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 55 THR OG1 : rot 122:sc= -0.615 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.34 USER MOD Set 2.1: A 22 THR OG1 : rot -56:sc= 0.791 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.29 K(o=2.1,f=-4.4!) USER MOD Set 3.1: A 7 THR OG1 : rot -55:sc= 1.06 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.32 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -1.43! C(o=-1.4!,f=-2.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 0.956 (180deg=-0.859!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -58:sc= 0.167 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 1.02 (180deg=0.935) USER MOD Single : A 40 GLN : amide:sc=-0.000184 K(o=-0.00018,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= 0.192 K(o=0.19,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.79 K(o=-0.79,f=-1.9!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.916 USER MOD Single : A 60 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 0.939 (180deg=0.608) USER MOD Single : A 65 SER OG : rot 88:sc= 0.887 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0015 K(o=-0.0015,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.381 30.435 15.832 1.00 0.00 N ATOM 2 CA MET A 1 13.445 30.753 17.261 1.00 0.00 C ATOM 3 C MET A 1 14.798 31.422 17.507 1.00 0.00 C ATOM 4 O MET A 1 15.775 31.017 16.875 1.00 0.00 O ATOM 5 CB MET A 1 13.189 29.532 18.147 1.00 0.00 C ATOM 6 CG MET A 1 13.988 28.262 17.849 1.00 0.00 C ATOM 7 SD MET A 1 14.581 27.417 19.334 1.00 0.00 S ATOM 8 CE MET A 1 14.682 25.701 18.752 1.00 0.00 C ATOM 0 H1 MET A 1 12.765 29.609 15.687 1.00 0.00 H new ATOM 0 H2 MET A 1 12.996 31.249 15.312 1.00 0.00 H new ATOM 0 H3 MET A 1 14.336 30.220 15.481 1.00 0.00 H new ATOM 0 HA MET A 1 12.645 31.439 17.540 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.387 29.819 19.180 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.129 29.286 18.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.365 27.576 17.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.841 28.518 17.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.034 25.062 19.562 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.696 25.367 18.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.377 25.641 17.914 1.00 0.00 H new ATOM 20 N GLN A 2 14.869 32.360 18.445 1.00 0.00 N ATOM 21 CA GLN A 2 16.114 32.755 19.088 1.00 0.00 C ATOM 22 C GLN A 2 16.617 31.717 20.086 1.00 0.00 C ATOM 23 O GLN A 2 15.768 31.143 20.765 1.00 0.00 O ATOM 24 CB GLN A 2 15.729 34.061 19.792 1.00 0.00 C ATOM 25 CG GLN A 2 16.815 35.127 19.965 1.00 0.00 C ATOM 26 CD GLN A 2 16.229 36.327 20.697 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.833 37.387 20.864 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.045 36.169 21.280 1.00 0.00 N ATOM 0 H GLN A 2 14.054 32.872 18.783 1.00 0.00 H new ATOM 0 HA GLN A 2 16.934 32.860 18.378 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.905 34.510 19.238 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.347 33.808 20.781 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.655 34.719 20.526 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.200 35.432 18.992 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.527 35.299 21.155 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.654 36.918 21.852 1.00 0.00 H new ATOM 37 N ILE A 3 17.927 31.472 20.106 1.00 0.00 N ATOM 38 CA ILE A 3 18.638 30.730 21.126 1.00 0.00 C ATOM 39 C ILE A 3 19.792 31.643 21.528 1.00 0.00 C ATOM 40 O ILE A 3 19.981 32.667 20.879 1.00 0.00 O ATOM 41 CB ILE A 3 19.263 29.373 20.798 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.271 29.482 19.650 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.056 28.428 20.709 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.950 28.155 19.336 1.00 0.00 C ATOM 0 H ILE A 3 18.546 31.807 19.368 1.00 0.00 H new ATOM 0 HA ILE A 3 17.878 30.478 21.865 1.00 0.00 H new ATOM 0 HB ILE A 3 19.935 28.943 21.541 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.761 29.845 18.757 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.029 30.222 19.907 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.399 27.420 20.476 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.529 28.420 21.663 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.382 28.772 19.925 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.654 28.292 18.515 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.485 27.803 20.218 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.198 27.420 19.051 1.00 0.00 H new ATOM 56 N PHE A 4 20.528 31.231 22.557 1.00 0.00 N ATOM 57 CA PHE A 4 21.656 31.991 23.051 1.00 0.00 C ATOM 58 C PHE A 4 22.851 31.055 23.254 1.00 0.00 C ATOM 59 O PHE A 4 22.647 29.867 23.458 1.00 0.00 O ATOM 60 CB PHE A 4 21.308 32.706 24.352 1.00 0.00 C ATOM 61 CG PHE A 4 20.212 33.747 24.247 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.400 35.091 23.903 1.00 0.00 C ATOM 63 CD2 PHE A 4 18.944 33.378 24.707 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.287 35.935 23.726 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.855 34.258 24.669 1.00 0.00 C ATOM 66 CZ PHE A 4 18.015 35.543 24.140 1.00 0.00 C ATOM 0 H PHE A 4 20.354 30.364 23.065 1.00 0.00 H new ATOM 0 HA PHE A 4 21.916 32.753 22.316 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.008 31.960 25.088 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.208 33.187 24.734 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.399 35.480 23.773 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.800 32.384 25.104 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.421 36.901 23.262 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.893 33.945 25.048 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.174 36.215 24.054 1.00 0.00 H new ATOM 76 N VAL A 5 24.084 31.538 23.323 1.00 0.00 N ATOM 77 CA VAL A 5 25.301 30.819 23.655 1.00 0.00 C ATOM 78 C VAL A 5 26.143 31.667 24.624 1.00 0.00 C ATOM 79 O VAL A 5 26.479 32.769 24.199 1.00 0.00 O ATOM 80 CB VAL A 5 26.188 30.391 22.480 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.532 29.789 22.892 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.528 29.293 21.642 1.00 0.00 C ATOM 0 H VAL A 5 24.271 32.522 23.132 1.00 0.00 H new ATOM 0 HA VAL A 5 24.951 29.887 24.099 1.00 0.00 H new ATOM 0 HB VAL A 5 26.334 31.322 21.933 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.096 29.514 22.001 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.098 30.522 23.468 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.362 28.902 23.502 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.188 29.017 20.819 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.343 28.420 22.267 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.583 29.659 21.242 1.00 0.00 H new ATOM 92 N LYS A 6 26.398 31.252 25.863 1.00 0.00 N ATOM 93 CA LYS A 6 27.527 31.704 26.648 1.00 0.00 C ATOM 94 C LYS A 6 28.821 31.038 26.188 1.00 0.00 C ATOM 95 O LYS A 6 28.909 29.826 26.012 1.00 0.00 O ATOM 96 CB LYS A 6 27.205 31.387 28.113 1.00 0.00 C ATOM 97 CG LYS A 6 28.354 31.318 29.122 1.00 0.00 C ATOM 98 CD LYS A 6 27.757 31.297 30.533 1.00 0.00 C ATOM 99 CE LYS A 6 28.704 31.130 31.716 1.00 0.00 C ATOM 100 NZ LYS A 6 28.010 31.347 33.000 1.00 0.00 N ATOM 0 H LYS A 6 25.809 30.578 26.352 1.00 0.00 H new ATOM 0 HA LYS A 6 27.686 32.775 26.523 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.500 32.140 28.466 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.687 30.429 28.137 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.956 30.425 28.951 1.00 0.00 H new ATOM 0 HG3 LYS A 6 29.016 32.176 29.003 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.208 32.228 30.676 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.028 30.487 30.574 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.136 30.129 31.699 1.00 0.00 H new ATOM 0 HE3 LYS A 6 29.530 31.835 31.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.683 31.226 33.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.620 32.311 33.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.237 30.658 33.098 1.00 0.00 H new ATOM 114 N THR A 7 29.823 31.888 25.980 1.00 0.00 N ATOM 115 CA THR A 7 31.108 31.482 25.433 1.00 0.00 C ATOM 116 C THR A 7 32.219 31.312 26.474 1.00 0.00 C ATOM 117 O THR A 7 31.939 31.645 27.627 1.00 0.00 O ATOM 118 CB THR A 7 31.576 32.494 24.388 1.00 0.00 C ATOM 119 OG1 THR A 7 31.966 33.692 25.016 1.00 0.00 O ATOM 120 CG2 THR A 7 30.657 32.764 23.194 1.00 0.00 C ATOM 0 H THR A 7 29.762 32.885 26.189 1.00 0.00 H new ATOM 0 HA THR A 7 30.933 30.500 24.993 1.00 0.00 H new ATOM 0 HB THR A 7 32.426 32.001 23.916 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.228 34.028 25.566 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.119 33.502 22.538 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.496 31.838 22.642 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.700 33.145 23.550 1.00 0.00 H new ATOM 128 N LEU A 8 33.362 30.721 26.130 1.00 0.00 N ATOM 129 CA LEU A 8 34.477 30.404 26.995 1.00 0.00 C ATOM 130 C LEU A 8 35.064 31.633 27.692 1.00 0.00 C ATOM 131 O LEU A 8 35.622 31.460 28.782 1.00 0.00 O ATOM 132 CB LEU A 8 35.562 29.617 26.254 1.00 0.00 C ATOM 133 CG LEU A 8 35.239 28.140 25.992 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.107 27.754 24.795 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.569 27.187 27.130 1.00 0.00 C ATOM 0 H LEU A 8 33.537 30.434 25.167 1.00 0.00 H new ATOM 0 HA LEU A 8 34.074 29.766 27.781 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.753 30.105 25.298 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.486 29.673 26.830 1.00 0.00 H new ATOM 0 HG LEU A 8 34.163 28.050 25.845 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.934 26.708 24.543 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.849 28.380 23.941 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.158 27.898 25.046 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.302 26.170 26.842 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.636 27.235 27.347 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.005 27.472 28.018 1.00 0.00 H new ATOM 147 N THR A 9 35.071 32.825 27.089 1.00 0.00 N ATOM 148 CA THR A 9 35.487 34.084 27.668 1.00 0.00 C ATOM 149 C THR A 9 34.543 34.665 28.715 1.00 0.00 C ATOM 150 O THR A 9 34.949 35.530 29.486 1.00 0.00 O ATOM 151 CB THR A 9 35.724 35.118 26.568 1.00 0.00 C ATOM 152 OG1 THR A 9 34.682 34.996 25.624 1.00 0.00 O ATOM 153 CG2 THR A 9 36.982 34.823 25.739 1.00 0.00 C ATOM 0 H THR A 9 34.765 32.932 26.122 1.00 0.00 H new ATOM 0 HA THR A 9 36.410 33.854 28.200 1.00 0.00 H new ATOM 0 HB THR A 9 35.799 36.086 27.064 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.811 35.652 24.907 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.101 35.589 24.973 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.856 34.823 26.391 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.884 33.847 25.264 1.00 0.00 H new ATOM 161 N GLY A 10 33.264 34.293 28.714 1.00 0.00 N ATOM 162 CA GLY A 10 32.184 34.752 29.558 1.00 0.00 C ATOM 163 C GLY A 10 31.135 35.446 28.679 1.00 0.00 C ATOM 164 O GLY A 10 30.020 35.569 29.166 1.00 0.00 O ATOM 0 H GLY A 10 32.935 33.591 28.051 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.736 33.912 30.089 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.561 35.442 30.313 1.00 0.00 H new ATOM 168 N LYS A 11 31.489 35.849 27.467 1.00 0.00 N ATOM 169 CA LYS A 11 30.654 36.643 26.598 1.00 0.00 C ATOM 170 C LYS A 11 29.439 35.814 26.176 1.00 0.00 C ATOM 171 O LYS A 11 29.703 34.641 25.918 1.00 0.00 O ATOM 172 CB LYS A 11 31.525 37.028 25.394 1.00 0.00 C ATOM 173 CG LYS A 11 30.924 38.004 24.378 1.00 0.00 C ATOM 174 CD LYS A 11 31.843 38.361 23.207 1.00 0.00 C ATOM 175 CE LYS A 11 31.187 39.398 22.289 1.00 0.00 C ATOM 176 NZ LYS A 11 31.980 39.679 21.088 1.00 0.00 N ATOM 0 H LYS A 11 32.394 35.622 27.055 1.00 0.00 H new ATOM 0 HA LYS A 11 30.278 37.542 27.087 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.451 37.462 25.772 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.794 36.113 24.865 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.005 37.573 23.981 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.648 38.922 24.897 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.787 38.752 23.587 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.077 37.462 22.637 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.201 39.041 21.992 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.037 40.324 22.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.725 40.616 20.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.992 39.666 21.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.786 38.955 20.367 1.00 0.00 H new ATOM 190 N THR A 12 28.281 36.417 25.949 1.00 0.00 N ATOM 191 CA THR A 12 27.102 35.742 25.446 1.00 0.00 C ATOM 192 C THR A 12 26.611 36.333 24.115 1.00 0.00 C ATOM 193 O THR A 12 26.461 37.542 23.965 1.00 0.00 O ATOM 194 CB THR A 12 25.967 35.955 26.435 1.00 0.00 C ATOM 195 OG1 THR A 12 26.416 35.766 27.763 1.00 0.00 O ATOM 196 CG2 THR A 12 24.786 34.986 26.339 1.00 0.00 C ATOM 0 H THR A 12 28.136 37.413 26.115 1.00 0.00 H new ATOM 0 HA THR A 12 27.369 34.694 25.307 1.00 0.00 H new ATOM 0 HB THR A 12 25.642 36.964 26.184 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.671 35.909 28.384 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.044 35.241 27.095 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.335 35.059 25.349 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.137 33.967 26.504 1.00 0.00 H new ATOM 204 N ILE A 13 26.358 35.468 23.132 1.00 0.00 N ATOM 205 CA ILE A 13 25.880 35.738 21.792 1.00 0.00 C ATOM 206 C ILE A 13 24.399 35.349 21.797 1.00 0.00 C ATOM 207 O ILE A 13 23.984 34.322 22.324 1.00 0.00 O ATOM 208 CB ILE A 13 26.794 34.934 20.861 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.306 34.969 21.053 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.418 35.380 19.451 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.860 36.375 20.806 1.00 0.00 C ATOM 0 H ILE A 13 26.499 34.468 23.277 1.00 0.00 H new ATOM 0 HA ILE A 13 25.924 36.771 21.448 1.00 0.00 H new ATOM 0 HB ILE A 13 26.608 33.887 21.099 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.555 34.649 22.065 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.779 34.263 20.370 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.032 34.847 18.725 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.366 35.160 19.268 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.587 36.452 19.351 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.940 36.371 20.950 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.631 36.682 19.786 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.403 37.074 21.507 1.00 0.00 H new ATOM 223 N THR A 14 23.630 36.081 20.993 1.00 0.00 N ATOM 224 CA THR A 14 22.223 35.945 20.660 1.00 0.00 C ATOM 225 C THR A 14 22.352 35.417 19.238 1.00 0.00 C ATOM 226 O THR A 14 22.959 36.106 18.412 1.00 0.00 O ATOM 227 CB THR A 14 21.445 37.254 20.720 1.00 0.00 C ATOM 228 OG1 THR A 14 21.528 37.879 21.978 1.00 0.00 O ATOM 229 CG2 THR A 14 19.970 36.924 20.431 1.00 0.00 C ATOM 0 H THR A 14 24.034 36.879 20.503 1.00 0.00 H new ATOM 0 HA THR A 14 21.660 35.317 21.350 1.00 0.00 H new ATOM 0 HB THR A 14 21.871 37.943 19.990 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.186 37.273 22.668 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.379 37.839 20.465 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.885 36.474 19.442 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.600 36.225 21.181 1.00 0.00 H new ATOM 237 N LEU A 15 21.772 34.251 18.964 1.00 0.00 N ATOM 238 CA LEU A 15 21.663 33.643 17.650 1.00 0.00 C ATOM 239 C LEU A 15 20.193 33.383 17.335 1.00 0.00 C ATOM 240 O LEU A 15 19.318 33.402 18.195 1.00 0.00 O ATOM 241 CB LEU A 15 22.487 32.361 17.563 1.00 0.00 C ATOM 242 CG LEU A 15 23.976 32.454 17.892 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.536 31.074 18.239 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.815 33.065 16.771 1.00 0.00 C ATOM 0 H LEU A 15 21.345 33.679 19.693 1.00 0.00 H new ATOM 0 HA LEU A 15 22.067 34.329 16.906 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.040 31.628 18.234 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.390 31.967 16.551 1.00 0.00 H new ATOM 0 HG LEU A 15 24.046 33.123 18.750 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.598 31.160 18.470 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.007 30.674 19.104 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.403 30.403 17.390 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.861 33.099 17.076 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.719 32.457 15.872 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.465 34.076 16.564 1.00 0.00 H new ATOM 256 N GLU A 16 19.951 33.216 16.030 1.00 0.00 N ATOM 257 CA GLU A 16 18.680 32.671 15.601 1.00 0.00 C ATOM 258 C GLU A 16 18.754 31.295 14.930 1.00 0.00 C ATOM 259 O GLU A 16 19.706 31.078 14.186 1.00 0.00 O ATOM 260 CB GLU A 16 17.929 33.632 14.682 1.00 0.00 C ATOM 261 CG GLU A 16 18.301 33.996 13.245 1.00 0.00 C ATOM 262 CD GLU A 16 19.534 34.870 13.122 1.00 0.00 C ATOM 263 OE1 GLU A 16 19.559 35.874 13.862 1.00 0.00 O ATOM 264 OE2 GLU A 16 20.492 34.584 12.363 1.00 0.00 O ATOM 0 H GLU A 16 20.603 33.446 15.280 1.00 0.00 H new ATOM 0 HA GLU A 16 18.134 32.535 16.535 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.910 33.250 14.631 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.888 34.578 15.221 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.463 33.078 12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.458 34.510 12.783 1.00 0.00 H new ATOM 271 N VAL A 17 18.018 30.275 15.373 1.00 0.00 N ATOM 272 CA VAL A 17 17.954 28.958 14.763 1.00 0.00 C ATOM 273 C VAL A 17 16.558 28.642 14.217 1.00 0.00 C ATOM 274 O VAL A 17 15.583 29.173 14.764 1.00 0.00 O ATOM 275 CB VAL A 17 18.509 27.961 15.777 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.994 28.030 16.112 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.646 27.891 17.038 1.00 0.00 C ATOM 0 H VAL A 17 17.428 30.353 16.201 1.00 0.00 H new ATOM 0 HA VAL A 17 18.573 28.900 13.868 1.00 0.00 H new ATOM 0 HB VAL A 17 18.442 27.021 15.230 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.238 27.261 16.845 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.579 27.867 15.207 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.229 29.011 16.524 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.076 27.170 17.733 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.610 28.873 17.509 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.636 27.580 16.771 1.00 0.00 H new ATOM 287 N GLU A 18 16.382 27.669 13.328 1.00 0.00 N ATOM 288 CA GLU A 18 15.143 26.994 12.993 1.00 0.00 C ATOM 289 C GLU A 18 15.218 25.582 13.584 1.00 0.00 C ATOM 290 O GLU A 18 16.309 25.136 13.930 1.00 0.00 O ATOM 291 CB GLU A 18 14.976 27.028 11.482 1.00 0.00 C ATOM 292 CG GLU A 18 14.749 28.431 10.918 1.00 0.00 C ATOM 293 CD GLU A 18 13.533 29.241 11.333 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.359 28.856 11.128 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.775 30.281 11.997 1.00 0.00 O ATOM 0 H GLU A 18 17.166 27.308 12.784 1.00 0.00 H new ATOM 0 HA GLU A 18 14.260 27.476 13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.864 26.599 11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.134 26.394 11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.630 29.024 11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.720 28.340 9.832 1.00 0.00 H new ATOM 302 N PRO A 19 14.151 24.832 13.796 1.00 0.00 N ATOM 303 CA PRO A 19 14.116 23.455 14.258 1.00 0.00 C ATOM 304 C PRO A 19 15.188 22.549 13.655 1.00 0.00 C ATOM 305 O PRO A 19 15.867 21.764 14.329 1.00 0.00 O ATOM 306 CB PRO A 19 12.681 22.955 14.063 1.00 0.00 C ATOM 307 CG PRO A 19 11.887 24.243 14.241 1.00 0.00 C ATOM 308 CD PRO A 19 12.810 25.386 13.825 1.00 0.00 C ATOM 0 HA PRO A 19 14.381 23.419 15.315 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.531 22.513 13.078 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.406 22.198 14.798 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.986 24.230 13.628 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.567 24.361 15.276 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.529 25.777 12.847 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.746 26.215 14.530 1.00 0.00 H new ATOM 316 N SER A 20 15.459 22.646 12.360 1.00 0.00 N ATOM 317 CA SER A 20 16.323 21.799 11.566 1.00 0.00 C ATOM 318 C SER A 20 17.831 22.026 11.698 1.00 0.00 C ATOM 319 O SER A 20 18.628 21.247 11.179 1.00 0.00 O ATOM 320 CB SER A 20 15.957 21.895 10.090 1.00 0.00 C ATOM 321 OG SER A 20 15.996 23.257 9.697 1.00 0.00 O ATOM 0 H SER A 20 15.041 23.385 11.795 1.00 0.00 H new ATOM 0 HA SER A 20 16.139 20.808 11.981 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.653 21.309 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.963 21.481 9.920 1.00 0.00 H new ATOM 0 HG SER A 20 15.764 23.330 8.748 1.00 0.00 H new ATOM 327 N ASP A 21 18.260 23.011 12.473 1.00 0.00 N ATOM 328 CA ASP A 21 19.679 23.271 12.596 1.00 0.00 C ATOM 329 C ASP A 21 20.296 22.316 13.626 1.00 0.00 C ATOM 330 O ASP A 21 19.893 22.209 14.783 1.00 0.00 O ATOM 331 CB ASP A 21 19.830 24.735 13.019 1.00 0.00 C ATOM 332 CG ASP A 21 19.665 25.780 11.922 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.884 25.528 10.718 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.312 26.941 12.234 1.00 0.00 O ATOM 0 H ASP A 21 17.657 23.630 13.015 1.00 0.00 H new ATOM 0 HA ASP A 21 20.202 23.103 11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.098 24.942 13.800 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.817 24.861 13.465 1.00 0.00 H new ATOM 339 N THR A 22 21.312 21.566 13.204 1.00 0.00 N ATOM 340 CA THR A 22 22.079 20.581 13.922 1.00 0.00 C ATOM 341 C THR A 22 23.132 21.356 14.731 1.00 0.00 C ATOM 342 O THR A 22 23.372 22.523 14.428 1.00 0.00 O ATOM 343 CB THR A 22 22.643 19.517 12.985 1.00 0.00 C ATOM 344 OG1 THR A 22 23.688 20.046 12.203 1.00 0.00 O ATOM 345 CG2 THR A 22 21.614 18.725 12.182 1.00 0.00 C ATOM 0 H THR A 22 21.645 21.653 12.244 1.00 0.00 H new ATOM 0 HA THR A 22 21.465 20.003 14.612 1.00 0.00 H new ATOM 0 HB THR A 22 23.062 18.748 13.634 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.366 20.834 11.717 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.126 17.998 11.551 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.943 18.204 12.865 1.00 0.00 H new ATOM 0 HG23 THR A 22 21.038 19.407 11.556 1.00 0.00 H new ATOM 353 N ILE A 23 23.967 20.652 15.486 1.00 0.00 N ATOM 354 CA ILE A 23 25.018 21.260 16.289 1.00 0.00 C ATOM 355 C ILE A 23 26.040 21.931 15.365 1.00 0.00 C ATOM 356 O ILE A 23 26.574 22.944 15.802 1.00 0.00 O ATOM 357 CB ILE A 23 25.638 20.115 17.093 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.648 19.399 18.016 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.869 20.572 17.864 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.636 20.265 18.760 1.00 0.00 C ATOM 0 H ILE A 23 23.932 19.635 15.558 1.00 0.00 H new ATOM 0 HA ILE A 23 24.645 22.035 16.959 1.00 0.00 H new ATOM 0 HB ILE A 23 25.947 19.378 16.352 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.097 18.671 17.420 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.220 18.838 18.755 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.281 19.732 18.423 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.618 20.946 17.166 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.590 21.366 18.557 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.998 19.631 19.376 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.163 20.976 19.396 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.022 20.807 18.040 1.00 0.00 H new ATOM 372 N GLU A 24 26.331 21.371 14.203 1.00 0.00 N ATOM 373 CA GLU A 24 27.172 21.932 13.162 1.00 0.00 C ATOM 374 C GLU A 24 26.744 23.320 12.687 1.00 0.00 C ATOM 375 O GLU A 24 27.559 24.221 12.480 1.00 0.00 O ATOM 376 CB GLU A 24 27.396 20.876 12.081 1.00 0.00 C ATOM 377 CG GLU A 24 28.538 21.205 11.117 1.00 0.00 C ATOM 378 CD GLU A 24 28.846 20.137 10.080 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.948 19.750 9.296 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.911 19.491 10.169 1.00 0.00 O ATOM 0 H GLU A 24 25.963 20.455 13.947 1.00 0.00 H new ATOM 0 HA GLU A 24 28.153 22.165 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.603 19.919 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.476 20.755 11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.296 22.132 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.440 21.392 11.700 1.00 0.00 H new ATOM 387 N ASN A 25 25.455 23.514 12.410 1.00 0.00 N ATOM 388 CA ASN A 25 24.743 24.705 11.999 1.00 0.00 C ATOM 389 C ASN A 25 24.792 25.742 13.123 1.00 0.00 C ATOM 390 O ASN A 25 24.917 26.914 12.776 1.00 0.00 O ATOM 391 CB ASN A 25 23.295 24.524 11.546 1.00 0.00 C ATOM 392 CG ASN A 25 22.993 23.518 10.442 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.729 22.369 10.781 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.153 23.917 9.188 1.00 0.00 N ATOM 0 H ASN A 25 24.808 22.729 12.481 1.00 0.00 H new ATOM 0 HA ASN A 25 25.269 25.032 11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.708 24.241 12.420 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.928 25.496 11.217 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.057 23.248 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.372 24.893 8.987 1.00 0.00 H new ATOM 401 N VAL A 26 24.760 25.369 14.397 1.00 0.00 N ATOM 402 CA VAL A 26 24.857 26.241 15.554 1.00 0.00 C ATOM 403 C VAL A 26 26.301 26.743 15.616 1.00 0.00 C ATOM 404 O VAL A 26 26.512 27.948 15.712 1.00 0.00 O ATOM 405 CB VAL A 26 24.525 25.529 16.852 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.675 26.394 18.097 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.064 25.099 16.735 1.00 0.00 C ATOM 0 H VAL A 26 24.659 24.389 14.662 1.00 0.00 H new ATOM 0 HA VAL A 26 24.137 27.052 15.445 1.00 0.00 H new ATOM 0 HB VAL A 26 25.224 24.702 16.978 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.419 25.809 18.980 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.706 26.740 18.178 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.008 27.253 18.025 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.764 24.578 17.644 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.436 25.979 16.597 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.948 24.433 15.880 1.00 0.00 H new ATOM 417 N LYS A 27 27.325 25.918 15.392 1.00 0.00 N ATOM 418 CA LYS A 27 28.719 26.328 15.478 1.00 0.00 C ATOM 419 C LYS A 27 29.217 27.210 14.341 1.00 0.00 C ATOM 420 O LYS A 27 30.046 28.106 14.490 1.00 0.00 O ATOM 421 CB LYS A 27 29.666 25.137 15.670 1.00 0.00 C ATOM 422 CG LYS A 27 29.493 24.310 16.945 1.00 0.00 C ATOM 423 CD LYS A 27 30.208 22.968 17.097 1.00 0.00 C ATOM 424 CE LYS A 27 29.842 21.885 16.082 1.00 0.00 C ATOM 425 NZ LYS A 27 30.511 20.611 16.354 1.00 0.00 N ATOM 0 H LYS A 27 27.204 24.936 15.143 1.00 0.00 H new ATOM 0 HA LYS A 27 28.736 26.955 16.369 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.549 24.470 14.816 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.690 25.511 15.645 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.803 24.937 17.781 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.426 24.123 17.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.282 23.144 17.037 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.004 22.583 18.096 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.763 21.734 16.091 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.108 22.225 15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.297 19.937 15.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.539 20.762 16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.173 20.228 17.260 1.00 0.00 H new ATOM 439 N ALA A 28 28.677 27.046 13.135 1.00 0.00 N ATOM 440 CA ALA A 28 28.812 27.856 11.941 1.00 0.00 C ATOM 441 C ALA A 28 28.218 29.256 12.113 1.00 0.00 C ATOM 442 O ALA A 28 28.797 30.198 11.579 1.00 0.00 O ATOM 443 CB ALA A 28 28.254 27.242 10.659 1.00 0.00 C ATOM 0 H ALA A 28 28.066 26.249 12.959 1.00 0.00 H new ATOM 0 HA ALA A 28 29.893 27.915 11.817 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.408 27.931 9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.768 26.304 10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.188 27.052 10.781 1.00 0.00 H new ATOM 449 N LYS A 29 27.142 29.433 12.865 1.00 0.00 N ATOM 450 CA LYS A 29 26.579 30.745 13.129 1.00 0.00 C ATOM 451 C LYS A 29 27.497 31.444 14.133 1.00 0.00 C ATOM 452 O LYS A 29 27.549 32.672 14.109 1.00 0.00 O ATOM 453 CB LYS A 29 25.168 30.594 13.684 1.00 0.00 C ATOM 454 CG LYS A 29 24.205 30.173 12.569 1.00 0.00 C ATOM 455 CD LYS A 29 22.778 29.871 13.031 1.00 0.00 C ATOM 456 CE LYS A 29 22.002 29.003 12.034 1.00 0.00 C ATOM 457 NZ LYS A 29 21.739 29.762 10.799 1.00 0.00 N ATOM 0 H LYS A 29 26.635 28.668 13.310 1.00 0.00 H new ATOM 0 HA LYS A 29 26.512 31.338 12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.160 29.851 14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.839 31.536 14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.169 30.965 11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.607 29.288 12.077 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.813 29.365 13.996 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.244 30.809 13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.572 28.103 11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.061 28.679 12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.213 29.165 10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.177 30.608 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 22.641 30.050 10.370 1.00 0.00 H new ATOM 471 N ILE A 30 28.194 30.759 15.033 1.00 0.00 N ATOM 472 CA ILE A 30 29.057 31.254 16.088 1.00 0.00 C ATOM 473 C ILE A 30 30.370 31.783 15.486 1.00 0.00 C ATOM 474 O ILE A 30 30.892 32.806 15.915 1.00 0.00 O ATOM 475 CB ILE A 30 29.256 30.287 17.250 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.882 30.156 17.890 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.198 30.755 18.367 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.877 28.871 18.718 1.00 0.00 C ATOM 0 H ILE A 30 28.162 29.740 15.038 1.00 0.00 H new ATOM 0 HA ILE A 30 28.542 32.090 16.560 1.00 0.00 H new ATOM 0 HB ILE A 30 29.702 29.381 16.839 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.670 31.019 18.521 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.106 30.122 17.126 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.260 29.986 19.137 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.190 30.936 17.954 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.813 31.676 18.805 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.903 28.747 19.192 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.076 28.019 18.068 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.649 28.930 19.485 1.00 0.00 H new ATOM 490 N GLN A 31 30.910 31.172 14.433 1.00 0.00 N ATOM 491 CA GLN A 31 32.058 31.653 13.686 1.00 0.00 C ATOM 492 C GLN A 31 31.727 33.015 13.057 1.00 0.00 C ATOM 493 O GLN A 31 32.606 33.868 13.123 1.00 0.00 O ATOM 494 CB GLN A 31 32.464 30.521 12.753 1.00 0.00 C ATOM 495 CG GLN A 31 33.564 30.985 11.800 1.00 0.00 C ATOM 496 CD GLN A 31 34.010 29.814 10.938 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.136 29.349 11.084 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.139 29.353 10.045 1.00 0.00 N ATOM 0 H GLN A 31 30.541 30.294 14.067 1.00 0.00 H new ATOM 0 HA GLN A 31 32.937 31.877 14.290 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.814 29.669 13.336 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.599 30.183 12.183 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.197 31.796 11.170 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.409 31.378 12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.215 29.778 9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.395 28.574 9.438 1.00 0.00 H new ATOM 507 N ASP A 32 30.536 33.182 12.491 1.00 0.00 N ATOM 508 CA ASP A 32 30.072 34.411 11.892 1.00 0.00 C ATOM 509 C ASP A 32 29.933 35.674 12.757 1.00 0.00 C ATOM 510 O ASP A 32 30.019 36.796 12.268 1.00 0.00 O ATOM 511 CB ASP A 32 28.727 34.092 11.229 1.00 0.00 C ATOM 512 CG ASP A 32 28.057 35.234 10.478 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.736 35.966 9.719 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.809 35.215 10.531 1.00 0.00 O ATOM 0 H ASP A 32 29.847 32.431 12.439 1.00 0.00 H new ATOM 0 HA ASP A 32 30.874 34.706 11.215 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.876 33.266 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.041 33.740 11.999 1.00 0.00 H new ATOM 519 N LYS A 33 29.865 35.503 14.076 1.00 0.00 N ATOM 520 CA LYS A 33 29.895 36.613 15.002 1.00 0.00 C ATOM 521 C LYS A 33 31.298 36.730 15.597 1.00 0.00 C ATOM 522 O LYS A 33 31.879 37.796 15.439 1.00 0.00 O ATOM 523 CB LYS A 33 28.970 36.415 16.208 1.00 0.00 C ATOM 524 CG LYS A 33 27.556 35.912 15.908 1.00 0.00 C ATOM 525 CD LYS A 33 26.851 36.452 14.670 1.00 0.00 C ATOM 526 CE LYS A 33 25.679 35.616 14.142 1.00 0.00 C ATOM 527 NZ LYS A 33 25.215 35.914 12.787 1.00 0.00 N ATOM 0 H LYS A 33 29.788 34.590 14.523 1.00 0.00 H new ATOM 0 HA LYS A 33 29.582 37.487 14.431 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.445 35.710 16.891 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.889 37.365 16.736 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.600 34.826 15.820 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.931 36.137 16.772 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.484 37.454 14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.587 36.553 13.873 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.967 34.565 14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.838 35.740 14.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.323 35.410 12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.060 36.938 12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.932 35.606 12.099 1.00 0.00 H new ATOM 541 N GLU A 34 31.977 35.631 15.937 1.00 0.00 N ATOM 542 CA GLU A 34 33.060 35.621 16.901 1.00 0.00 C ATOM 543 C GLU A 34 34.368 35.029 16.364 1.00 0.00 C ATOM 544 O GLU A 34 35.363 35.043 17.082 1.00 0.00 O ATOM 545 CB GLU A 34 32.579 35.152 18.270 1.00 0.00 C ATOM 546 CG GLU A 34 33.401 35.649 19.461 1.00 0.00 C ATOM 547 CD GLU A 34 33.238 37.098 19.907 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.296 37.782 19.451 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.045 37.567 20.744 1.00 0.00 O ATOM 0 H GLU A 34 31.780 34.713 15.539 1.00 0.00 H new ATOM 0 HA GLU A 34 33.373 36.650 17.077 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.546 35.474 18.403 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.577 34.062 18.282 1.00 0.00 H new ATOM 0 HG2 GLU A 34 33.167 35.012 20.314 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.454 35.492 19.225 1.00 0.00 H new ATOM 556 N GLY A 35 34.385 34.503 15.143 1.00 0.00 N ATOM 557 CA GLY A 35 35.548 33.999 14.438 1.00 0.00 C ATOM 558 C GLY A 35 36.302 32.803 15.008 1.00 0.00 C ATOM 559 O GLY A 35 37.413 32.567 14.549 1.00 0.00 O ATOM 0 H GLY A 35 33.533 34.414 14.590 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.232 33.737 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.258 34.821 14.346 1.00 0.00 H new ATOM 563 N ILE A 36 35.811 32.106 16.031 1.00 0.00 N ATOM 564 CA ILE A 36 36.291 30.894 16.665 1.00 0.00 C ATOM 565 C ILE A 36 35.926 29.765 15.712 1.00 0.00 C ATOM 566 O ILE A 36 34.840 29.835 15.130 1.00 0.00 O ATOM 567 CB ILE A 36 35.479 30.695 17.946 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.314 31.896 18.872 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.107 29.560 18.762 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.733 31.591 20.251 1.00 0.00 C ATOM 0 H ILE A 36 34.957 32.426 16.488 1.00 0.00 H new ATOM 0 HA ILE A 36 37.358 30.929 16.884 1.00 0.00 H new ATOM 0 HB ILE A 36 34.474 30.482 17.581 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.288 32.367 19.004 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.671 32.626 18.380 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.535 29.410 19.678 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.098 28.642 18.175 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.135 29.819 19.015 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.659 32.514 20.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.742 31.152 20.139 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.384 30.889 20.773 1.00 0.00 H new ATOM 582 N PRO A 37 36.802 28.825 15.379 1.00 0.00 N ATOM 583 CA PRO A 37 36.492 27.811 14.397 1.00 0.00 C ATOM 584 C PRO A 37 35.439 26.786 14.856 1.00 0.00 C ATOM 585 O PRO A 37 35.468 26.547 16.063 1.00 0.00 O ATOM 586 CB PRO A 37 37.811 27.128 14.034 1.00 0.00 C ATOM 587 CG PRO A 37 38.716 27.490 15.212 1.00 0.00 C ATOM 588 CD PRO A 37 38.180 28.781 15.828 1.00 0.00 C ATOM 0 HA PRO A 37 36.033 28.291 13.533 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.693 26.049 13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.210 27.496 13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.723 26.688 15.950 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.745 27.624 14.877 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.247 28.764 16.916 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.741 29.651 15.487 1.00 0.00 H new ATOM 596 N PRO A 38 34.566 26.249 14.018 1.00 0.00 N ATOM 597 CA PRO A 38 33.531 25.324 14.427 1.00 0.00 C ATOM 598 C PRO A 38 33.926 23.948 14.957 1.00 0.00 C ATOM 599 O PRO A 38 33.299 23.348 15.834 1.00 0.00 O ATOM 600 CB PRO A 38 32.613 25.148 13.208 1.00 0.00 C ATOM 601 CG PRO A 38 33.443 25.578 11.996 1.00 0.00 C ATOM 602 CD PRO A 38 34.529 26.475 12.583 1.00 0.00 C ATOM 0 HA PRO A 38 33.077 25.779 15.307 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.286 24.113 13.111 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.715 25.758 13.303 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.872 24.718 11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.835 26.114 11.267 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.496 26.246 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.317 27.522 12.367 1.00 0.00 H new ATOM 610 N ASP A 39 34.947 23.437 14.279 1.00 0.00 N ATOM 611 CA ASP A 39 35.644 22.174 14.439 1.00 0.00 C ATOM 612 C ASP A 39 36.059 21.867 15.877 1.00 0.00 C ATOM 613 O ASP A 39 35.575 20.870 16.383 1.00 0.00 O ATOM 614 CB ASP A 39 36.745 21.976 13.394 1.00 0.00 C ATOM 615 CG ASP A 39 37.469 20.636 13.413 1.00 0.00 C ATOM 616 OD1 ASP A 39 36.824 19.572 13.268 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.713 20.631 13.508 1.00 0.00 O ATOM 0 H ASP A 39 35.353 23.969 13.509 1.00 0.00 H new ATOM 0 HA ASP A 39 34.910 21.397 14.226 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.305 22.112 12.406 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.485 22.765 13.525 1.00 0.00 H new ATOM 622 N GLN A 40 36.690 22.825 16.563 1.00 0.00 N ATOM 623 CA GLN A 40 37.089 22.894 17.950 1.00 0.00 C ATOM 624 C GLN A 40 35.917 23.085 18.905 1.00 0.00 C ATOM 625 O GLN A 40 36.053 22.653 20.054 1.00 0.00 O ATOM 626 CB GLN A 40 38.118 24.026 18.099 1.00 0.00 C ATOM 627 CG GLN A 40 39.277 23.890 17.116 1.00 0.00 C ATOM 628 CD GLN A 40 40.286 22.831 17.528 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.104 22.175 18.554 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.347 22.545 16.784 1.00 0.00 N ATOM 0 H GLN A 40 36.964 23.681 16.080 1.00 0.00 H new ATOM 0 HA GLN A 40 37.531 21.937 18.228 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.624 24.985 17.944 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.507 24.028 19.117 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.883 23.644 16.130 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.784 24.851 17.026 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.526 23.070 15.928 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.983 21.800 17.068 1.00 0.00 H new ATOM 639 N GLN A 41 34.766 23.654 18.558 1.00 0.00 N ATOM 640 CA GLN A 41 33.663 23.950 19.450 1.00 0.00 C ATOM 641 C GLN A 41 32.886 22.665 19.766 1.00 0.00 C ATOM 642 O GLN A 41 32.441 21.920 18.891 1.00 0.00 O ATOM 643 CB GLN A 41 32.817 25.098 18.904 1.00 0.00 C ATOM 644 CG GLN A 41 33.448 26.485 18.864 1.00 0.00 C ATOM 645 CD GLN A 41 32.639 27.515 18.096 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.431 27.678 18.268 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.231 28.176 17.101 1.00 0.00 N ATOM 0 H GLN A 41 34.574 23.933 17.596 1.00 0.00 H new ATOM 0 HA GLN A 41 34.037 24.312 20.408 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.513 24.838 17.890 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.908 25.160 19.503 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.588 26.838 19.886 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.438 26.409 18.415 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.231 28.060 16.935 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.684 28.798 16.505 1.00 0.00 H new ATOM 656 N ARG A 42 32.651 22.371 21.037 1.00 0.00 N ATOM 657 CA ARG A 42 31.701 21.386 21.520 1.00 0.00 C ATOM 658 C ARG A 42 30.536 22.117 22.192 1.00 0.00 C ATOM 659 O ARG A 42 30.654 23.246 22.666 1.00 0.00 O ATOM 660 CB ARG A 42 32.297 20.390 22.522 1.00 0.00 C ATOM 661 CG ARG A 42 33.193 19.402 21.778 1.00 0.00 C ATOM 662 CD ARG A 42 33.624 18.276 22.719 1.00 0.00 C ATOM 663 NE ARG A 42 34.445 18.645 23.872 1.00 0.00 N ATOM 664 CZ ARG A 42 34.743 18.002 25.007 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.228 16.784 25.252 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.599 18.526 25.885 1.00 0.00 N ATOM 0 H ARG A 42 33.145 22.839 21.797 1.00 0.00 H new ATOM 0 HA ARG A 42 31.379 20.808 20.654 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.872 20.920 23.281 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.500 19.857 23.040 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.660 18.988 20.922 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.071 19.917 21.388 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.725 17.782 23.089 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.175 17.539 22.134 1.00 0.00 H new ATOM 0 HE ARG A 42 34.872 19.568 23.796 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.607 16.346 24.571 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.458 16.298 26.119 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.036 19.428 25.695 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.817 18.025 26.746 1.00 0.00 H new ATOM 680 N LEU A 43 29.432 21.394 22.341 1.00 0.00 N ATOM 681 CA LEU A 43 28.336 21.746 23.224 1.00 0.00 C ATOM 682 C LEU A 43 28.151 20.528 24.128 1.00 0.00 C ATOM 683 O LEU A 43 27.654 19.486 23.713 1.00 0.00 O ATOM 684 CB LEU A 43 27.021 22.000 22.479 1.00 0.00 C ATOM 685 CG LEU A 43 27.083 23.039 21.359 1.00 0.00 C ATOM 686 CD1 LEU A 43 25.752 23.185 20.612 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.410 24.412 21.947 1.00 0.00 C ATOM 0 H LEU A 43 29.274 20.523 21.835 1.00 0.00 H new ATOM 0 HA LEU A 43 28.572 22.668 23.755 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.677 21.056 22.056 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.270 22.317 23.203 1.00 0.00 H new ATOM 0 HG LEU A 43 27.849 22.693 20.665 1.00 0.00 H new ATOM 0 HD11 LEU A 43 25.855 23.936 19.828 1.00 0.00 H new ATOM 0 HD12 LEU A 43 25.479 22.229 20.165 1.00 0.00 H new ATOM 0 HD13 LEU A 43 24.975 23.494 21.311 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.453 25.150 21.146 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.636 24.696 22.660 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.374 24.370 22.454 1.00 0.00 H new ATOM 699 N ILE A 44 28.590 20.734 25.368 1.00 0.00 N ATOM 700 CA ILE A 44 28.339 19.977 26.580 1.00 0.00 C ATOM 701 C ILE A 44 27.129 20.723 27.145 1.00 0.00 C ATOM 702 O ILE A 44 27.224 21.944 27.282 1.00 0.00 O ATOM 703 CB ILE A 44 29.469 19.769 27.581 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.827 19.534 26.914 1.00 0.00 C ATOM 705 CG2 ILE A 44 29.275 18.725 28.676 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.162 18.094 26.512 1.00 0.00 C ATOM 0 H ILE A 44 29.200 21.528 25.563 1.00 0.00 H new ATOM 0 HA ILE A 44 28.190 18.922 26.349 1.00 0.00 H new ATOM 0 HB ILE A 44 29.444 20.730 28.094 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.878 20.156 26.021 1.00 0.00 H new ATOM 0 HG13 ILE A 44 31.604 19.886 27.593 1.00 0.00 H new ATOM 0 HG21 ILE A 44 30.162 18.692 29.309 1.00 0.00 H new ATOM 0 HG22 ILE A 44 28.407 18.989 29.281 1.00 0.00 H new ATOM 0 HG23 ILE A 44 29.117 17.747 28.222 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.149 18.065 26.051 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.156 17.458 27.397 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.419 17.733 25.801 1.00 0.00 H new ATOM 718 N PHE A 45 26.014 20.095 27.510 1.00 0.00 N ATOM 719 CA PHE A 45 24.761 20.672 27.938 1.00 0.00 C ATOM 720 C PHE A 45 23.972 19.664 28.777 1.00 0.00 C ATOM 721 O PHE A 45 23.678 18.588 28.262 1.00 0.00 O ATOM 722 CB PHE A 45 24.057 21.339 26.748 1.00 0.00 C ATOM 723 CG PHE A 45 22.778 22.027 27.171 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.803 23.371 27.574 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.525 21.413 27.105 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.666 24.113 27.909 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.361 22.133 27.416 1.00 0.00 C ATOM 728 CZ PHE A 45 20.431 23.461 27.844 1.00 0.00 C ATOM 0 H PHE A 45 25.970 19.076 27.510 1.00 0.00 H new ATOM 0 HA PHE A 45 24.902 21.500 28.633 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.727 22.066 26.289 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.833 20.589 25.990 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.762 23.864 27.629 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.451 20.376 26.812 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.739 25.149 28.206 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.398 21.654 27.323 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.529 23.985 28.125 1.00 0.00 H new ATOM 738 N ALA A 46 23.687 19.937 30.050 1.00 0.00 N ATOM 739 CA ALA A 46 23.092 19.066 31.041 1.00 0.00 C ATOM 740 C ALA A 46 23.952 17.809 31.244 1.00 0.00 C ATOM 741 O ALA A 46 23.433 16.740 31.573 1.00 0.00 O ATOM 742 CB ALA A 46 21.654 18.798 30.609 1.00 0.00 C ATOM 0 H ALA A 46 23.888 20.858 30.440 1.00 0.00 H new ATOM 0 HA ALA A 46 23.059 19.529 32.027 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.172 18.143 31.335 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.109 19.740 30.553 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.651 18.319 29.630 1.00 0.00 H new ATOM 748 N GLY A 47 25.243 17.996 31.010 1.00 0.00 N ATOM 749 CA GLY A 47 26.243 16.969 31.184 1.00 0.00 C ATOM 750 C GLY A 47 26.582 16.338 29.830 1.00 0.00 C ATOM 751 O GLY A 47 27.686 15.831 29.630 1.00 0.00 O ATOM 0 H GLY A 47 25.625 18.885 30.688 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.141 17.395 31.632 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.877 16.205 31.870 1.00 0.00 H new ATOM 755 N LYS A 48 25.653 16.390 28.888 1.00 0.00 N ATOM 756 CA LYS A 48 25.696 15.533 27.716 1.00 0.00 C ATOM 757 C LYS A 48 26.415 16.219 26.555 1.00 0.00 C ATOM 758 O LYS A 48 26.228 17.408 26.321 1.00 0.00 O ATOM 759 CB LYS A 48 24.242 15.201 27.363 1.00 0.00 C ATOM 760 CG LYS A 48 24.161 13.999 26.420 1.00 0.00 C ATOM 761 CD LYS A 48 22.709 13.574 26.201 1.00 0.00 C ATOM 762 CE LYS A 48 22.601 12.138 25.701 1.00 0.00 C ATOM 763 NZ LYS A 48 21.262 11.927 25.123 1.00 0.00 N ATOM 0 H LYS A 48 24.854 17.023 28.915 1.00 0.00 H new ATOM 0 HA LYS A 48 26.259 14.622 27.919 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.683 14.989 28.275 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.772 16.066 26.895 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.619 14.251 25.463 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.729 13.167 26.836 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.157 13.674 27.136 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.240 14.244 25.481 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.369 11.942 24.952 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.770 11.441 26.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.182 10.948 24.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.539 12.099 25.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.119 12.585 24.330 1.00 0.00 H new ATOM 777 N GLN A 49 27.296 15.472 25.895 1.00 0.00 N ATOM 778 CA GLN A 49 27.941 15.905 24.663 1.00 0.00 C ATOM 779 C GLN A 49 26.908 15.913 23.532 1.00 0.00 C ATOM 780 O GLN A 49 26.312 14.860 23.345 1.00 0.00 O ATOM 781 CB GLN A 49 29.142 15.024 24.315 1.00 0.00 C ATOM 782 CG GLN A 49 30.348 15.609 23.588 1.00 0.00 C ATOM 783 CD GLN A 49 30.161 15.730 22.087 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.888 16.567 21.563 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.311 14.965 21.393 1.00 0.00 N ATOM 0 H GLN A 49 27.583 14.543 26.204 1.00 0.00 H new ATOM 0 HA GLN A 49 28.327 16.915 24.803 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.507 14.594 25.248 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.770 14.199 23.708 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.564 16.596 23.998 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.218 14.984 23.787 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.727 14.283 21.877 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.247 15.064 20.380 1.00 0.00 H new ATOM 794 N LEU A 50 26.623 17.036 22.889 1.00 0.00 N ATOM 795 CA LEU A 50 25.615 17.072 21.844 1.00 0.00 C ATOM 796 C LEU A 50 26.297 16.556 20.568 1.00 0.00 C ATOM 797 O LEU A 50 27.256 17.144 20.081 1.00 0.00 O ATOM 798 CB LEU A 50 25.163 18.516 21.649 1.00 0.00 C ATOM 799 CG LEU A 50 24.596 19.289 22.841 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.729 20.487 22.472 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.566 18.478 23.633 1.00 0.00 C ATOM 0 H LEU A 50 27.075 17.931 23.073 1.00 0.00 H new ATOM 0 HA LEU A 50 24.744 16.466 22.091 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.016 19.078 21.270 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.405 18.519 20.866 1.00 0.00 H new ATOM 0 HG LEU A 50 25.512 19.551 23.371 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.372 20.972 23.381 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.317 21.196 21.889 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.876 20.151 21.882 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.197 19.075 24.467 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.734 18.211 22.981 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.033 17.570 24.015 1.00 0.00 H new ATOM 813 N GLU A 51 25.756 15.521 19.943 1.00 0.00 N ATOM 814 CA GLU A 51 26.371 14.898 18.791 1.00 0.00 C ATOM 815 C GLU A 51 26.057 15.694 17.525 1.00 0.00 C ATOM 816 O GLU A 51 25.001 16.301 17.386 1.00 0.00 O ATOM 817 CB GLU A 51 25.716 13.523 18.661 1.00 0.00 C ATOM 818 CG GLU A 51 26.139 12.523 19.733 1.00 0.00 C ATOM 819 CD GLU A 51 27.485 11.855 19.474 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.895 11.714 18.305 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.150 11.354 20.406 1.00 0.00 O ATOM 0 H GLU A 51 24.875 15.091 20.225 1.00 0.00 H new ATOM 0 HA GLU A 51 27.453 14.845 18.911 1.00 0.00 H new ATOM 0 HB2 GLU A 51 24.633 13.644 18.700 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.955 13.110 17.681 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.180 13.035 20.694 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.374 11.751 19.815 1.00 0.00 H new ATOM 828 N ASP A 52 27.086 15.851 16.694 1.00 0.00 N ATOM 829 CA ASP A 52 26.833 16.389 15.380 1.00 0.00 C ATOM 830 C ASP A 52 25.979 15.420 14.560 1.00 0.00 C ATOM 831 O ASP A 52 26.353 14.258 14.411 1.00 0.00 O ATOM 832 CB ASP A 52 28.169 16.727 14.715 1.00 0.00 C ATOM 833 CG ASP A 52 29.026 17.813 15.345 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.532 17.599 16.470 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.331 18.826 14.678 1.00 0.00 O ATOM 0 H ASP A 52 28.058 15.622 16.903 1.00 0.00 H new ATOM 0 HA ASP A 52 26.257 17.312 15.450 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.763 15.814 14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.965 17.019 13.685 1.00 0.00 H new ATOM 840 N GLY A 53 24.764 15.825 14.221 1.00 0.00 N ATOM 841 CA GLY A 53 23.744 15.169 13.427 1.00 0.00 C ATOM 842 C GLY A 53 22.337 15.351 14.003 1.00 0.00 C ATOM 843 O GLY A 53 21.336 15.057 13.348 1.00 0.00 O ATOM 0 H GLY A 53 24.433 16.736 14.538 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.770 15.564 12.412 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.970 14.105 13.361 1.00 0.00 H new ATOM 847 N ARG A 54 22.269 15.660 15.293 1.00 0.00 N ATOM 848 CA ARG A 54 21.007 15.796 15.985 1.00 0.00 C ATOM 849 C ARG A 54 20.668 17.287 16.020 1.00 0.00 C ATOM 850 O ARG A 54 21.562 18.120 15.958 1.00 0.00 O ATOM 851 CB ARG A 54 21.125 15.177 17.382 1.00 0.00 C ATOM 852 CG ARG A 54 21.860 13.838 17.451 1.00 0.00 C ATOM 853 CD ARG A 54 21.669 13.090 18.775 1.00 0.00 C ATOM 854 NE ARG A 54 20.554 12.147 18.722 1.00 0.00 N ATOM 855 CZ ARG A 54 20.606 10.910 18.205 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.750 10.403 17.726 1.00 0.00 N ATOM 857 NH2 ARG A 54 19.559 10.075 18.214 1.00 0.00 N ATOM 0 H ARG A 54 23.087 15.821 15.880 1.00 0.00 H new ATOM 0 HA ARG A 54 20.199 15.267 15.479 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.637 15.886 18.032 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.122 15.042 17.786 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.516 13.204 16.634 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.925 14.011 17.293 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.585 12.553 19.022 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.496 13.810 19.575 1.00 0.00 H new ATOM 0 HE ARG A 54 19.662 12.455 19.110 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.604 10.960 17.750 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.767 9.460 17.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.674 10.371 18.626 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.646 9.143 17.809 1.00 0.00 H new ATOM 871 N THR A 55 19.396 17.678 16.142 1.00 0.00 N ATOM 872 CA THR A 55 18.924 19.040 16.238 1.00 0.00 C ATOM 873 C THR A 55 18.775 19.389 17.725 1.00 0.00 C ATOM 874 O THR A 55 18.760 18.542 18.608 1.00 0.00 O ATOM 875 CB THR A 55 17.581 19.105 15.505 1.00 0.00 C ATOM 876 OG1 THR A 55 16.631 18.169 15.957 1.00 0.00 O ATOM 877 CG2 THR A 55 17.592 18.865 13.997 1.00 0.00 C ATOM 0 H THR A 55 18.632 17.003 16.177 1.00 0.00 H new ATOM 0 HA THR A 55 19.612 19.755 15.787 1.00 0.00 H new ATOM 0 HB THR A 55 17.330 20.141 15.730 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.826 18.640 16.259 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.576 18.940 13.609 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.221 19.613 13.514 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.986 17.870 13.790 1.00 0.00 H new ATOM 885 N LEU A 56 18.526 20.673 17.976 1.00 0.00 N ATOM 886 CA LEU A 56 18.267 21.227 19.289 1.00 0.00 C ATOM 887 C LEU A 56 16.969 20.684 19.876 1.00 0.00 C ATOM 888 O LEU A 56 16.957 20.222 21.006 1.00 0.00 O ATOM 889 CB LEU A 56 18.332 22.749 19.185 1.00 0.00 C ATOM 890 CG LEU A 56 19.656 23.315 18.663 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.418 24.813 18.406 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.833 23.039 19.595 1.00 0.00 C ATOM 0 H LEU A 56 18.500 21.376 17.238 1.00 0.00 H new ATOM 0 HA LEU A 56 19.029 20.915 20.003 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.529 23.086 18.530 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.139 23.172 20.171 1.00 0.00 H new ATOM 0 HG LEU A 56 19.948 22.816 17.739 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.335 25.268 18.031 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.625 24.934 17.668 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.126 25.300 19.336 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.742 23.465 19.170 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.641 23.492 20.568 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.958 21.963 19.714 1.00 0.00 H new ATOM 904 N SER A 57 15.881 20.671 19.102 1.00 0.00 N ATOM 905 CA SER A 57 14.682 19.869 19.269 1.00 0.00 C ATOM 906 C SER A 57 14.835 18.386 19.605 1.00 0.00 C ATOM 907 O SER A 57 14.095 17.876 20.436 1.00 0.00 O ATOM 908 CB SER A 57 13.703 20.134 18.130 1.00 0.00 C ATOM 909 OG SER A 57 14.211 19.789 16.849 1.00 0.00 O ATOM 0 H SER A 57 15.818 21.271 18.279 1.00 0.00 H new ATOM 0 HA SER A 57 14.266 20.227 20.210 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.787 19.572 18.312 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.434 21.190 18.132 1.00 0.00 H new ATOM 0 HG SER A 57 13.535 19.982 16.166 1.00 0.00 H new ATOM 915 N ASP A 58 15.775 17.654 19.027 1.00 0.00 N ATOM 916 CA ASP A 58 16.141 16.316 19.455 1.00 0.00 C ATOM 917 C ASP A 58 16.688 16.189 20.884 1.00 0.00 C ATOM 918 O ASP A 58 16.350 15.318 21.676 1.00 0.00 O ATOM 919 CB ASP A 58 17.178 15.734 18.504 1.00 0.00 C ATOM 920 CG ASP A 58 16.776 15.501 17.051 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.728 14.882 16.758 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.610 15.833 16.176 1.00 0.00 O ATOM 0 H ASP A 58 16.317 17.984 18.228 1.00 0.00 H new ATOM 0 HA ASP A 58 15.199 15.768 19.441 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.042 16.398 18.508 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.508 14.780 18.915 1.00 0.00 H new ATOM 927 N TYR A 59 17.415 17.215 21.323 1.00 0.00 N ATOM 928 CA TYR A 59 17.812 17.381 22.701 1.00 0.00 C ATOM 929 C TYR A 59 16.839 18.171 23.590 1.00 0.00 C ATOM 930 O TYR A 59 17.134 18.594 24.701 1.00 0.00 O ATOM 931 CB TYR A 59 19.172 18.066 22.704 1.00 0.00 C ATOM 932 CG TYR A 59 20.235 17.113 22.205 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.660 16.011 22.947 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.036 17.497 21.118 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.638 15.114 22.484 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.051 16.663 20.646 1.00 0.00 C ATOM 937 CZ TYR A 59 22.314 15.459 21.303 1.00 0.00 C ATOM 938 OH TYR A 59 23.367 14.726 20.842 1.00 0.00 O ATOM 0 H TYR A 59 17.745 17.962 20.712 1.00 0.00 H new ATOM 0 HA TYR A 59 17.830 16.384 23.140 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.142 18.953 22.072 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.417 18.401 23.712 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.219 15.840 23.918 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.865 18.450 20.641 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.860 14.199 23.014 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.629 16.947 19.779 1.00 0.00 H new ATOM 0 HH TYR A 59 23.258 13.790 21.113 1.00 0.00 H new ATOM 948 N ASN A 60 15.638 18.427 23.086 1.00 0.00 N ATOM 949 CA ASN A 60 14.566 19.111 23.784 1.00 0.00 C ATOM 950 C ASN A 60 15.019 20.472 24.321 1.00 0.00 C ATOM 951 O ASN A 60 14.593 20.989 25.348 1.00 0.00 O ATOM 952 CB ASN A 60 13.672 18.247 24.669 1.00 0.00 C ATOM 953 CG ASN A 60 14.434 17.463 25.739 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.737 17.936 26.829 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.747 16.208 25.429 1.00 0.00 N ATOM 0 H ASN A 60 15.377 18.150 22.139 1.00 0.00 H new ATOM 0 HA ASN A 60 13.816 19.360 23.033 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.934 18.884 25.156 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.123 17.546 24.040 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.246 15.626 26.102 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.488 15.828 24.518 1.00 0.00 H new ATOM 962 N ILE A 61 15.689 21.199 23.438 1.00 0.00 N ATOM 963 CA ILE A 61 16.150 22.563 23.556 1.00 0.00 C ATOM 964 C ILE A 61 15.236 23.474 22.737 1.00 0.00 C ATOM 965 O ILE A 61 15.227 23.234 21.528 1.00 0.00 O ATOM 966 CB ILE A 61 17.645 22.624 23.253 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.522 21.740 24.141 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.093 24.089 23.331 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.044 21.861 23.972 1.00 0.00 C ATOM 0 H ILE A 61 15.945 20.803 22.534 1.00 0.00 H new ATOM 0 HA ILE A 61 16.073 22.947 24.573 1.00 0.00 H new ATOM 0 HB ILE A 61 17.782 22.217 22.251 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.280 21.960 25.181 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.244 20.701 23.962 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.160 24.155 23.117 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.539 24.678 22.600 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.899 24.476 24.331 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.542 21.180 24.662 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.318 21.606 22.948 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.354 22.884 24.186 1.00 0.00 H new ATOM 981 N GLN A 62 14.441 24.249 23.460 1.00 0.00 N ATOM 982 CA GLN A 62 13.382 25.128 23.001 1.00 0.00 C ATOM 983 C GLN A 62 13.775 26.607 23.055 1.00 0.00 C ATOM 984 O GLN A 62 14.836 26.997 23.533 1.00 0.00 O ATOM 985 CB GLN A 62 12.240 24.928 23.993 1.00 0.00 C ATOM 986 CG GLN A 62 11.934 23.478 24.361 1.00 0.00 C ATOM 987 CD GLN A 62 11.397 22.511 23.309 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.887 22.965 22.277 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.609 21.211 23.456 1.00 0.00 N ATOM 0 H GLN A 62 14.532 24.279 24.476 1.00 0.00 H new ATOM 0 HA GLN A 62 13.136 24.891 21.966 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.476 25.474 24.906 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.338 25.377 23.577 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.853 23.045 24.757 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.213 23.498 25.178 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.031 20.857 24.315 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.351 20.565 22.710 1.00 0.00 H new ATOM 998 N LYS A 63 12.925 27.423 22.438 1.00 0.00 N ATOM 999 CA LYS A 63 12.855 28.863 22.467 1.00 0.00 C ATOM 1000 C LYS A 63 13.685 29.590 23.533 1.00 0.00 C ATOM 1001 O LYS A 63 13.268 29.629 24.681 1.00 0.00 O ATOM 1002 CB LYS A 63 11.398 29.297 22.302 1.00 0.00 C ATOM 1003 CG LYS A 63 11.176 30.813 22.212 1.00 0.00 C ATOM 1004 CD LYS A 63 9.738 31.118 21.802 1.00 0.00 C ATOM 1005 CE LYS A 63 9.459 32.618 21.815 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.854 33.274 23.073 1.00 0.00 N ATOM 0 H LYS A 63 12.192 27.038 21.842 1.00 0.00 H new ATOM 0 HA LYS A 63 13.409 29.230 21.603 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.997 28.833 21.401 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.823 28.911 23.143 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.392 31.276 23.175 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.867 31.246 21.488 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.551 30.721 20.804 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.050 30.613 22.480 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.991 33.086 20.987 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.395 32.784 21.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.378 34.195 23.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.579 32.675 23.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.884 33.415 23.082 1.00 0.00 H new ATOM 1020 N GLU A 64 14.789 30.263 23.189 1.00 0.00 N ATOM 1021 CA GLU A 64 15.583 31.184 23.971 1.00 0.00 C ATOM 1022 C GLU A 64 16.500 30.529 25.009 1.00 0.00 C ATOM 1023 O GLU A 64 16.940 31.074 26.016 1.00 0.00 O ATOM 1024 CB GLU A 64 14.761 32.333 24.552 1.00 0.00 C ATOM 1025 CG GLU A 64 14.669 33.504 23.571 1.00 0.00 C ATOM 1026 CD GLU A 64 13.255 33.703 23.055 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.292 33.570 23.846 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.140 34.047 21.855 1.00 0.00 O ATOM 0 H GLU A 64 15.180 30.155 22.253 1.00 0.00 H new ATOM 0 HA GLU A 64 16.269 31.622 23.246 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.759 31.979 24.794 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.214 32.672 25.484 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.007 34.416 24.062 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.340 33.327 22.731 1.00 0.00 H new ATOM 1035 N SER A 65 16.782 29.233 24.887 1.00 0.00 N ATOM 1036 CA SER A 65 17.783 28.564 25.702 1.00 0.00 C ATOM 1037 C SER A 65 19.216 29.019 25.406 1.00 0.00 C ATOM 1038 O SER A 65 19.593 29.060 24.237 1.00 0.00 O ATOM 1039 CB SER A 65 17.600 27.060 25.468 1.00 0.00 C ATOM 1040 OG SER A 65 16.355 26.548 25.885 1.00 0.00 O ATOM 0 H SER A 65 16.319 28.619 24.217 1.00 0.00 H new ATOM 0 HA SER A 65 17.636 28.823 26.750 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.725 26.853 24.405 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.392 26.525 25.992 1.00 0.00 H new ATOM 0 HG SER A 65 15.704 26.637 25.158 1.00 0.00 H new ATOM 1046 N THR A 66 20.012 29.185 26.455 1.00 0.00 N ATOM 1047 CA THR A 66 21.404 29.560 26.605 1.00 0.00 C ATOM 1048 C THR A 66 22.118 28.224 26.778 1.00 0.00 C ATOM 1049 O THR A 66 21.882 27.442 27.697 1.00 0.00 O ATOM 1050 CB THR A 66 21.629 30.458 27.822 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.676 31.500 27.772 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.052 31.003 27.720 1.00 0.00 C ATOM 0 H THR A 66 19.615 29.029 27.381 1.00 0.00 H new ATOM 0 HA THR A 66 21.768 30.138 25.755 1.00 0.00 H new ATOM 0 HB THR A 66 21.513 29.925 28.766 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.797 32.091 28.544 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.255 31.651 28.572 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.760 30.174 27.718 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.158 31.573 26.797 1.00 0.00 H new ATOM 1060 N LEU A 67 22.905 27.918 25.747 1.00 0.00 N ATOM 1061 CA LEU A 67 23.892 26.858 25.638 1.00 0.00 C ATOM 1062 C LEU A 67 25.236 27.353 26.176 1.00 0.00 C ATOM 1063 O LEU A 67 25.393 28.572 26.206 1.00 0.00 O ATOM 1064 CB LEU A 67 24.073 26.548 24.147 1.00 0.00 C ATOM 1065 CG LEU A 67 23.002 25.672 23.482 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.083 26.140 22.032 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.192 24.160 23.615 1.00 0.00 C ATOM 0 H LEU A 67 22.858 28.463 24.886 1.00 0.00 H new ATOM 0 HA LEU A 67 23.566 25.982 26.199 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.120 27.494 23.608 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.039 26.059 24.017 1.00 0.00 H new ATOM 0 HG LEU A 67 22.030 25.795 23.960 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.360 25.589 21.431 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.861 27.206 21.981 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.087 25.960 21.647 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.377 23.645 23.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.141 23.871 23.163 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.194 23.885 24.670 1.00 0.00 H new ATOM 1079 N HIS A 68 26.172 26.472 26.518 1.00 0.00 N ATOM 1080 CA HIS A 68 27.442 26.672 27.169 1.00 0.00 C ATOM 1081 C HIS A 68 28.595 26.125 26.322 1.00 0.00 C ATOM 1082 O HIS A 68 28.557 24.923 26.064 1.00 0.00 O ATOM 1083 CB HIS A 68 27.478 25.922 28.501 1.00 0.00 C ATOM 1084 CG HIS A 68 26.377 26.210 29.473 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.054 25.802 29.312 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.398 27.013 30.579 1.00 0.00 C ATOM 1087 CE1 HIS A 68 24.335 26.430 30.245 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.114 27.196 31.046 1.00 0.00 N ATOM 0 H HIS A 68 26.029 25.483 26.315 1.00 0.00 H new ATOM 0 HA HIS A 68 27.556 27.746 27.314 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.471 24.853 28.288 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.427 26.144 28.989 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.287 27.440 31.020 1.00 0.00 H new ATOM 0 HE1 HIS A 68 23.264 26.339 30.349 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.815 27.781 31.826 1.00 0.00 H new ATOM 1096 N LEU A 69 29.534 26.977 25.903 1.00 0.00 N ATOM 1097 CA LEU A 69 30.473 26.592 24.867 1.00 0.00 C ATOM 1098 C LEU A 69 31.759 25.932 25.382 1.00 0.00 C ATOM 1099 O LEU A 69 32.438 26.596 26.156 1.00 0.00 O ATOM 1100 CB LEU A 69 30.740 27.813 23.991 1.00 0.00 C ATOM 1101 CG LEU A 69 31.463 27.381 22.710 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.451 26.645 21.816 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.053 28.626 22.057 1.00 0.00 C ATOM 0 H LEU A 69 29.657 27.923 26.264 1.00 0.00 H new ATOM 0 HA LEU A 69 30.017 25.800 24.273 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.800 28.306 23.741 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.346 28.538 24.535 1.00 0.00 H new ATOM 0 HG LEU A 69 32.287 26.694 22.903 1.00 0.00 H new ATOM 0 HD11 LEU A 69 30.942 26.327 20.896 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.067 25.772 22.343 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.625 27.314 21.574 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.574 28.345 21.142 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.252 29.326 21.818 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.755 29.099 22.743 1.00 0.00 H new ATOM 1115 N VAL A 70 31.936 24.643 25.124 1.00 0.00 N ATOM 1116 CA VAL A 70 33.108 23.900 25.566 1.00 0.00 C ATOM 1117 C VAL A 70 33.972 23.615 24.340 1.00 0.00 C ATOM 1118 O VAL A 70 33.486 23.656 23.207 1.00 0.00 O ATOM 1119 CB VAL A 70 32.666 22.684 26.381 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.786 22.076 27.234 1.00 0.00 C ATOM 1121 CG2 VAL A 70 31.579 23.085 27.377 1.00 0.00 C ATOM 0 H VAL A 70 31.266 24.080 24.599 1.00 0.00 H new ATOM 0 HA VAL A 70 33.740 24.464 26.252 1.00 0.00 H new ATOM 0 HB VAL A 70 32.328 21.959 25.641 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.399 21.218 27.784 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.602 21.754 26.587 1.00 0.00 H new ATOM 0 HG13 VAL A 70 34.154 22.823 27.938 1.00 0.00 H new ATOM 0 HG21 VAL A 70 31.272 22.211 27.952 1.00 0.00 H new ATOM 0 HG22 VAL A 70 31.968 23.846 28.053 1.00 0.00 H new ATOM 0 HG23 VAL A 70 30.720 23.484 26.837 1.00 0.00 H new ATOM 1131 N LEU A 71 35.228 23.209 24.543 1.00 0.00 N ATOM 1132 CA LEU A 71 36.218 22.960 23.514 1.00 0.00 C ATOM 1133 C LEU A 71 36.526 21.464 23.470 1.00 0.00 C ATOM 1134 O LEU A 71 36.231 20.719 24.400 1.00 0.00 O ATOM 1135 CB LEU A 71 37.495 23.779 23.766 1.00 0.00 C ATOM 1136 CG LEU A 71 38.127 24.353 22.504 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.314 25.495 21.883 1.00 0.00 C ATOM 1138 CD2 LEU A 71 39.505 24.967 22.788 1.00 0.00 C ATOM 0 H LEU A 71 35.592 23.039 25.481 1.00 0.00 H new ATOM 0 HA LEU A 71 35.820 23.274 22.549 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.260 24.598 24.446 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.226 23.146 24.270 1.00 0.00 H new ATOM 0 HG LEU A 71 38.180 23.499 21.828 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.820 25.857 20.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.321 25.132 21.616 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.221 26.309 22.602 1.00 0.00 H new ATOM 0 HD21 LEU A 71 39.923 25.366 21.864 1.00 0.00 H new ATOM 0 HD22 LEU A 71 39.402 25.772 23.516 1.00 0.00 H new ATOM 0 HD23 LEU A 71 40.170 24.200 23.186 1.00 0.00 H new ATOM 1150 N ARG A 72 37.127 20.991 22.382 1.00 0.00 N ATOM 1151 CA ARG A 72 37.539 19.619 22.133 1.00 0.00 C ATOM 1152 C ARG A 72 38.922 19.422 22.744 1.00 0.00 C ATOM 1153 O ARG A 72 39.903 20.009 22.285 1.00 0.00 O ATOM 1154 CB ARG A 72 37.492 19.451 20.614 1.00 0.00 C ATOM 1155 CG ARG A 72 37.841 18.082 20.011 1.00 0.00 C ATOM 1156 CD ARG A 72 37.562 17.939 18.520 1.00 0.00 C ATOM 1157 NE ARG A 72 38.510 18.571 17.601 1.00 0.00 N ATOM 1158 CZ ARG A 72 38.334 18.910 16.311 1.00 0.00 C ATOM 1159 NH1 ARG A 72 37.198 18.706 15.632 1.00 0.00 N ATOM 1160 NH2 ARG A 72 39.368 19.485 15.684 1.00 0.00 N ATOM 0 H ARG A 72 37.354 21.602 21.598 1.00 0.00 H new ATOM 0 HA ARG A 72 36.901 18.861 22.587 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.486 19.711 20.284 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.170 20.186 20.179 1.00 0.00 H new ATOM 0 HG2 ARG A 72 38.898 17.884 20.187 1.00 0.00 H new ATOM 0 HG3 ARG A 72 37.280 17.314 20.544 1.00 0.00 H new ATOM 0 HD2 ARG A 72 37.520 16.876 18.284 1.00 0.00 H new ATOM 0 HD3 ARG A 72 36.572 18.349 18.320 1.00 0.00 H new ATOM 0 HE ARG A 72 39.428 18.783 17.991 1.00 0.00 H new ATOM 0 HH11 ARG A 72 36.400 18.269 16.093 1.00 0.00 H new ATOM 0 HH12 ARG A 72 37.131 18.987 14.654 1.00 0.00 H new ATOM 0 HH21 ARG A 72 40.241 19.648 16.185 1.00 0.00 H new ATOM 0 HH22 ARG A 72 39.282 19.760 14.705 1.00 0.00 H new ATOM 1174 N LEU A 73 38.996 18.418 23.618 1.00 0.00 N ATOM 1175 CA LEU A 73 40.166 17.859 24.264 1.00 0.00 C ATOM 1176 C LEU A 73 40.608 16.660 23.427 1.00 0.00 C ATOM 1177 O LEU A 73 39.860 16.246 22.547 1.00 0.00 O ATOM 1178 CB LEU A 73 39.857 17.399 25.677 1.00 0.00 C ATOM 1179 CG LEU A 73 39.949 18.383 26.849 1.00 0.00 C ATOM 1180 CD1 LEU A 73 41.400 18.461 27.341 1.00 0.00 C ATOM 1181 CD2 LEU A 73 39.348 19.762 26.555 1.00 0.00 C ATOM 0 H LEU A 73 38.149 17.933 23.915 1.00 0.00 H new ATOM 0 HA LEU A 73 40.946 18.617 24.332 1.00 0.00 H new ATOM 0 HB2 LEU A 73 38.843 16.998 25.671 1.00 0.00 H new ATOM 0 HB3 LEU A 73 40.527 16.569 25.900 1.00 0.00 H new ATOM 0 HG LEU A 73 39.325 17.993 27.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.465 19.161 28.174 1.00 0.00 H new ATOM 0 HD12 LEU A 73 41.726 17.474 27.670 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.042 18.803 26.529 1.00 0.00 H new ATOM 0 HD21 LEU A 73 39.452 20.399 27.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 39.872 20.215 25.713 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.292 19.654 26.309 1.00 0.00 H new ATOM 1193 N ARG A 74 41.844 16.207 23.631 1.00 0.00 N ATOM 1194 CA ARG A 74 42.623 15.155 23.002 1.00 0.00 C ATOM 1195 C ARG A 74 43.555 14.517 24.022 1.00 0.00 C ATOM 1196 O ARG A 74 44.048 15.231 24.899 1.00 0.00 O ATOM 1197 CB ARG A 74 43.093 15.671 21.644 1.00 0.00 C ATOM 1198 CG ARG A 74 44.532 16.192 21.567 1.00 0.00 C ATOM 1199 CD ARG A 74 44.893 16.957 20.299 1.00 0.00 C ATOM 1200 NE ARG A 74 44.352 18.306 20.242 1.00 0.00 N ATOM 1201 CZ ARG A 74 44.668 19.267 19.357 1.00 0.00 C ATOM 1202 NH1 ARG A 74 45.595 19.071 18.404 1.00 0.00 N ATOM 1203 NH2 ARG A 74 44.014 20.439 19.319 1.00 0.00 N ATOM 0 H ARG A 74 42.404 16.647 24.361 1.00 0.00 H new ATOM 0 HA ARG A 74 42.086 14.255 22.703 1.00 0.00 H new ATOM 0 HB2 ARG A 74 42.983 14.866 20.917 1.00 0.00 H new ATOM 0 HB3 ARG A 74 42.423 16.473 21.334 1.00 0.00 H new ATOM 0 HG2 ARG A 74 44.710 16.842 22.424 1.00 0.00 H new ATOM 0 HG3 ARG A 74 45.211 15.345 21.663 1.00 0.00 H new ATOM 0 HD2 ARG A 74 45.979 17.009 20.216 1.00 0.00 H new ATOM 0 HD3 ARG A 74 44.534 16.397 19.436 1.00 0.00 H new ATOM 0 HE ARG A 74 43.658 18.549 20.949 1.00 0.00 H new ATOM 0 HH11 ARG A 74 46.078 18.175 18.339 1.00 0.00 H new ATOM 0 HH12 ARG A 74 45.815 19.818 17.745 1.00 0.00 H new ATOM 0 HH21 ARG A 74 43.253 20.620 19.974 1.00 0.00 H new ATOM 0 HH22 ARG A 74 44.278 21.148 18.635 1.00 0.00 H new ATOM 1217 N GLY A 75 43.903 13.248 23.810 1.00 0.00 N ATOM 1218 CA GLY A 75 45.106 12.589 24.279 1.00 0.00 C ATOM 1219 C GLY A 75 45.781 12.104 23.000 1.00 0.00 C ATOM 1220 O GLY A 75 46.347 12.967 22.337 1.00 0.00 O ATOM 0 H GLY A 75 43.309 12.619 23.270 1.00 0.00 H new ATOM 0 HA2 GLY A 75 45.747 13.275 24.834 1.00 0.00 H new ATOM 0 HA3 GLY A 75 44.873 11.760 24.947 1.00 0.00 H new ATOM 1224 N GLY A 76 45.940 10.803 22.781 1.00 0.00 N ATOM 1225 CA GLY A 76 46.606 10.138 21.678 1.00 0.00 C ATOM 1226 C GLY A 76 45.713 9.033 21.138 1.00 0.00 C ATOM 1227 O GLY A 76 44.576 8.940 21.671 1.00 0.00 O ATOM 1228 OXT GLY A 76 45.891 8.389 20.087 1.00 0.00 O ATOM 0 H GLY A 76 45.565 10.123 23.443 1.00 0.00 H new ATOM 0 HA2 GLY A 76 46.831 10.856 20.889 1.00 0.00 H new ATOM 0 HA3 GLY A 76 47.557 9.722 22.011 1.00 0.00 H new TER 1232 GLY A 76