.159 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.267 42.752 20.346 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.121 42.812 21.707 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.449 41.267 20.888 1.00 0.00 H new ATOM 161 N GLY A 10 27.053 41.438 18.864 1.00 0.00 N ATOM 162 CA GLY A 10 25.918 41.701 17.987 1.00 0.00 C ATOM 163 C GLY A 10 26.381 41.942 16.558 1.00 0.00 C ATOM 164 O GLY A 10 25.598 42.361 15.706 1.00 0.00 O ATOM 0 H GLY A 10 27.271 40.450 18.994 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.230 40.856 18.013 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.369 42.571 18.347 1.00 0.00 H new ATOM 168 N LYS A 11 27.652 41.646 16.289 1.00 0.00 N ATOM 169 CA LYS A 11 28.198 41.801 14.943 1.00 0.00 C ATOM 170 C LYS A 11 28.075 40.484 14.186 1.00 0.00 C ATOM 171 O LYS A 11 28.727 39.500 14.532 1.00 0.00 O ATOM 172 CB LYS A 11 29.668 42.226 15.010 1.00 0.00 C ATOM 173 CG LYS A 11 29.760 43.679 15.482 1.00 0.00 C ATOM 174 CD LYS A 11 31.213 44.156 15.400 1.00 0.00 C ATOM 175 CE LYS A 11 31.296 45.624 15.826 1.00 0.00 C ATOM 176 NZ LYS A 11 32.703 46.099 15.701 1.00 0.00 N ATOM 0 H LYS A 11 28.318 41.300 16.980 1.00 0.00 H new ATOM 0 HA LYS A 11 27.634 42.574 14.420 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.215 41.576 15.693 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.133 42.121 14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.123 44.313 14.865 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.397 43.763 16.506 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.844 43.544 16.044 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.588 44.040 14.383 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.639 46.232 15.204 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.953 45.735 16.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.760 47.096 15.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.319 45.526 16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.014 46.007 14.713 1.00 0.00 H new ATOM 190 N THR A 12 27.234 40.465 13.160 1.00 0.00 N ATOM 191 CA THR A 12 27.033 39.255 12.366 1.00 0.00 C ATOM 192 C THR A 12 27.964 39.257 11.160 1.00 0.00 C ATOM 193 O THR A 12 27.983 40.213 10.384 1.00 0.00 O ATOM 194 CB THR A 12 25.583 39.188 11.886 1.00 0.00 C ATOM 195 OG1 THR A 12 24.718 39.128 13.011 1.00 0.00 O ATOM 196 CG2 THR A 12 25.385 37.940 11.019 1.00 0.00 C ATOM 0 H THR A 12 26.682 41.268 12.858 1.00 0.00 H new ATOM 0 HA THR A 12 27.254 38.387 12.987 1.00 0.00 H new ATOM 0 HB THR A 12 25.353 40.075 11.296 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.787 39.087 12.706 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.351 37.894 10.678 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.050 37.987 10.156 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.613 37.050 11.605 1.00 0.00 H new ATOM 204 N ILE A 13 28.726 38.176 10.997 1.00 0.00 N ATOM 205 CA ILE A 13 29.652 38.058 9.866 1.00 0.00 C ATOM 206 C ILE A 13 29.548 36.672 9.249 1.00 0.00 C ATOM 207 O ILE A 13 29.460 35.669 9.958 1.00 0.00 O ATOM 208 CB ILE A 13 31.089 38.307 10.325 1.00 0.00 C ATOM 209 CG1 ILE A 13 31.375 37.472 11.574 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.271 39.795 10.637 1.00 0.00 C ATOM 211 CD1 ILE A 13 32.778 37.784 12.092 1.00 0.00 C ATOM 0 H ILE A 13 28.723 37.374 11.627 1.00 0.00 H new ATOM 0 HA ILE A 13 29.383 38.806 9.120 1.00 0.00 H new ATOM 0 HB ILE A 13 31.784 38.019 9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.636 37.689 12.345 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.291 36.411 11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.295 39.975 10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.068 40.382 9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 13 30.580 40.088 11.427 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.978 37.187 12.982 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.512 37.545 11.322 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.846 38.843 12.342 1.00 0.00 H new ATOM 223 N THR A 14 29.526 36.626 7.921 1.00 0.00 N ATOM 224 CA THR A 14 29.392 35.357 7.212 1.00 0.00 C ATOM 225 C THR A 14 30.733 34.637 7.104 1.00 0.00 C ATOM 226 O THR A 14 31.788 35.261 6.984 1.00 0.00 O ATOM 227 CB THR A 14 28.818 35.605 5.814 1.00 0.00 C ATOM 228 OG1 THR A 14 27.636 36.387 5.928 1.00 0.00 O ATOM 229 CG2 THR A 14 28.478 34.266 5.146 1.00 0.00 C ATOM 0 H THR A 14 29.599 37.445 7.317 1.00 0.00 H new ATOM 0 HA THR A 14 28.713 34.720 7.779 1.00 0.00 H new ATOM 0 HB THR A 14 29.555 36.132 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.896 35.819 6.228 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.070 34.449 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.381 33.661 5.062 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.741 33.735 5.749 1.00 0.00 H new ATOM 237 N LEU A 15 30.665 33.308 7.172 1.00 0.00 N ATOM 238 CA LEU A 15 31.847 32.450 7.109 1.00 0.00 C ATOM 239 C LEU A 15 31.753 31.487 5.921 1.00 0.00 C ATOM 240 O LEU A 15 30.750 30.791 5.751 1.00 0.00 O ATOM 241 CB LEU A 15 31.934 31.645 8.429 1.00 0.00 C ATOM 242 CG LEU A 15 33.372 31.617 8.975 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.678 32.938 9.685 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.516 30.461 9.974 1.00 0.00 C ATOM 0 H LEU A 15 29.789 32.796 7.272 1.00 0.00 H new ATOM 0 HA LEU A 15 32.738 33.065 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.270 32.088 9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.588 30.626 8.259 1.00 0.00 H new ATOM 0 HG LEU A 15 34.069 31.478 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.697 32.916 10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.575 33.763 8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.980 33.077 10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.534 30.440 10.362 1.00 0.00 H new ATOM 0 HD22 LEU A 15 32.817 30.603 10.798 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.299 29.518 9.473 1.00 0.00 H new ATOM 256 N GLU A 16 32.814 31.428 5.131 1.00 0.00 N ATOM 257 CA GLU A 16 32.857 30.516 3.988 1.00 0.00 C ATOM 258 C GLU A 16 33.570 29.237 4.411 1.00 0.00 C ATOM 259 O GLU A 16 34.715 29.282 4.861 1.00 0.00 O ATOM 260 CB GLU A 16 33.605 31.162 2.815 1.00 0.00 C ATOM 261 CG GLU A 16 33.473 30.273 1.575 1.00 0.00 C ATOM 262 CD GLU A 16 34.023 30.998 0.351 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.342 32.169 0.476 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.117 30.373 -0.693 1.00 0.00 O ATOM 0 H GLU A 16 33.653 31.994 5.255 1.00 0.00 H new ATOM 0 HA GLU A 16 31.841 30.291 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.198 32.152 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.656 31.296 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.014 29.339 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.427 30.013 1.414 1.00 0.00 H new ATOM 271 N VAL A 17 32.895 28.099 4.268 1.00 0.00 N ATOM 272 CA VAL A 17 33.488 26.817 4.652 1.00 0.00 C ATOM 273 C VAL A 17 32.933 25.684 3.802 1.00 0.00 C ATOM 274 O VAL A 17 31.929 25.826 3.104 1.00 0.00 O ATOM 275 CB VAL A 17 33.238 26.550 6.152 1.00 0.00 C ATOM 276 CG1 VAL A 17 31.787 26.889 6.520 1.00 0.00 C ATOM 277 CG2 VAL A 17 33.500 25.082 6.529 1.00 0.00 C ATOM 0 H VAL A 17 31.948 28.036 3.894 1.00 0.00 H new ATOM 0 HA VAL A 17 34.563 26.865 4.478 1.00 0.00 H new ATOM 0 HB VAL A 17 33.932 27.185 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.626 26.696 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.595 27.941 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.109 26.271 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.312 24.940 7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 17 32.838 24.435 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 17 34.537 24.829 6.307 1.00 0.00 H new ATOM 287 N GLU A 18 33.605 24.555 3.904 1.00 0.00 N ATOM 288 CA GLU A 18 33.205 23.342 3.182 1.00 0.00 C ATOM 289 C GLU A 18 32.326 22.472 4.096 1.00 0.00 C ATOM 290 O GLU A 18 32.639 22.316 5.275 1.00 0.00 O ATOM 291 CB GLU A 18 34.435 22.545 2.749 1.00 0.00 C ATOM 292 CG GLU A 18 35.436 23.489 2.083 1.00 0.00 C ATOM 293 CD GLU A 18 36.559 22.686 1.438 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.607 21.488 1.661 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.354 23.281 0.730 1.00 0.00 O ATOM 0 H GLU A 18 34.438 24.442 4.482 1.00 0.00 H new ATOM 0 HA GLU A 18 32.645 23.630 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.892 22.061 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.146 21.755 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.932 24.095 1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.847 24.177 2.822 1.00 0.00 H new ATOM 302 N PRO A 19 31.242 21.907 3.608 1.00 0.00 N ATOM 303 CA PRO A 19 30.343 21.067 4.463 1.00 0.00 C ATOM 304 C PRO A 19 31.041 19.808 4.973 1.00 0.00 C ATOM 305 O PRO A 19 30.488 19.067 5.785 1.00 0.00 O ATOM 306 CB PRO A 19 29.161 20.727 3.535 1.00 0.00 C ATOM 307 CG PRO A 19 29.707 20.863 2.151 1.00 0.00 C ATOM 308 CD PRO A 19 30.749 21.978 2.218 1.00 0.00 C ATOM 0 HA PRO A 19 30.031 21.589 5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.794 19.717 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.323 21.405 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.156 19.928 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.917 21.109 1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.553 21.820 1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.310 22.951 1.997 1.00 0.00 H new ATOM 316 N SER A 20 32.261 19.575 4.497 1.00 0.00 N ATOM 317 CA SER A 20 33.031 18.404 4.915 1.00 0.00 C ATOM 318 C SER A 20 34.007 18.778 6.026 1.00 0.00 C ATOM 319 O SER A 20 34.347 17.948 6.869 1.00 0.00 O ATOM 320 CB SER A 20 33.799 17.835 3.724 1.00 0.00 C ATOM 321 OG SER A 20 34.729 18.803 3.259 1.00 0.00 O ATOM 0 H SER A 20 32.737 20.177 3.825 1.00 0.00 H new ATOM 0 HA SER A 20 32.341 17.650 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.321 16.923 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.107 17.566 2.926 1.00 0.00 H new ATOM 0 HG SER A 20 35.225 18.440 2.496 1.00 0.00 H new ATOM 327 N ASP A 21 34.457 20.031 6.022 1.00 0.00 N ATOM 328 CA ASP A 21 35.385 20.502 7.027 1.00 0.00 C ATOM 329 C ASP A 21 34.876 20.179 8.426 1.00 0.00 C ATOM 330 O ASP A 21 33.666 20.179 8.682 1.00 0.00 O ATOM 331 CB ASP A 21 35.561 22.018 6.879 1.00 0.00 C ATOM 332 CG ASP A 21 36.433 22.340 5.670 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.958 21.411 5.079 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.557 23.510 5.351 1.00 0.00 O ATOM 0 H ASP A 21 34.190 20.732 5.331 1.00 0.00 H new ATOM 0 HA ASP A 21 36.342 20.000 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.587 22.494 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.015 22.427 7.781 1.00 0.00 H new ATOM 339 N THR A 22 35.810 19.912 9.333 1.00 0.00 N ATOM 340 CA THR A 22 35.453 19.597 10.705 1.00 0.00 C ATOM 341 C THR A 22 35.187 20.876 11.493 1.00 0.00 C ATOM 342 O THR A 22 35.307 21.991 10.970 1.00 0.00 O ATOM 343 CB THR A 22 36.571 18.795 11.378 1.00 0.00 C ATOM 344 OG1 THR A 22 37.744 19.592 11.453 1.00 0.00 O ATOM 345 CG2 THR A 22 36.856 17.532 10.562 1.00 0.00 C ATOM 0 H THR A 22 36.812 19.908 9.142 1.00 0.00 H new ATOM 0 HA THR A 22 34.545 18.994 10.692 1.00 0.00 H new ATOM 0 HB THR A 22 36.262 18.511 12.384 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.460 19.081 11.885 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.652 16.961 11.041 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.954 16.922 10.508 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.166 17.812 9.555 1.00 0.00 H new ATOM 353 N ILE A 23 34.848 20.714 12.760 1.00 0.00 N ATOM 354 CA ILE A 23 34.591 21.874 13.603 1.00 0.00 C ATOM 355 C ILE A 23 35.907 22.571 13.925 1.00 0.00 C ATOM 356 O ILE A 23 36.019 23.790 13.800 1.00 0.00 O ATOM 357 CB ILE A 23 33.875 21.458 14.892 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.751 20.472 14.558 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.275 22.691 15.572 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.893 21.015 13.407 1.00 0.00 C ATOM 0 H ILE A 23 34.745 19.811 13.223 1.00 0.00 H new ATOM 0 HA ILE A 23 33.942 22.566 13.066 1.00 0.00 H new ATOM 0 HB ILE A 23 34.593 20.985 15.563 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.175 19.507 14.281 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.129 20.307 15.438 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.767 22.390 16.488 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.070 23.397 15.813 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.560 23.166 14.900 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.098 20.305 13.179 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.455 21.969 13.699 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.516 21.157 12.524 1.00 0.00 H new ATOM 372 N GLU A 24 36.913 21.789 14.311 1.00 0.00 N ATOM 373 CA GLU A 24 38.227 22.351 14.619 1.00 0.00 C ATOM 374 C GLU A 24 38.625 23.357 13.545 1.00 0.00 C ATOM 375 O GLU A 24 39.391 24.288 13.794 1.00 0.00 O ATOM 376 CB GLU A 24 39.275 21.238 14.690 1.00 0.00 C ATOM 377 CG GLU A 24 38.732 20.066 15.510 1.00 0.00 C ATOM 378 CD GLU A 24 38.209 20.563 16.854 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.047 20.929 16.917 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.978 20.571 17.801 1.00 0.00 O ATOM 0 H GLU A 24 36.846 20.777 14.417 1.00 0.00 H new ATOM 0 HA GLU A 24 38.175 22.853 15.585 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.531 20.903 13.685 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.191 21.617 15.143 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.932 19.568 14.962 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.518 19.327 15.668 1.00 0.00 H new ATOM 387 N ASN A 25 38.067 23.174 12.354 1.00 0.00 N ATOM 388 CA ASN A 25 38.342 24.084 11.251 1.00 0.00 C ATOM 389 C ASN A 25 37.554 25.371 11.454 1.00 0.00 C ATOM 390 O ASN A 25 38.131 26.452 11.573 1.00 0.00 O ATOM 391 CB ASN A 25 37.959 23.447 9.913 1.00 0.00 C ATOM 392 CG ASN A 25 38.604 24.224 8.769 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.827 24.359 8.721 1.00 0.00 O ATOM 394 ND2 ASN A 25 37.852 24.750 7.842 1.00 0.00 N ATOM 0 H ASN A 25 37.428 22.412 12.129 1.00 0.00 H new ATOM 0 HA ASN A 25 39.410 24.303 11.232 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.285 22.407 9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.875 23.444 9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.277 25.274 7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.839 24.638 7.882 1.00 0.00 H new ATOM 401 N VAL A 26 36.230 25.248 11.489 1.00 0.00 N ATOM 402 CA VAL A 26 35.373 26.416 11.681 1.00 0.00 C ATOM 403 C VAL A 26 35.883 27.262 12.836 1.00 0.00 C ATOM 404 O VAL A 26 35.691 28.480 12.872 1.00 0.00 O ATOM 405 CB VAL A 26 33.945 25.967 11.968 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.065 27.185 12.251 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.416 25.225 10.754 1.00 0.00 C ATOM 0 H VAL A 26 35.731 24.364 11.388 1.00 0.00 H new ATOM 0 HA VAL A 26 35.390 27.015 10.770 1.00 0.00 H new ATOM 0 HB VAL A 26 33.931 25.313 12.840 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.046 26.858 12.455 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.454 27.722 13.116 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.067 27.845 11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.394 24.897 10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.429 25.887 9.888 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.044 24.357 10.556 1.00 0.00 H new ATOM 417 N LYS A 27 36.558 26.604 13.762 1.00 0.00 N ATOM 418 CA LYS A 27 37.124 27.291 14.912 1.00 0.00 C ATOM 419 C LYS A 27 38.309 28.132 14.472 1.00 0.00 C ATOM 420 O LYS A 27 38.402 29.317 14.791 1.00 0.00 O ATOM 421 CB LYS A 27 37.581 26.270 15.959 1.00 0.00 C ATOM 422 CG LYS A 27 36.362 25.557 16.555 1.00 0.00 C ATOM 423 CD LYS A 27 36.749 24.879 17.873 1.00 0.00 C ATOM 424 CE LYS A 27 35.498 24.293 18.531 1.00 0.00 C ATOM 425 NZ LYS A 27 35.868 23.662 19.829 1.00 0.00 N ATOM 0 H LYS A 27 36.728 25.598 13.742 1.00 0.00 H new ATOM 0 HA LYS A 27 36.363 27.937 15.350 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.252 25.543 15.502 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.143 26.771 16.748 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.558 26.273 16.726 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.983 24.815 15.852 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.479 24.091 17.688 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.220 25.600 18.541 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.759 25.077 18.693 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.040 23.554 17.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.685 22.639 19.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.877 23.825 20.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.300 24.081 20.593 1.00 0.00 H new ATOM 439 N ALA A 28 39.210 27.503 13.734 1.00 0.00 N ATOM 440 CA ALA A 28 40.396 28.185 13.244 1.00 0.00 C ATOM 441 C ALA A 28 40.011 29.454 12.484 1.00 0.00 C ATOM 442 O ALA A 28 40.720 30.459 12.542 1.00 0.00 O ATOM 443 CB ALA A 28 41.167 27.240 12.323 1.00 0.00 C ATOM 0 H ALA A 28 39.142 26.522 13.462 1.00 0.00 H new ATOM 0 HA ALA A 28 41.021 28.471 14.090 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.059 27.743 11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.458 26.348 12.878 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.534 26.954 11.483 1.00 0.00 H new ATOM 449 N LYS A 29 38.879 29.404 11.790 1.00 0.00 N ATOM 450 CA LYS A 29 38.413 30.566 11.044 1.00 0.00 C ATOM 451 C LYS A 29 38.042 31.694 12.009 1.00 0.00 C ATOM 452 O LYS A 29 38.678 32.749 12.021 1.00 0.00 O ATOM 453 CB LYS A 29 37.205 30.191 10.174 1.00 0.00 C ATOM 454 CG LYS A 29 37.693 29.557 8.863 1.00 0.00 C ATOM 455 CD LYS A 29 36.569 28.739 8.241 1.00 0.00 C ATOM 456 CE LYS A 29 37.040 28.149 6.910 1.00 0.00 C ATOM 457 NZ LYS A 29 37.257 29.251 5.930 1.00 0.00 N ATOM 0 H LYS A 29 38.275 28.584 11.729 1.00 0.00 H new ATOM 0 HA LYS A 29 39.216 30.910 10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.561 29.494 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.608 31.078 9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.017 30.334 8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.557 28.920 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.269 27.940 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.693 29.368 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.964 27.589 7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.298 27.448 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 36.505 29.230 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.238 30.165 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.180 29.128 5.468 1.00 0.00 H new ATOM 471 N ILE A 30 36.998 31.470 12.801 1.00 0.00 N ATOM 472 CA ILE A 30 36.536 32.465 13.750 1.00 0.00 C ATOM 473 C ILE A 30 37.696 33.002 14.596 1.00 0.00 C ATOM 474 O ILE A 30 37.736 34.190 14.917 1.00 0.00 O ATOM 475 CB ILE A 30 35.466 31.828 14.644 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.173 31.643 13.841 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.184 32.728 15.845 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.241 30.688 14.590 1.00 0.00 C ATOM 0 H ILE A 30 36.458 30.605 12.801 1.00 0.00 H new ATOM 0 HA ILE A 30 36.111 33.310 13.209 1.00 0.00 H new ATOM 0 HB ILE A 30 35.827 30.861 14.994 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.683 32.605 13.693 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.400 31.246 12.852 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.423 32.267 16.474 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.099 32.862 16.422 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.829 33.698 15.497 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.321 30.556 14.020 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.733 29.723 14.715 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.004 31.104 15.569 1.00 0.00 H new ATOM 490 N GLN A 31 38.625 32.125 14.960 1.00 0.00 N ATOM 491 CA GLN A 31 39.765 32.536 15.774 1.00 0.00 C ATOM 492 C GLN A 31 40.551 33.643 15.079 1.00 0.00 C ATOM 493 O GLN A 31 40.698 34.747 15.603 1.00 0.00 O ATOM 494 CB GLN A 31 40.689 31.342 16.031 1.00 0.00 C ATOM 495 CG GLN A 31 41.872 31.784 16.901 1.00 0.00 C ATOM 496 CD GLN A 31 42.702 30.572 17.312 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.325 29.435 17.029 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.818 30.749 17.965 1.00 0.00 N ATOM 0 H GLN A 31 38.613 31.137 14.709 1.00 0.00 H new ATOM 0 HA GLN A 31 39.386 32.913 16.724 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.138 30.543 16.528 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.051 30.939 15.085 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.494 32.491 16.351 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.508 32.303 17.788 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.128 31.692 18.198 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.380 29.944 18.242 1.00 0.00 H new ATOM 507 N ASP A 32 41.066 33.317 13.908 1.00 0.00 N ATOM 508 CA ASP A 32 41.863 34.268 13.141 1.00 0.00 C ATOM 509 C ASP A 32 41.147 35.614 12.977 1.00 0.00 C ATOM 510 O ASP A 32 41.792 36.662 12.979 1.00 0.00 O ATOM 511 CB ASP A 32 42.190 33.686 11.764 1.00 0.00 C ATOM 512 CG ASP A 32 43.287 34.511 11.098 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.581 35.584 11.599 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.817 34.057 10.097 1.00 0.00 O ATOM 0 H ASP A 32 40.950 32.406 13.465 1.00 0.00 H new ATOM 0 HA ASP A 32 42.785 34.446 13.695 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.513 32.650 11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.296 33.682 11.140 1.00 0.00 H new ATOM 519 N LYS A 33 39.826 35.587 12.803 1.00 0.00 N ATOM 520 CA LYS A 33 39.069 36.824 12.600 1.00 0.00 C ATOM 521 C LYS A 33 38.873 37.642 13.883 1.00 0.00 C ATOM 522 O LYS A 33 39.078 38.857 13.873 1.00 0.00 O ATOM 523 CB LYS A 33 37.695 36.507 12.019 1.00 0.00 C ATOM 524 CG LYS A 33 37.840 35.872 10.635 1.00 0.00 C ATOM 525 CD LYS A 33 36.461 35.430 10.139 1.00 0.00 C ATOM 526 CE LYS A 33 36.574 34.879 8.714 1.00 0.00 C ATOM 527 NZ LYS A 33 35.213 34.771 8.112 1.00 0.00 N ATOM 0 H LYS A 33 39.264 34.736 12.798 1.00 0.00 H new ATOM 0 HA LYS A 33 39.662 37.426 11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.159 35.830 12.683 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.103 37.419 11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.279 36.586 9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.514 35.017 10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.053 34.667 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.770 36.273 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.200 35.534 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.056 33.901 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.069 33.806 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 34.496 34.981 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.125 35.450 7.329 1.00 0.00 H new ATOM 541 N GLU A 34 38.428 37.001 14.971 1.00 0.00 N ATOM 542 CA GLU A 34 38.158 37.729 16.227 1.00 0.00 C ATOM 543 C GLU A 34 39.184 37.438 17.322 1.00 0.00 C ATOM 544 O GLU A 34 39.003 37.865 18.458 1.00 0.00 O ATOM 545 CB GLU A 34 36.757 37.370 16.740 1.00 0.00 C ATOM 546 CG GLU A 34 35.695 38.014 15.855 1.00 0.00 C ATOM 547 CD GLU A 34 35.630 39.512 16.128 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.564 39.879 17.290 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.647 40.268 15.173 1.00 0.00 O ATOM 0 H GLU A 34 38.248 35.998 15.013 1.00 0.00 H new ATOM 0 HA GLU A 34 38.226 38.792 15.995 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.629 36.288 16.746 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.640 37.710 17.769 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.928 37.837 14.805 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.724 37.558 16.047 1.00 0.00 H new ATOM 556 N GLY A 35 40.277 36.768 16.986 1.00 0.00 N ATOM 557 CA GLY A 35 41.326 36.495 17.972 1.00 0.00 C ATOM 558 C GLY A 35 40.813 35.759 19.216 1.00 0.00 C ATOM 559 O GLY A 35 41.336 35.958 20.311 1.00 0.00 O ATOM 0 H GLY A 35 40.464 36.405 16.051 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.109 35.899 17.503 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.782 37.437 18.278 1.00 0.00 H new ATOM 563 N ILE A 36 39.795 34.923 19.055 1.00 0.00 N ATOM 564 CA ILE A 36 39.223 34.175 20.174 1.00 0.00 C ATOM 565 C ILE A 36 39.771 32.740 20.195 1.00 0.00 C ATOM 566 O ILE A 36 39.398 31.932 19.346 1.00 0.00 O ATOM 567 CB ILE A 36 37.694 34.133 20.020 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.211 35.462 19.430 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.040 33.900 21.381 1.00 0.00 C ATOM 570 CD1 ILE A 36 37.586 36.627 20.350 1.00 0.00 C ATOM 0 H ILE A 36 39.345 34.744 18.157 1.00 0.00 H new ATOM 0 HA ILE A 36 39.494 34.668 21.108 1.00 0.00 H new ATOM 0 HB ILE A 36 37.417 33.316 19.353 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.654 35.612 18.445 1.00 0.00 H new ATOM 0 HG13 ILE A 36 36.130 35.434 19.292 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.957 33.871 21.264 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.386 32.952 21.793 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.311 34.710 22.058 1.00 0.00 H new ATOM 0 HD11 ILE A 36 37.235 37.562 19.914 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.122 36.484 21.326 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.669 36.665 20.466 1.00 0.00 H new ATOM 582 N PRO A 37 40.633 32.397 21.129 1.00 0.00 N ATOM 583 CA PRO A 37 41.199 31.016 21.209 1.00 0.00 C ATOM 584 C PRO A 37 40.109 29.934 21.098 1.00 0.00 C ATOM 585 O PRO A 37 38.943 30.177 21.421 1.00 0.00 O ATOM 586 CB PRO A 37 41.870 30.987 22.588 1.00 0.00 C ATOM 587 CG PRO A 37 42.253 32.406 22.856 1.00 0.00 C ATOM 588 CD PRO A 37 41.169 33.263 22.203 1.00 0.00 C ATOM 0 HA PRO A 37 41.886 30.802 20.390 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.189 30.610 23.351 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.743 30.335 22.589 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.311 32.599 23.927 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.234 32.631 22.438 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.394 33.540 22.917 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.579 34.190 21.802 1.00 0.00 H new ATOM 596 N PRO A 38 40.458 28.751 20.653 1.00 0.00 N ATOM 597 CA PRO A 38 39.478 27.629 20.502 1.00 0.00 C ATOM 598 C PRO A 38 38.890 27.177 21.841 1.00 0.00 C ATOM 599 O PRO A 38 37.693 26.907 21.941 1.00 0.00 O ATOM 600 CB PRO A 38 40.308 26.513 19.845 1.00 0.00 C ATOM 601 CG PRO A 38 41.708 26.816 20.247 1.00 0.00 C ATOM 602 CD PRO A 38 41.812 28.336 20.250 1.00 0.00 C ATOM 0 HA PRO A 38 38.608 27.921 19.913 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.998 25.528 20.193 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.195 26.518 18.761 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.931 26.406 21.232 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.420 26.375 19.550 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.569 28.689 20.950 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.080 28.726 19.268 1.00 0.00 H new ATOM 610 N ASP A 39 39.736 27.087 22.862 1.00 0.00 N ATOM 611 CA ASP A 39 39.277 26.657 24.180 1.00 0.00 C ATOM 612 C ASP A 39 38.281 27.653 24.762 1.00 0.00 C ATOM 613 O ASP A 39 37.417 27.287 25.557 1.00 0.00 O ATOM 614 CB ASP A 39 40.466 26.509 25.132 1.00 0.00 C ATOM 615 CG ASP A 39 41.301 25.293 24.743 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.781 24.441 24.040 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.448 25.231 25.154 1.00 0.00 O ATOM 0 H ASP A 39 40.731 27.303 22.805 1.00 0.00 H new ATOM 0 HA ASP A 39 38.781 25.693 24.065 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.082 27.408 25.100 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.110 26.403 26.157 1.00 0.00 H new ATOM 622 N GLN A 40 38.416 28.916 24.372 1.00 0.00 N ATOM 623 CA GLN A 40 37.530 29.962 24.874 1.00 0.00 C ATOM 624 C GLN A 40 36.234 30.026 24.077 1.00 0.00 C ATOM 625 O GLN A 40 35.235 30.561 24.559 1.00 0.00 O ATOM 626 CB GLN A 40 38.227 31.319 24.804 1.00 0.00 C ATOM 627 CG GLN A 40 39.409 31.331 25.771 1.00 0.00 C ATOM 628 CD GLN A 40 40.024 32.727 25.832 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.347 33.751 25.386 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 41.152 32.888 26.298 1.00 0.00 N flip ATOM 0 H GLN A 40 39.125 29.240 23.714 1.00 0.00 H new ATOM 0 HA GLN A 40 37.289 29.719 25.909 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.572 31.511 23.788 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.526 32.114 25.059 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.079 31.027 26.764 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.159 30.609 25.449 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.679 32.087 26.646 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.559 33.822 26.336 1.00 0.00 H new ATOM 639 N GLN A 41 36.245 29.497 22.853 1.00 0.00 N ATOM 640 CA GLN A 41 35.051 29.527 22.007 1.00 0.00 C ATOM 641 C GLN A 41 34.137 28.331 22.264 1.00 0.00 C ATOM 642 O GLN A 41 34.592 27.188 22.326 1.00 0.00 O ATOM 643 CB GLN A 41 35.469 29.521 20.529 1.00 0.00 C ATOM 644 CG GLN A 41 36.009 30.896 20.135 1.00 0.00 C ATOM 645 CD GLN A 41 36.264 30.945 18.634 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.315 30.601 17.810 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 37.359 31.300 18.199 1.00 0.00 N flip ATOM 0 H GLN A 41 37.057 29.048 22.429 1.00 0.00 H new ATOM 0 HA GLN A 41 34.500 30.436 22.250 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.231 28.760 20.361 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.616 29.262 19.902 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.295 31.670 20.416 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.933 31.102 20.676 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.101 31.569 18.845 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.524 31.325 17.193 1.00 0.00 H new ATOM 656 N ARG A 42 32.837 28.612 22.390 1.00 0.00 N ATOM 657 CA ARG A 42 31.827 27.588 22.606 1.00 0.00 C ATOM 658 C ARG A 42 30.801 27.712 21.486 1.00 0.00 C ATOM 659 O ARG A 42 30.112 28.728 21.384 1.00 0.00 O ATOM 660 CB ARG A 42 31.140 27.809 23.958 1.00 0.00 C ATOM 661 CG ARG A 42 32.196 27.885 25.090 1.00 0.00 C ATOM 662 CD ARG A 42 31.659 27.209 26.353 1.00 0.00 C ATOM 663 NE ARG A 42 30.287 27.634 26.614 1.00 0.00 N ATOM 664 CZ ARG A 42 29.492 26.939 27.423 1.00 0.00 C ATOM 665 NH1 ARG A 42 28.271 27.343 27.645 1.00 0.00 N ATOM 666 NH2 ARG A 42 29.932 25.850 27.994 1.00 0.00 N ATOM 0 H ARG A 42 32.461 29.559 22.344 1.00 0.00 H new ATOM 0 HA ARG A 42 32.282 26.598 22.607 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.558 28.730 23.932 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.442 26.996 24.156 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.118 27.399 24.772 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.441 28.926 25.301 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.695 26.126 26.237 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.292 27.459 27.204 1.00 0.00 H new ATOM 0 HE ARG A 42 29.931 28.479 26.168 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.926 28.192 27.198 1.00 0.00 H new ATOM 0 HH12 ARG A 42 27.662 26.809 28.265 1.00 0.00 H new ATOM 0 HH21 ARG A 42 30.885 25.532 27.820 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.322 25.317 28.614 1.00 0.00 H new ATOM 680 N LEU A 43 30.714 26.703 20.627 1.00 0.00 N ATOM 681 CA LEU A 43 29.776 26.753 19.507 1.00 0.00 C ATOM 682 C LEU A 43 28.429 26.155 19.885 1.00 0.00 C ATOM 683 O LEU A 43 28.313 24.954 20.152 1.00 0.00 O ATOM 684 CB LEU A 43 30.344 25.990 18.314 1.00 0.00 C ATOM 685 CG LEU A 43 31.757 26.475 17.977 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.163 25.872 16.637 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.788 28.004 17.872 1.00 0.00 C ATOM 0 H LEU A 43 31.272 25.851 20.681 1.00 0.00 H new ATOM 0 HA LEU A 43 29.631 27.801 19.244 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.365 24.923 18.536 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.694 26.123 17.449 1.00 0.00 H new ATOM 0 HG LEU A 43 32.445 26.166 18.764 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.168 26.205 16.378 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.148 24.784 16.708 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.463 26.195 15.866 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.799 28.332 17.632 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.105 28.329 17.087 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.481 28.440 18.823 1.00 0.00 H new ATOM 699 N ILE A 44 27.412 27.012 19.900 1.00 0.00 N ATOM 700 CA ILE A 44 26.047 26.597 20.246 1.00 0.00 C ATOM 701 C ILE A 44 25.109 26.657 19.036 1.00 0.00 C ATOM 702 O ILE A 44 24.950 27.707 18.400 1.00 0.00 O ATOM 703 CB ILE A 44 25.490 27.512 21.343 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.486 27.615 22.508 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.159 26.956 21.854 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.881 26.221 23.007 1.00 0.00 C ATOM 0 H ILE A 44 27.503 28.003 19.676 1.00 0.00 H new ATOM 0 HA ILE A 44 26.098 25.565 20.594 1.00 0.00 H new ATOM 0 HB ILE A 44 25.332 28.506 20.924 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.375 28.157 22.186 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.042 28.186 23.323 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.767 27.609 22.633 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.446 26.905 21.031 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.315 25.957 22.262 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.587 26.316 23.832 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.992 25.692 23.350 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.346 25.662 22.195 1.00 0.00 H new ATOM 718 N PHE A 45 24.476 25.520 18.737 1.00 0.00 N ATOM 719 CA PHE A 45 23.531 25.424 17.627 1.00 0.00 C ATOM 720 C PHE A 45 22.346 24.555 18.037 1.00 0.00 C ATOM 721 O PHE A 45 22.503 23.369 18.320 1.00 0.00 O ATOM 722 CB PHE A 45 24.213 24.805 16.409 1.00 0.00 C ATOM 723 CG PHE A 45 23.280 24.844 15.225 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.340 25.906 14.316 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.363 23.807 15.031 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.481 25.931 13.210 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.501 23.831 13.927 1.00 0.00 C ATOM 728 CZ PHE A 45 21.562 24.892 13.015 1.00 0.00 C ATOM 0 H PHE A 45 24.604 24.649 19.253 1.00 0.00 H new ATOM 0 HA PHE A 45 23.182 26.425 17.373 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.130 25.348 16.179 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.498 23.775 16.625 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.049 26.707 14.467 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.319 22.987 15.732 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.527 26.751 12.508 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.790 23.032 13.779 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.901 24.909 12.161 1.00 0.00 H new ATOM 738 N ALA A 46 21.162 25.154 18.079 1.00 0.00 N ATOM 739 CA ALA A 46 19.961 24.421 18.464 1.00 0.00 C ATOM 740 C ALA A 46 20.110 23.822 19.864 1.00 0.00 C ATOM 741 O ALA A 46 19.696 22.690 20.112 1.00 0.00 O ATOM 742 CB ALA A 46 19.686 23.307 17.455 1.00 0.00 C ATOM 0 H ALA A 46 21.007 26.137 17.853 1.00 0.00 H new ATOM 0 HA ALA A 46 19.124 25.119 18.474 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.788 22.764 17.749 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.541 23.740 16.465 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.533 22.621 17.430 1.00 0.00 H new ATOM 748 N GLY A 47 20.694 24.594 20.775 1.00 0.00 N ATOM 749 CA GLY A 47 20.881 24.140 22.153 1.00 0.00 C ATOM 750 C GLY A 47 21.800 22.919 22.238 1.00 0.00 C ATOM 751 O GLY A 47 21.810 22.218 23.249 1.00 0.00 O ATOM 0 H GLY A 47 21.045 25.533 20.588 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.301 24.951 22.747 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.912 23.895 22.588 1.00 0.00 H new ATOM 755 N LYS A 48 22.581 22.673 21.183 1.00 0.00 N ATOM 756 CA LYS A 48 23.513 21.535 21.161 1.00 0.00 C ATOM 757 C LYS A 48 24.934 22.015 20.889 1.00 0.00 C ATOM 758 O LYS A 48 25.182 22.702 19.898 1.00 0.00 O ATOM 759 CB LYS A 48 23.111 20.544 20.075 1.00 0.00 C ATOM 760 CG LYS A 48 21.734 19.957 20.386 1.00 0.00 C ATOM 761 CD LYS A 48 21.346 18.964 19.286 1.00 0.00 C ATOM 762 CE LYS A 48 19.955 18.396 19.576 1.00 0.00 C ATOM 763 NZ LYS A 48 19.553 17.482 18.470 1.00 0.00 N ATOM 0 H LYS A 48 22.589 23.241 20.336 1.00 0.00 H new ATOM 0 HA LYS A 48 23.474 21.048 22.135 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.093 21.042 19.106 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.849 19.745 20.009 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.750 19.457 21.354 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.993 20.754 20.451 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.352 19.460 18.315 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.077 18.157 19.236 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.960 17.858 20.524 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.232 19.206 19.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.608 17.095 18.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.533 18.009 17.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.238 16.703 18.397 1.00 0.00 H new ATOM 777 N GLN A 49 25.877 21.634 21.748 1.00 0.00 N ATOM 778 CA GLN A 49 27.265 22.020 21.552 1.00 0.00 C ATOM 779 C GLN A 49 27.901 21.139 20.486 1.00 0.00 C ATOM 780 O GLN A 49 27.784 19.914 20.529 1.00 0.00 O ATOM 781 CB GLN A 49 28.046 21.894 22.857 1.00 0.00 C ATOM 782 CG GLN A 49 29.402 22.581 22.698 1.00 0.00 C ATOM 783 CD GLN A 49 30.269 22.310 23.922 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.642 23.239 24.638 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.612 21.084 24.207 1.00 0.00 N ATOM 0 H GLN A 49 25.705 21.065 22.577 1.00 0.00 H new ATOM 0 HA GLN A 49 27.293 23.060 21.227 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.487 22.350 23.675 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.185 20.843 23.112 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.901 22.216 21.800 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.263 23.655 22.571 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.301 20.316 23.612 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.191 20.893 25.025 1.00 0.00 H new ATOM 794 N LEU A 50 28.549 21.765 19.519 1.00 0.00 N ATOM 795 CA LEU A 50 29.166 21.014 18.434 1.00 0.00 C ATOM 796 C LEU A 50 30.374 20.223 18.935 1.00 0.00 C ATOM 797 O LEU A 50 31.163 20.715 19.742 1.00 0.00 O ATOM 798 CB LEU A 50 29.585 21.969 17.317 1.00 0.00 C ATOM 799 CG LEU A 50 28.344 22.435 16.540 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.415 23.236 17.461 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.777 23.321 15.371 1.00 0.00 C ATOM 0 H LEU A 50 28.662 22.777 19.460 1.00 0.00 H new ATOM 0 HA LEU A 50 28.436 20.304 18.045 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.107 22.829 17.737 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.282 21.472 16.643 1.00 0.00 H new ATOM 0 HG LEU A 50 27.812 21.560 16.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.539 23.561 16.900 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.100 22.609 18.295 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.945 24.108 17.843 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.897 23.652 14.820 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.314 24.190 15.752 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.429 22.754 14.707 1.00 0.00 H new ATOM 813 N GLU A 51 30.499 18.986 18.450 1.00 0.00 N ATOM 814 CA GLU A 51 31.590 18.109 18.840 1.00 0.00 C ATOM 815 C GLU A 51 32.910 18.556 18.211 1.00 0.00 C ATOM 816 O GLU A 51 32.974 18.825 17.010 1.00 0.00 O ATOM 817 CB GLU A 51 31.263 16.679 18.408 1.00 0.00 C ATOM 818 CG GLU A 51 32.105 15.697 19.213 1.00 0.00 C ATOM 819 CD GLU A 51 32.017 14.306 18.594 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.917 13.898 18.261 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.050 13.673 18.456 1.00 0.00 O ATOM 0 H GLU A 51 29.849 18.572 17.781 1.00 0.00 H new ATOM 0 HA GLU A 51 31.704 18.153 19.923 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.203 16.475 18.561 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.461 16.556 17.343 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.143 16.029 19.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.757 15.667 20.245 1.00 0.00 H new ATOM 828 N ASP A 52 33.945 18.644 19.037 1.00 0.00 N ATOM 829 CA ASP A 52 35.258 19.075 18.586 1.00 0.00 C ATOM 830 C ASP A 52 35.870 18.124 17.553 1.00 0.00 C ATOM 831 O ASP A 52 37.088 18.119 17.379 1.00 0.00 O ATOM 832 CB ASP A 52 36.201 19.170 19.788 1.00 0.00 C ATOM 833 CG ASP A 52 35.595 20.064 20.864 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.107 21.126 20.518 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.628 19.672 22.020 1.00 0.00 O ATOM 0 H ASP A 52 33.897 18.420 20.031 1.00 0.00 H new ATOM 0 HA ASP A 52 35.130 20.046 18.108 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.386 18.175 20.193 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.165 19.570 19.473 1.00 0.00 H new ATOM 840 N GLY A 53 35.057 17.312 16.866 1.00 0.00 N ATOM 841 CA GLY A 53 35.624 16.387 15.878 1.00 0.00 C ATOM 842 C GLY A 53 34.615 15.910 14.828 1.00 0.00 C ATOM 843 O GLY A 53 34.864 14.912 14.153 1.00 0.00 O ATOM 0 H GLY A 53 34.043 17.275 16.969 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.457 16.876 15.372 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.031 15.520 16.398 1.00 0.00 H new ATOM 847 N ARG A 54 33.491 16.615 14.671 1.00 0.00 N ATOM 848 CA ARG A 54 32.485 16.217 13.667 1.00 0.00 C ATOM 849 C ARG A 54 32.530 17.143 12.449 1.00 0.00 C ATOM 850 O ARG A 54 33.244 18.149 12.434 1.00 0.00 O ATOM 851 CB ARG A 54 31.067 16.239 14.289 1.00 0.00 C ATOM 852 CG ARG A 54 30.752 14.889 14.956 1.00 0.00 C ATOM 853 CD ARG A 54 29.265 14.812 15.314 1.00 0.00 C ATOM 854 NE ARG A 54 29.060 13.819 16.365 1.00 0.00 N ATOM 855 CZ ARG A 54 27.843 13.532 16.817 1.00 0.00 C ATOM 856 NH1 ARG A 54 27.689 12.636 17.755 1.00 0.00 N ATOM 857 NH2 ARG A 54 26.803 14.147 16.326 1.00 0.00 N ATOM 0 H ARG A 54 33.252 17.447 15.210 1.00 0.00 H new ATOM 0 HA ARG A 54 32.718 15.204 13.341 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.998 17.040 15.025 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.328 16.451 13.517 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.015 14.072 14.283 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.357 14.769 15.855 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.911 15.787 15.648 1.00 0.00 H new ATOM 0 HD3 ARG A 54 28.682 14.547 14.432 1.00 0.00 H new ATOM 0 HE ARG A 54 29.867 13.336 16.760 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.502 12.156 18.141 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.755 12.416 18.102 1.00 0.00 H new ATOM 0 HH21 ARG A 54 26.923 14.848 15.595 1.00 0.00 H new ATOM 0 HH22 ARG A 54 25.869 13.927 16.673 1.00 0.00 H new ATOM 871 N THR A 55 31.752 16.774 11.428 1.00 0.00 N ATOM 872 CA THR A 55 31.669 17.550 10.186 1.00 0.00 C ATOM 873 C THR A 55 30.325 18.261 10.098 1.00 0.00 C ATOM 874 O THR A 55 29.312 17.778 10.620 1.00 0.00 O ATOM 875 CB THR A 55 31.840 16.626 8.975 1.00 0.00 C ATOM 876 OG1 THR A 55 30.960 15.519 9.101 1.00 0.00 O ATOM 877 CG2 THR A 55 33.288 16.127 8.905 1.00 0.00 C ATOM 0 H THR A 55 31.167 15.938 11.437 1.00 0.00 H new ATOM 0 HA THR A 55 32.467 18.293 10.187 1.00 0.00 H new ATOM 0 HB THR A 55 31.607 17.176 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.298 15.544 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.405 15.470 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.962 16.978 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.528 15.577 9.815 1.00 0.00 H new ATOM 885 N LEU A 56 30.301 19.401 9.413 1.00 0.00 N ATOM 886 CA LEU A 56 29.058 20.126 9.262 1.00 0.00 C ATOM 887 C LEU A 56 28.020 19.207 8.631 1.00 0.00 C ATOM 888 O LEU A 56 26.846 19.267 8.982 1.00 0.00 O ATOM 889 CB LEU A 56 29.273 21.374 8.399 1.00 0.00 C ATOM 890 CG LEU A 56 29.886 22.497 9.247 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.275 22.077 9.751 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.011 23.754 8.384 1.00 0.00 C ATOM 0 H LEU A 56 31.111 19.829 8.966 1.00 0.00 H new ATOM 0 HA LEU A 56 28.702 20.451 10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 56 29.930 21.139 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.323 21.703 7.977 1.00 0.00 H new ATOM 0 HG LEU A 56 29.246 22.697 10.107 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.702 22.880 10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.184 21.177 10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 56 31.925 21.875 8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.446 24.560 8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.653 23.545 7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.024 24.054 8.033 1.00 0.00 H new ATOM 904 N SER A 57 28.447 18.362 7.685 1.00 0.00 N ATOM 905 CA SER A 57 27.528 17.448 7.009 1.00 0.00 C ATOM 906 C SER A 57 26.613 16.747 8.008 1.00 0.00 C ATOM 907 O SER A 57 25.412 16.585 7.756 1.00 0.00 O ATOM 908 CB SER A 57 28.324 16.402 6.225 1.00 0.00 C ATOM 909 OG SER A 57 29.166 15.686 7.119 1.00 0.00 O ATOM 0 H SER A 57 29.416 18.294 7.374 1.00 0.00 H new ATOM 0 HA SER A 57 26.909 18.031 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 57 27.645 15.716 5.718 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.922 16.887 5.453 1.00 0.00 H new ATOM 0 HG SER A 57 29.676 15.014 6.620 1.00 0.00 H new ATOM 915 N ASP A 58 27.170 16.362 9.150 1.00 0.00 N ATOM 916 CA ASP A 58 26.371 15.716 10.179 1.00 0.00 C ATOM 917 C ASP A 58 25.297 16.689 10.627 1.00 0.00 C ATOM 918 O ASP A 58 24.153 16.314 10.894 1.00 0.00 O ATOM 919 CB ASP A 58 27.252 15.318 11.369 1.00 0.00 C ATOM 920 CG ASP A 58 26.433 14.532 12.390 1.00 0.00 C ATOM 921 OD1 ASP A 58 25.537 15.115 12.977 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.715 13.358 12.570 1.00 0.00 O ATOM 0 H ASP A 58 28.156 16.484 9.383 1.00 0.00 H new ATOM 0 HA ASP A 58 25.915 14.810 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.092 14.715 11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.670 16.210 11.836 1.00 0.00 H new ATOM 927 N TYR A 59 25.691 17.957 10.694 1.00 0.00 N ATOM 928 CA TYR A 59 24.782 19.022 11.101 1.00 0.00 C ATOM 929 C TYR A 59 23.985 19.568 9.908 1.00 0.00 C ATOM 930 O TYR A 59 23.117 20.424 10.081 1.00 0.00 O ATOM 931 CB TYR A 59 25.590 20.152 11.737 1.00 0.00 C ATOM 932 CG TYR A 59 26.098 19.717 13.097 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.452 19.403 13.273 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.214 19.628 14.182 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.921 19.001 14.530 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.685 19.226 15.439 1.00 0.00 C ATOM 937 CZ TYR A 59 27.038 18.912 15.613 1.00 0.00 C ATOM 938 OH TYR A 59 27.502 18.515 16.850 1.00 0.00 O ATOM 0 H TYR A 59 26.635 18.272 10.471 1.00 0.00 H new ATOM 0 HA TYR A 59 24.072 18.613 11.819 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.428 20.419 11.094 1.00 0.00 H new ATOM 0 HB3 TYR A 59 24.970 21.043 11.838 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.135 19.471 12.439 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.170 19.869 14.049 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.965 18.759 14.664 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.004 19.158 16.274 1.00 0.00 H new ATOM 0 HH TYR A 59 26.760 18.507 17.491 1.00 0.00 H new ATOM 948 N ASN A 60 24.281 19.079 8.700 1.00 0.00 N ATOM 949 CA ASN A 60 23.572 19.545 7.505 1.00 0.00 C ATOM 950 C ASN A 60 22.242 18.824 7.365 1.00 0.00 C ATOM 951 O ASN A 60 21.245 19.418 6.965 1.00 0.00 O ATOM 952 CB ASN A 60 24.410 19.313 6.246 1.00 0.00 C ATOM 953 CG ASN A 60 23.703 19.917 5.034 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.060 19.200 4.268 1.00 0.00 O ATOM 955 ND2 ASN A 60 23.782 21.203 4.815 1.00 0.00 N ATOM 0 H ASN A 60 24.995 18.372 8.525 1.00 0.00 H new ATOM 0 HA ASN A 60 23.395 20.615 7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.395 19.764 6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.565 18.245 6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.310 21.613 4.009 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.315 21.797 5.450 1.00 0.00 H new ATOM 962 N ILE A 61 22.222 17.542 7.708 1.00 0.00 N ATOM 963 CA ILE A 61 20.979 16.775 7.626 1.00 0.00 C ATOM 964 C ILE A 61 19.968 17.351 8.618 1.00 0.00 C ATOM 965 O ILE A 61 18.822 17.642 8.270 1.00 0.00 O ATOM 966 CB ILE A 61 21.249 15.300 7.939 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.189 14.727 6.875 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.931 14.520 7.935 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.686 13.351 7.320 1.00 0.00 C ATOM 0 H ILE A 61 23.032 17.018 8.039 1.00 0.00 H new ATOM 0 HA ILE A 61 20.574 16.844 6.616 1.00 0.00 H new ATOM 0 HB ILE A 61 21.710 15.213 8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.669 14.646 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.034 15.398 6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.128 13.471 8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.262 14.932 8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.464 14.600 6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.355 12.943 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.222 13.446 8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.836 12.682 7.451 1.00 0.00 H new ATOM 981 N GLN A 62 20.422 17.508 9.852 1.00 0.00 N ATOM 982 CA GLN A 62 19.581 18.054 10.910 1.00 0.00 C ATOM 983 C GLN A 62 19.338 19.546 10.668 1.00 0.00 C ATOM 984 O GLN A 62 19.465 20.358 11.587 1.00 0.00 O ATOM 985 CB GLN A 62 20.274 17.853 12.267 1.00 0.00 C ATOM 986 CG GLN A 62 19.254 17.964 13.402 1.00 0.00 C ATOM 987 CD GLN A 62 19.958 17.825 14.748 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.425 18.815 15.312 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.065 16.647 15.301 1.00 0.00 N ATOM 0 H GLN A 62 21.368 17.266 10.147 1.00 0.00 H new ATOM 0 HA GLN A 62 18.622 17.536 10.911 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.757 16.876 12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.057 18.600 12.398 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.740 18.924 13.348 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.495 17.189 13.297 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.678 15.827 14.834 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.536 16.547 16.200 1.00 0.00 H new ATOM 998 N LYS A 63 18.986 19.908 9.429 1.00 0.00 N ATOM 999 CA LYS A 63 18.729 21.309 9.089 1.00 0.00 C ATOM 1000 C LYS A 63 17.393 21.791 9.661 1.00 0.00 C ATOM 1001 O LYS A 63 16.500 22.204 8.918 1.00 0.00 O ATOM 1002 CB LYS A 63 18.734 21.493 7.565 1.00 0.00 C ATOM 1003 CG LYS A 63 18.810 22.986 7.220 1.00 0.00 C ATOM 1004 CD LYS A 63 18.805 23.180 5.690 1.00 0.00 C ATOM 1005 CE LYS A 63 20.233 23.068 5.144 1.00 0.00 C ATOM 1006 NZ LYS A 63 20.218 23.256 3.668 1.00 0.00 N ATOM 0 H LYS A 63 18.874 19.256 8.653 1.00 0.00 H new ATOM 0 HA LYS A 63 19.525 21.908 9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.583 20.966 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.833 21.057 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.965 23.513 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.715 23.420 7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.168 22.430 5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.386 24.155 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.871 23.819 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.653 22.093 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.187 23.180 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.622 22.524 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.834 24.196 3.442 1.00 0.00 H new ATOM 1020 N GLU A 64 17.266 21.759 10.982 1.00 0.00 N ATOM 1021 CA GLU A 64 16.038 22.216 11.631 1.00 0.00 C ATOM 1022 C GLU A 64 15.757 23.667 11.249 1.00 0.00 C ATOM 1023 O GLU A 64 14.622 24.030 10.939 1.00 0.00 O ATOM 1024 CB GLU A 64 16.176 22.106 13.154 1.00 0.00 C ATOM 1025 CG GLU A 64 17.402 22.902 13.617 1.00 0.00 C ATOM 1026 CD GLU A 64 17.792 22.492 15.032 1.00 0.00 C ATOM 1027 OE1 GLU A 64 17.036 22.785 15.944 1.00 0.00 O ATOM 1028 OE2 GLU A 64 18.843 21.891 15.184 1.00 0.00 O ATOM 0 H GLU A 64 17.988 21.426 11.621 1.00 0.00 H new ATOM 0 HA GLU A 64 15.211 21.588 11.299 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.278 22.487 13.639 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.277 21.061 13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.236 22.728 12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.184 23.970 13.587 1.00 0.00 H new HETATM 1035 N SEP A 65 16.806 24.488 11.265 1.00 0.00 N HETATM 1036 CA SEP A 65 16.697 25.907 10.913 1.00 0.00 C HETATM 1037 CB SEP A 65 16.928 26.775 12.147 1.00 0.00 C HETATM 1038 OG SEP A 65 16.729 28.140 11.805 1.00 0.00 O HETATM 1039 C SEP A 65 17.734 26.241 9.848 1.00 0.00 C HETATM 1040 O SEP A 65 18.090 25.389 9.038 1.00 0.00 O HETATM 1041 P SEP A 65 16.734 29.211 12.907 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.228 29.324 13.365 1.00 0.00 O HETATM 1043 O2P SEP A 65 15.784 28.658 14.024 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.194 30.514 12.224 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.243 26.484 12.944 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.939 26.627 12.526 1.00 0.00 H new HETATM 0 HA SEP A 65 15.697 26.106 10.527 1.00 0.00 H new ATOM 1049 N THR A 66 18.232 27.477 9.857 1.00 0.00 N ATOM 1050 CA THR A 66 19.249 27.892 8.889 1.00 0.00 C ATOM 1051 C THR A 66 20.630 27.642 9.480 1.00 0.00 C ATOM 1052 O THR A 66 20.735 27.204 10.626 1.00 0.00 O ATOM 1053 CB THR A 66 19.072 29.384 8.559 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.584 30.069 9.706 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.076 29.536 7.412 1.00 0.00 C ATOM 0 H THR A 66 17.952 28.203 10.517 1.00 0.00 H new ATOM 0 HA THR A 66 19.142 27.317 7.969 1.00 0.00 H new ATOM 0 HB THR A 66 20.032 29.808 8.265 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.473 31.020 9.496 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.950 30.593 7.177 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.450 29.011 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.116 29.112 7.706 1.00 0.00 H new ATOM 1063 N LEU A 67 21.687 27.900 8.710 1.00 0.00 N ATOM 1064 CA LEU A 67 23.041 27.665 9.193 1.00 0.00 C ATOM 1065 C LEU A 67 23.497 28.807 10.094 1.00 0.00 C ATOM 1066 O LEU A 67 24.648 29.244 10.038 1.00 0.00 O ATOM 1067 CB LEU A 67 23.984 27.543 7.987 1.00 0.00 C ATOM 1068 CG LEU A 67 23.360 26.631 6.920 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.355 26.412 5.773 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.004 25.279 7.544 1.00 0.00 C ATOM 0 H LEU A 67 21.630 28.268 7.760 1.00 0.00 H new ATOM 0 HA LEU A 67 23.059 26.744 9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.178 28.529 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.945 27.138 8.306 1.00 0.00 H new ATOM 0 HG LEU A 67 22.459 27.105 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.906 25.764 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.607 27.372 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.260 25.944 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.561 24.633 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.906 24.811 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.290 25.429 8.354 1.00 0.00 H new ATOM 1082 N HIS A 68 22.580 29.271 10.931 1.00 0.00 N ATOM 1083 CA HIS A 68 22.883 30.348 11.861 1.00 0.00 C ATOM 1084 C HIS A 68 23.595 29.765 13.071 1.00 0.00 C ATOM 1085 O HIS A 68 23.084 28.864 13.735 1.00 0.00 O ATOM 1086 CB HIS A 68 21.590 31.031 12.307 1.00 0.00 C ATOM 1087 CG HIS A 68 21.916 32.254 13.119 1.00 0.00 C ATOM 1088 ND1 HIS A 68 22.210 33.472 12.529 1.00 0.00 N ATOM 1089 CD2 HIS A 68 21.999 32.463 14.474 1.00 0.00 C ATOM 1090 CE1 HIS A 68 22.454 34.353 13.517 1.00 0.00 C ATOM 1091 NE2 HIS A 68 22.339 33.789 14.723 1.00 0.00 N ATOM 0 H HIS A 68 21.624 28.920 10.985 1.00 0.00 H new ATOM 0 HA HIS A 68 23.521 31.085 11.373 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.995 31.309 11.437 1.00 0.00 H new ATOM 0 HB3 HIS A 68 20.988 30.341 12.898 1.00 0.00 H new ATOM 0 HD1 HIS A 68 22.237 33.666 11.528 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.827 31.712 15.231 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.711 35.389 13.355 1.00 0.00 H new ATOM 1100 N LEU A 69 24.792 30.273 13.341 1.00 0.00 N ATOM 1101 CA LEU A 69 25.602 29.793 14.456 1.00 0.00 C ATOM 1102 C LEU A 69 25.759 30.880 15.509 1.00 0.00 C ATOM 1103 O LEU A 69 26.020 32.038 15.183 1.00 0.00 O ATOM 1104 CB LEU A 69 26.976 29.377 13.912 1.00 0.00 C ATOM 1105 CG LEU A 69 27.920 28.968 15.050 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.264 27.884 15.917 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.221 28.420 14.450 1.00 0.00 C ATOM 0 H LEU A 69 25.225 31.021 12.800 1.00 0.00 H new ATOM 0 HA LEU A 69 25.113 28.940 14.927 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.859 28.546 13.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.414 30.203 13.351 1.00 0.00 H new ATOM 0 HG LEU A 69 28.132 29.838 15.671 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.943 27.601 16.722 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.338 28.270 16.343 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.045 27.010 15.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.897 28.127 15.253 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.998 27.552 13.829 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.694 29.190 13.841 1.00 0.00 H new ATOM 1119 N VAL A 70 25.620 30.494 16.778 1.00 0.00 N ATOM 1120 CA VAL A 70 25.772 31.437 17.879 1.00 0.00 C ATOM 1121 C VAL A 70 27.118 31.227 18.559 1.00 0.00 C ATOM 1122 O VAL A 70 27.439 30.124 19.002 1.00 0.00 O ATOM 1123 CB VAL A 70 24.633 31.256 18.884 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.924 32.059 20.156 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.333 31.761 18.257 1.00 0.00 C ATOM 0 H VAL A 70 25.404 29.539 17.065 1.00 0.00 H new ATOM 0 HA VAL A 70 25.732 32.453 17.487 1.00 0.00 H new ATOM 0 HB VAL A 70 24.542 30.201 19.141 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.108 31.924 20.866 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.855 31.709 20.602 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.017 33.116 19.906 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.515 31.636 18.966 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.437 32.816 18.005 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.120 31.191 17.353 1.00 0.00 H new ATOM 1135 N LEU A 71 27.903 32.296 18.640 1.00 0.00 N ATOM 1136 CA LEU A 71 29.218 32.225 19.270 1.00 0.00 C ATOM 1137 C LEU A 71 29.126 32.577 20.749 1.00 0.00 C ATOM 1138 O LEU A 71 28.707 33.676 21.114 1.00 0.00 O ATOM 1139 CB LEU A 71 30.192 33.181 18.573 1.00 0.00 C ATOM 1140 CG LEU A 71 31.626 32.907 19.058 1.00 0.00 C ATOM 1141 CD1 LEU A 71 32.142 31.569 18.495 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.542 34.046 18.594 1.00 0.00 C ATOM 0 H LEU A 71 27.654 33.217 18.280 1.00 0.00 H new ATOM 0 HA LEU A 71 29.586 31.204 19.174 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.133 33.052 17.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.917 34.214 18.786 1.00 0.00 H new ATOM 0 HG LEU A 71 31.626 32.849 20.146 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.158 31.393 18.849 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.495 30.759 18.831 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.139 31.607 17.406 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.560 33.856 18.935 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.529 34.103 17.506 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.189 34.989 19.011 1.00 0.00 H new ATOM 1154 N ARG A 72 29.542 31.638 21.593 1.00 0.00 N ATOM 1155 CA ARG A 72 29.534 31.834 23.043 1.00 0.00 C ATOM 1156 C ARG A 72 30.967 31.757 23.567 1.00 0.00 C ATOM 1157 O ARG A 72 31.804 31.070 22.987 1.00 0.00 O ATOM 1158 CB ARG A 72 28.677 30.732 23.704 1.00 0.00 C ATOM 1159 CG ARG A 72 27.225 31.212 23.883 1.00 0.00 C ATOM 1160 CD ARG A 72 27.095 32.032 25.175 1.00 0.00 C ATOM 1161 NE ARG A 72 26.965 31.142 26.322 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.844 30.463 26.541 1.00 0.00 C ATOM 1163 NH1 ARG A 72 25.751 29.672 27.574 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.834 30.590 25.723 1.00 0.00 N ATOM 0 H ARG A 72 29.892 30.727 21.297 1.00 0.00 H new ATOM 0 HA ARG A 72 29.112 32.810 23.282 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.695 29.832 23.090 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.100 30.466 24.673 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.926 31.817 23.027 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.552 30.355 23.918 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.969 32.672 25.298 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.226 32.687 25.113 1.00 0.00 H new ATOM 0 HE ARG A 72 27.748 31.039 26.968 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.539 29.574 28.214 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.890 29.151 27.742 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.906 31.210 24.916 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.973 30.069 25.891 1.00 0.00 H new ATOM 1178 N LEU A 73 31.244 32.461 24.665 1.00 0.00 N ATOM 1179 CA LEU A 73 32.584 32.457 25.261 1.00 0.00 C ATOM 1180 C LEU A 73 32.516 31.983 26.711 1.00 0.00 C ATOM 1181 O LEU A 73 31.543 32.250 27.416 1.00 0.00 O ATOM 1182 CB LEU A 73 33.195 33.870 25.199 1.00 0.00 C ATOM 1183 CG LEU A 73 32.731 34.592 23.911 1.00 0.00 C ATOM 1184 CD1 LEU A 73 31.452 35.389 24.191 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.827 35.553 23.434 1.00 0.00 C ATOM 0 H LEU A 73 30.564 33.039 25.159 1.00 0.00 H new ATOM 0 HA LEU A 73 33.216 31.772 24.696 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.894 34.444 26.076 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.283 33.806 25.218 1.00 0.00 H new ATOM 0 HG LEU A 73 32.534 33.847 23.140 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.131 35.894 23.280 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.667 34.711 24.525 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.647 36.129 24.967 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.497 36.060 22.527 1.00 0.00 H new ATOM 0 HD22 LEU A 73 34.026 36.292 24.210 1.00 0.00 H new ATOM 0 HD23 LEU A 73 34.738 34.991 23.225 1.00 0.00 H new ATOM 1197 N ARG A 74 33.554 31.280 27.147 1.00 0.00 N ATOM 1198 CA ARG A 74 33.603 30.772 28.514 1.00 0.00 C ATOM 1199 C ARG A 74 33.357 31.896 29.514 1.00 0.00 C ATOM 1200 O ARG A 74 34.018 32.934 29.473 1.00 0.00 O ATOM 1201 CB ARG A 74 34.970 30.135 28.786 1.00 0.00 C ATOM 1202 CG ARG A 74 35.001 29.570 30.209 1.00 0.00 C ATOM 1203 CD ARG A 74 36.264 28.727 30.399 1.00 0.00 C ATOM 1204 NE ARG A 74 37.452 29.534 30.145 1.00 0.00 N ATOM 1205 CZ ARG A 74 38.660 28.981 30.080 1.00 0.00 C ATOM 1206 NH1 ARG A 74 39.705 29.723 29.841 1.00 0.00 N ATOM 1207 NH2 ARG A 74 38.799 27.696 30.260 1.00 0.00 N ATOM 0 H ARG A 74 34.369 31.049 26.579 1.00 0.00 H new ATOM 0 HA ARG A 74 32.821 30.021 28.630 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.162 29.341 28.065 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.759 30.877 28.661 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.982 30.383 30.935 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.115 28.961 30.389 1.00 0.00 H new ATOM 0 HD2 ARG A 74 36.296 28.330 31.414 1.00 0.00 H new ATOM 0 HD3 ARG A 74 36.245 27.872 29.723 1.00 0.00 H new ATOM 0 HE ARG A 74 37.355 30.541 30.015 1.00 0.00 H new ATOM 0 HH11 ARG A 74 39.596 30.728 29.704 1.00 0.00 H new ATOM 0 HH12 ARG A 74 40.631 29.299 29.791 1.00 0.00 H new ATOM 0 HH21 ARG A 74 37.982 27.116 30.450 1.00 0.00 H new ATOM 0 HH22 ARG A 74 39.725 27.271 30.210 1.00 0.00 H new ATOM 1221 N GLY A 75 32.405 31.679 30.415 1.00 0.00 N ATOM 1222 CA GLY A 75 32.079 32.677 31.427 1.00 0.00 C ATOM 1223 C GLY A 75 31.232 33.798 30.835 1.00 0.00 C ATOM 1224 O GLY A 75 30.887 33.772 29.653 1.00 0.00 O ATOM 0 H GLY A 75 31.848 30.826 30.465 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.541 32.205 32.249 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.997 33.091 31.844 1.00 0.00 H new ATOM 1228 N GLY A 76 30.902 34.783 31.664 1.00 0.00 N ATOM 1229 CA GLY A 76 30.097 35.911 31.212 1.00 0.00 C ATOM 1230 C GLY A 76 30.922 36.852 30.342 1.00 0.00 C ATOM 1231 O GLY A 76 31.861 36.382 29.721 1.00 0.00 O ATOM 1232 OXT GLY A 76 30.603 38.029 30.309 1.00 0.00 O ATOM 0 H GLY A 76 31.177 34.823 32.645 1.00 0.00 H new ATOM 0 HA2 GLY A 76 29.238 35.547 30.648 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.707 36.453 32.073 1.00 0.00 H new TER 1236 GLY A 76