USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 54:sc= 1.01 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0873 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0206 (180deg=-0.0206) USER MOD Single : A 1 MET N :NH3+ -149:sc= 2.22 (180deg=1.34) USER MOD Single : A 2 GLN : amide:sc= 1.09 K(o=1.1,f=-0.46) 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 -84:sc= 0.309 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00958 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0.318 (180deg=0.307) USER MOD Single : A 29 LYS NZ :NH3+ -110:sc= 1.03 (180deg=0.55) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.0713 (180deg=-0.313) USER MOD Single : A 40 GLN : amide:sc= -0.821 X(o=-0.82,f=-0.4) USER MOD Single : A 41 GLN : amide:sc= 0.238 K(o=0.24,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0.9 (180deg=0.82) USER MOD Single : A 49 GLN : amide:sc= -1.8! X(o=-1.8!,f=-1.5) USER MOD Single : A 55 THR OG1 : rot -34:sc= 0.907 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -158:sc= 1.18 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.705 K(o=0.71,f=-0.0034) USER MOD Single : A 63 LYS NZ :NH3+ -108:sc= 0.791 (180deg=-0.587!) USER MOD Single : A 65 SER OG : rot -132:sc= 0.202 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.971 31.083 16.483 1.00 0.00 N ATOM 2 CA MET A 1 13.971 30.657 17.891 1.00 0.00 C ATOM 3 C MET A 1 15.366 30.961 18.439 1.00 0.00 C ATOM 4 O MET A 1 16.355 30.681 17.783 1.00 0.00 O ATOM 5 CB MET A 1 13.728 29.150 17.944 1.00 0.00 C ATOM 6 CG MET A 1 13.494 28.611 19.350 1.00 0.00 C ATOM 7 SD MET A 1 13.802 26.822 19.379 1.00 0.00 S ATOM 8 CE MET A 1 15.563 26.957 19.760 1.00 0.00 C ATOM 0 H1 MET A 1 13.016 31.397 16.215 1.00 0.00 H new ATOM 0 H2 MET A 1 14.641 31.868 16.358 1.00 0.00 H new ATOM 0 H3 MET A 1 14.255 30.286 15.879 1.00 0.00 H new ATOM 0 HA MET A 1 13.200 31.167 18.469 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.864 28.909 17.325 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.586 28.638 17.507 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.153 29.115 20.057 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.471 28.819 19.664 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.997 25.960 19.833 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.065 27.515 18.969 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.691 27.478 20.709 1.00 0.00 H new ATOM 20 N GLN A 2 15.436 31.553 19.633 1.00 0.00 N ATOM 21 CA GLN A 2 16.670 32.002 20.249 1.00 0.00 C ATOM 22 C GLN A 2 17.273 30.835 21.027 1.00 0.00 C ATOM 23 O GLN A 2 16.545 30.185 21.765 1.00 0.00 O ATOM 24 CB GLN A 2 16.480 33.184 21.206 1.00 0.00 C ATOM 25 CG GLN A 2 16.259 34.546 20.548 1.00 0.00 C ATOM 26 CD GLN A 2 15.972 35.747 21.425 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.247 36.890 21.041 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.473 35.682 22.657 1.00 0.00 N ATOM 0 H GLN A 2 14.612 31.734 20.206 1.00 0.00 H new ATOM 0 HA GLN A 2 17.325 32.344 19.448 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.628 32.971 21.851 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.358 33.251 21.849 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.146 34.774 19.958 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.429 34.443 19.849 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.217 34.779 23.057 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.346 36.535 23.202 1.00 0.00 H new ATOM 37 N ILE A 3 18.563 30.549 20.868 1.00 0.00 N ATOM 38 CA ILE A 3 19.367 29.878 21.873 1.00 0.00 C ATOM 39 C ILE A 3 20.327 30.969 22.357 1.00 0.00 C ATOM 40 O ILE A 3 20.843 31.661 21.471 1.00 0.00 O ATOM 41 CB ILE A 3 19.906 28.541 21.382 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.903 28.793 20.255 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.768 27.569 21.038 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.525 27.477 19.769 1.00 0.00 C ATOM 0 H ILE A 3 19.083 30.783 20.022 1.00 0.00 H new ATOM 0 HA ILE A 3 18.833 29.507 22.748 1.00 0.00 H new ATOM 0 HB ILE A 3 20.453 28.033 22.176 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.402 29.291 19.425 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.688 29.465 20.602 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.188 26.625 20.691 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.161 27.391 21.925 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.146 28.000 20.253 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.232 27.684 18.966 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.046 26.994 20.596 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.739 26.818 19.400 1.00 0.00 H new ATOM 56 N PHE A 4 20.668 31.052 23.638 1.00 0.00 N ATOM 57 CA PHE A 4 21.835 31.760 24.106 1.00 0.00 C ATOM 58 C PHE A 4 22.962 30.722 24.054 1.00 0.00 C ATOM 59 O PHE A 4 22.877 29.655 24.660 1.00 0.00 O ATOM 60 CB PHE A 4 21.526 32.114 25.560 1.00 0.00 C ATOM 61 CG PHE A 4 20.446 33.161 25.688 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.277 34.187 24.747 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.552 33.072 26.759 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.213 35.091 24.877 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.522 34.001 26.916 1.00 0.00 C ATOM 66 CZ PHE A 4 18.371 35.030 25.986 1.00 0.00 C ATOM 0 H PHE A 4 20.127 30.619 24.386 1.00 0.00 H new ATOM 0 HA PHE A 4 22.098 32.653 23.540 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.218 31.213 26.091 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.434 32.474 26.043 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.967 34.281 23.921 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.660 32.272 27.476 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.045 35.837 24.115 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.845 33.924 27.754 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.604 35.777 26.125 1.00 0.00 H new ATOM 76 N VAL A 5 24.023 31.213 23.411 1.00 0.00 N ATOM 77 CA VAL A 5 25.301 30.559 23.618 1.00 0.00 C ATOM 78 C VAL A 5 26.197 31.309 24.597 1.00 0.00 C ATOM 79 O VAL A 5 26.568 32.448 24.318 1.00 0.00 O ATOM 80 CB VAL A 5 26.076 30.470 22.302 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.248 29.497 22.376 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.140 30.016 21.182 1.00 0.00 C ATOM 0 H VAL A 5 24.023 32.014 22.780 1.00 0.00 H new ATOM 0 HA VAL A 5 25.064 29.574 24.020 1.00 0.00 H new ATOM 0 HB VAL A 5 26.474 31.465 22.102 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.762 29.473 21.415 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.942 29.822 23.151 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.878 28.500 22.614 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.696 29.954 20.246 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.729 29.036 21.426 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.327 30.734 21.074 1.00 0.00 H new ATOM 92 N LYS A 6 26.523 30.729 25.746 1.00 0.00 N ATOM 93 CA LYS A 6 27.461 31.204 26.745 1.00 0.00 C ATOM 94 C LYS A 6 28.897 31.187 26.216 1.00 0.00 C ATOM 95 O LYS A 6 29.390 30.082 26.017 1.00 0.00 O ATOM 96 CB LYS A 6 27.367 30.472 28.084 1.00 0.00 C ATOM 97 CG LYS A 6 28.221 30.937 29.257 1.00 0.00 C ATOM 98 CD LYS A 6 27.382 30.890 30.532 1.00 0.00 C ATOM 99 CE LYS A 6 28.151 31.146 31.820 1.00 0.00 C ATOM 100 NZ LYS A 6 27.345 32.052 32.654 1.00 0.00 N ATOM 0 H LYS A 6 26.101 29.842 26.021 1.00 0.00 H new ATOM 0 HA LYS A 6 27.171 32.235 26.945 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.326 30.509 28.404 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.607 29.425 27.901 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.099 30.299 29.360 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.582 31.950 29.081 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.584 31.628 30.451 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.906 29.912 30.599 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.339 30.209 32.345 1.00 0.00 H new ATOM 0 HE3 LYS A 6 29.123 31.590 31.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.848 32.245 33.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.188 32.945 32.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.429 31.607 32.864 1.00 0.00 H new ATOM 114 N THR A 7 29.554 32.336 26.133 1.00 0.00 N ATOM 115 CA THR A 7 30.962 32.502 25.837 1.00 0.00 C ATOM 116 C THR A 7 31.994 32.445 26.967 1.00 0.00 C ATOM 117 O THR A 7 31.642 32.573 28.150 1.00 0.00 O ATOM 118 CB THR A 7 31.102 33.752 24.980 1.00 0.00 C ATOM 119 OG1 THR A 7 30.280 34.851 25.323 1.00 0.00 O ATOM 120 CG2 THR A 7 30.616 33.455 23.566 1.00 0.00 C ATOM 0 H THR A 7 29.085 33.230 26.280 1.00 0.00 H new ATOM 0 HA THR A 7 31.244 31.586 25.318 1.00 0.00 H new ATOM 0 HB THR A 7 32.154 34.006 25.109 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.408 35.073 26.269 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.716 34.350 22.951 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.214 32.651 23.137 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.570 33.151 23.597 1.00 0.00 H new ATOM 128 N LEU A 8 33.276 32.276 26.670 1.00 0.00 N ATOM 129 CA LEU A 8 34.419 32.205 27.560 1.00 0.00 C ATOM 130 C LEU A 8 34.971 33.585 27.927 1.00 0.00 C ATOM 131 O LEU A 8 35.699 33.715 28.908 1.00 0.00 O ATOM 132 CB LEU A 8 35.515 31.251 27.087 1.00 0.00 C ATOM 133 CG LEU A 8 35.144 29.829 26.686 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.599 29.811 25.263 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.368 28.939 26.906 1.00 0.00 C ATOM 0 H LEU A 8 33.567 32.175 25.697 1.00 0.00 H new ATOM 0 HA LEU A 8 34.029 31.767 28.479 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.006 31.715 26.232 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.257 31.184 27.883 1.00 0.00 H new ATOM 0 HG LEU A 8 34.339 29.431 27.304 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.337 28.790 24.987 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.712 30.442 25.205 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.358 30.189 24.578 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.127 27.914 26.626 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.194 29.299 26.293 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.656 28.970 27.957 1.00 0.00 H new ATOM 147 N THR A 9 34.619 34.600 27.140 1.00 0.00 N ATOM 148 CA THR A 9 34.872 36.006 27.331 1.00 0.00 C ATOM 149 C THR A 9 34.169 36.545 28.575 1.00 0.00 C ATOM 150 O THR A 9 34.729 37.432 29.211 1.00 0.00 O ATOM 151 CB THR A 9 34.495 36.733 26.036 1.00 0.00 C ATOM 152 OG1 THR A 9 33.465 36.102 25.323 1.00 0.00 O ATOM 153 CG2 THR A 9 35.663 36.819 25.037 1.00 0.00 C ATOM 0 H THR A 9 34.103 34.431 26.277 1.00 0.00 H new ATOM 0 HA THR A 9 35.929 36.184 27.527 1.00 0.00 H new ATOM 0 HB THR A 9 34.188 37.717 26.390 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.269 36.613 24.510 1.00 0.00 H new ATOM 0 HG21 THR A 9 35.336 37.344 24.139 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.492 37.360 25.492 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.989 35.813 24.771 1.00 0.00 H new ATOM 161 N GLY A 10 32.960 36.065 28.862 1.00 0.00 N ATOM 162 CA GLY A 10 31.899 36.542 29.731 1.00 0.00 C ATOM 163 C GLY A 10 30.566 36.402 28.987 1.00 0.00 C ATOM 164 O GLY A 10 30.531 35.632 28.033 1.00 0.00 O ATOM 0 H GLY A 10 32.665 35.197 28.416 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.879 35.967 30.657 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.073 37.582 30.006 1.00 0.00 H new ATOM 168 N LYS A 11 29.549 37.142 29.421 1.00 0.00 N ATOM 169 CA LYS A 11 28.306 37.347 28.703 1.00 0.00 C ATOM 170 C LYS A 11 27.577 36.236 27.950 1.00 0.00 C ATOM 171 O LYS A 11 27.846 35.071 28.255 1.00 0.00 O ATOM 172 CB LYS A 11 28.470 38.586 27.819 1.00 0.00 C ATOM 173 CG LYS A 11 28.758 39.868 28.608 1.00 0.00 C ATOM 174 CD LYS A 11 28.574 41.175 27.843 1.00 0.00 C ATOM 175 CE LYS A 11 27.536 42.014 28.589 1.00 0.00 C ATOM 176 NZ LYS A 11 27.502 43.403 28.119 1.00 0.00 N ATOM 0 H LYS A 11 29.575 37.631 30.316 1.00 0.00 H new ATOM 0 HA LYS A 11 27.604 37.433 29.532 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.282 38.414 27.113 1.00 0.00 H new ATOM 0 HB3 LYS A 11 27.562 38.726 27.232 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.109 39.887 29.483 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.784 39.824 28.973 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.520 41.712 27.773 1.00 0.00 H new ATOM 0 HD3 LYS A 11 28.243 40.977 26.823 1.00 0.00 H new ATOM 0 HE2 LYS A 11 26.551 41.566 28.463 1.00 0.00 H new ATOM 0 HE3 LYS A 11 27.759 41.999 29.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 26.784 43.933 28.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 28.434 43.841 28.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 27.264 43.421 27.107 1.00 0.00 H new ATOM 190 N THR A 12 26.624 36.383 27.031 1.00 0.00 N ATOM 191 CA THR A 12 26.118 35.427 26.074 1.00 0.00 C ATOM 192 C THR A 12 26.128 36.033 24.670 1.00 0.00 C ATOM 193 O THR A 12 26.142 37.259 24.564 1.00 0.00 O ATOM 194 CB THR A 12 24.692 35.041 26.465 1.00 0.00 C ATOM 195 OG1 THR A 12 23.857 36.169 26.613 1.00 0.00 O ATOM 196 CG2 THR A 12 24.478 34.196 27.728 1.00 0.00 C ATOM 0 H THR A 12 26.141 37.277 26.937 1.00 0.00 H new ATOM 0 HA THR A 12 26.752 34.540 26.074 1.00 0.00 H new ATOM 0 HB THR A 12 24.437 34.407 25.616 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.955 35.878 26.861 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.413 34.009 27.865 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.002 33.246 27.623 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.867 34.732 28.594 1.00 0.00 H new ATOM 204 N ILE A 13 26.136 35.170 23.652 1.00 0.00 N ATOM 205 CA ILE A 13 25.773 35.472 22.289 1.00 0.00 C ATOM 206 C ILE A 13 24.302 35.055 22.173 1.00 0.00 C ATOM 207 O ILE A 13 23.933 33.979 22.642 1.00 0.00 O ATOM 208 CB ILE A 13 26.757 34.778 21.351 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.203 35.209 21.591 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.402 34.996 19.876 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.561 36.638 21.189 1.00 0.00 C ATOM 0 H ILE A 13 26.412 34.196 23.775 1.00 0.00 H new ATOM 0 HA ILE A 13 25.844 36.522 22.003 1.00 0.00 H new ATOM 0 HB ILE A 13 26.672 33.716 21.581 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.424 35.087 22.651 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.857 34.527 21.048 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.130 34.484 19.247 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.407 34.597 19.678 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.416 36.063 19.652 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.612 36.825 21.408 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.383 36.771 20.122 1.00 0.00 H new ATOM 0 HD13 ILE A 13 27.943 37.339 21.750 1.00 0.00 H new ATOM 223 N THR A 14 23.430 35.901 21.642 1.00 0.00 N ATOM 224 CA THR A 14 22.121 35.515 21.158 1.00 0.00 C ATOM 225 C THR A 14 22.207 35.245 19.659 1.00 0.00 C ATOM 226 O THR A 14 22.794 36.001 18.881 1.00 0.00 O ATOM 227 CB THR A 14 21.122 36.617 21.520 1.00 0.00 C ATOM 228 OG1 THR A 14 21.285 36.998 22.869 1.00 0.00 O ATOM 229 CG2 THR A 14 19.672 36.217 21.271 1.00 0.00 C ATOM 0 H THR A 14 23.622 36.897 21.535 1.00 0.00 H new ATOM 0 HA THR A 14 21.771 34.595 21.626 1.00 0.00 H new ATOM 0 HB THR A 14 21.338 37.459 20.863 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.782 36.385 23.445 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.015 37.041 21.548 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.535 35.982 20.215 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.428 35.341 21.872 1.00 0.00 H new ATOM 237 N LEU A 15 21.848 33.998 19.357 1.00 0.00 N ATOM 238 CA LEU A 15 21.804 33.300 18.086 1.00 0.00 C ATOM 239 C LEU A 15 20.339 33.318 17.632 1.00 0.00 C ATOM 240 O LEU A 15 19.542 32.956 18.485 1.00 0.00 O ATOM 241 CB LEU A 15 22.381 31.894 18.190 1.00 0.00 C ATOM 242 CG LEU A 15 23.295 31.479 17.035 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.727 32.020 17.105 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.352 29.956 16.965 1.00 0.00 C ATOM 0 H LEU A 15 21.541 33.376 20.105 1.00 0.00 H new ATOM 0 HA LEU A 15 22.430 33.793 17.342 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.941 31.816 19.122 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.557 31.184 18.253 1.00 0.00 H new ATOM 0 HG LEU A 15 22.852 31.921 16.143 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.291 31.668 16.241 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.705 33.110 17.105 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.205 31.667 18.019 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.002 29.654 16.144 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.745 29.563 17.903 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.350 29.562 16.799 1.00 0.00 H new ATOM 256 N GLU A 16 20.009 33.428 16.343 1.00 0.00 N ATOM 257 CA GLU A 16 18.779 32.910 15.772 1.00 0.00 C ATOM 258 C GLU A 16 19.041 31.498 15.235 1.00 0.00 C ATOM 259 O GLU A 16 20.015 31.331 14.505 1.00 0.00 O ATOM 260 CB GLU A 16 18.204 33.776 14.654 1.00 0.00 C ATOM 261 CG GLU A 16 17.093 34.667 15.221 1.00 0.00 C ATOM 262 CD GLU A 16 15.785 34.007 15.619 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.590 32.860 15.164 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.935 34.651 16.255 1.00 0.00 O ATOM 0 H GLU A 16 20.607 33.891 15.659 1.00 0.00 H new ATOM 0 HA GLU A 16 18.036 32.906 16.570 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.990 34.391 14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.809 33.146 13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.490 35.178 16.098 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.868 35.434 14.479 1.00 0.00 H new ATOM 271 N VAL A 17 18.066 30.605 15.417 1.00 0.00 N ATOM 272 CA VAL A 17 18.056 29.273 14.853 1.00 0.00 C ATOM 273 C VAL A 17 16.597 28.814 14.693 1.00 0.00 C ATOM 274 O VAL A 17 15.673 29.349 15.306 1.00 0.00 O ATOM 275 CB VAL A 17 18.845 28.287 15.713 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.094 27.721 15.044 1.00 0.00 C ATOM 277 CG2 VAL A 17 19.121 28.692 17.155 1.00 0.00 C ATOM 0 H VAL A 17 17.240 30.805 15.981 1.00 0.00 H new ATOM 0 HA VAL A 17 18.544 29.299 13.879 1.00 0.00 H new ATOM 0 HB VAL A 17 18.120 27.477 15.795 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.591 27.031 15.726 1.00 0.00 H new ATOM 0 HG12 VAL A 17 19.811 27.191 14.134 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.773 28.536 14.793 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.688 27.905 17.652 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.697 29.617 17.169 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.176 28.844 17.677 1.00 0.00 H new ATOM 287 N GLU A 18 16.293 27.916 13.772 1.00 0.00 N ATOM 288 CA GLU A 18 15.060 27.151 13.728 1.00 0.00 C ATOM 289 C GLU A 18 15.374 25.881 14.540 1.00 0.00 C ATOM 290 O GLU A 18 16.503 25.417 14.569 1.00 0.00 O ATOM 291 CB GLU A 18 14.716 26.823 12.282 1.00 0.00 C ATOM 292 CG GLU A 18 14.440 28.092 11.469 1.00 0.00 C ATOM 293 CD GLU A 18 13.257 28.889 11.988 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.097 28.424 11.956 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.493 30.102 12.178 1.00 0.00 O ATOM 0 H GLU A 18 16.925 27.691 13.003 1.00 0.00 H new ATOM 0 HA GLU A 18 14.201 27.684 14.135 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.538 26.270 11.828 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.841 26.174 12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.328 28.723 11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.257 27.818 10.430 1.00 0.00 H new ATOM 302 N PRO A 19 14.412 25.157 15.107 1.00 0.00 N ATOM 303 CA PRO A 19 14.735 24.004 15.925 1.00 0.00 C ATOM 304 C PRO A 19 15.060 22.765 15.083 1.00 0.00 C ATOM 305 O PRO A 19 15.540 21.780 15.643 1.00 0.00 O ATOM 306 CB PRO A 19 13.555 23.798 16.872 1.00 0.00 C ATOM 307 CG PRO A 19 12.393 24.363 16.064 1.00 0.00 C ATOM 308 CD PRO A 19 13.042 25.543 15.354 1.00 0.00 C ATOM 0 HA PRO A 19 15.646 24.176 16.498 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.408 22.746 17.116 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.692 24.328 17.815 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.993 23.633 15.360 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.567 24.676 16.702 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.526 25.768 14.421 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.995 26.442 15.969 1.00 0.00 H new ATOM 316 N SER A 20 14.934 22.830 13.757 1.00 0.00 N ATOM 317 CA SER A 20 15.234 21.954 12.644 1.00 0.00 C ATOM 318 C SER A 20 16.549 22.202 11.907 1.00 0.00 C ATOM 319 O SER A 20 16.867 21.421 11.010 1.00 0.00 O ATOM 320 CB SER A 20 14.029 22.048 11.711 1.00 0.00 C ATOM 321 OG SER A 20 13.590 23.322 11.302 1.00 0.00 O ATOM 0 H SER A 20 14.532 23.687 13.377 1.00 0.00 H new ATOM 0 HA SER A 20 15.398 20.951 13.037 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.260 21.474 10.814 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.192 21.551 12.201 1.00 0.00 H new ATOM 0 HG SER A 20 12.816 23.226 10.709 1.00 0.00 H new ATOM 327 N ASP A 21 17.354 23.104 12.468 1.00 0.00 N ATOM 328 CA ASP A 21 18.752 23.302 12.154 1.00 0.00 C ATOM 329 C ASP A 21 19.512 22.246 12.950 1.00 0.00 C ATOM 330 O ASP A 21 19.004 21.773 13.973 1.00 0.00 O ATOM 331 CB ASP A 21 19.202 24.716 12.539 1.00 0.00 C ATOM 332 CG ASP A 21 18.700 25.820 11.611 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.546 25.511 10.411 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.503 26.971 12.060 1.00 0.00 O ATOM 0 H ASP A 21 17.023 23.745 13.189 1.00 0.00 H new ATOM 0 HA ASP A 21 18.941 23.201 11.085 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.860 24.928 13.552 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.291 24.743 12.558 1.00 0.00 H new ATOM 339 N THR A 22 20.725 21.899 12.542 1.00 0.00 N ATOM 340 CA THR A 22 21.762 21.073 13.146 1.00 0.00 C ATOM 341 C THR A 22 22.685 21.948 13.987 1.00 0.00 C ATOM 342 O THR A 22 22.759 23.155 13.770 1.00 0.00 O ATOM 343 CB THR A 22 22.576 20.439 12.020 1.00 0.00 C ATOM 344 OG1 THR A 22 23.254 21.415 11.256 1.00 0.00 O ATOM 345 CG2 THR A 22 21.806 19.317 11.330 1.00 0.00 C ATOM 0 H THR A 22 21.052 22.245 11.640 1.00 0.00 H new ATOM 0 HA THR A 22 21.312 20.308 13.779 1.00 0.00 H new ATOM 0 HB THR A 22 23.424 19.875 12.409 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.767 20.976 10.545 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.418 18.891 10.535 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.564 18.541 12.057 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.885 19.716 10.905 1.00 0.00 H new ATOM 353 N ILE A 23 23.471 21.380 14.908 1.00 0.00 N ATOM 354 CA ILE A 23 24.471 22.025 15.736 1.00 0.00 C ATOM 355 C ILE A 23 25.659 22.470 14.878 1.00 0.00 C ATOM 356 O ILE A 23 26.345 23.446 15.182 1.00 0.00 O ATOM 357 CB ILE A 23 24.866 21.170 16.948 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.702 20.995 17.921 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.952 21.934 17.707 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.765 19.743 18.800 1.00 0.00 C ATOM 0 H ILE A 23 23.412 20.380 15.101 1.00 0.00 H new ATOM 0 HA ILE A 23 24.036 22.926 16.169 1.00 0.00 H new ATOM 0 HB ILE A 23 25.187 20.192 16.591 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.656 21.871 18.568 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.774 20.972 17.350 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.261 21.357 18.579 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.810 22.092 17.054 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.560 22.898 18.030 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.893 19.713 19.454 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.775 18.855 18.168 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.671 19.768 19.405 1.00 0.00 H new ATOM 372 N GLU A 24 25.822 21.884 13.700 1.00 0.00 N ATOM 373 CA GLU A 24 26.691 22.411 12.668 1.00 0.00 C ATOM 374 C GLU A 24 26.202 23.727 12.053 1.00 0.00 C ATOM 375 O GLU A 24 27.063 24.509 11.671 1.00 0.00 O ATOM 376 CB GLU A 24 26.793 21.240 11.696 1.00 0.00 C ATOM 377 CG GLU A 24 28.088 21.105 10.902 1.00 0.00 C ATOM 378 CD GLU A 24 29.357 21.085 11.746 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.452 20.457 12.819 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.377 21.558 11.201 1.00 0.00 O ATOM 0 H GLU A 24 25.348 21.021 13.435 1.00 0.00 H new ATOM 0 HA GLU A 24 27.666 22.723 13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.645 20.319 12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.968 21.316 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.044 20.187 10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.152 21.932 10.195 1.00 0.00 H new ATOM 387 N ASN A 25 24.908 24.039 12.048 1.00 0.00 N ATOM 388 CA ASN A 25 24.384 25.370 11.790 1.00 0.00 C ATOM 389 C ASN A 25 24.658 26.312 12.959 1.00 0.00 C ATOM 390 O ASN A 25 24.863 27.492 12.680 1.00 0.00 O ATOM 391 CB ASN A 25 22.898 25.320 11.457 1.00 0.00 C ATOM 392 CG ASN A 25 22.516 26.140 10.225 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.594 25.626 9.113 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.151 27.410 10.389 1.00 0.00 N ATOM 0 H ASN A 25 24.178 23.350 12.229 1.00 0.00 H new ATOM 0 HA ASN A 25 24.906 25.768 10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.605 24.282 11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.330 25.682 12.314 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.927 27.985 9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.096 27.808 11.327 1.00 0.00 H new ATOM 401 N VAL A 26 24.649 25.907 14.230 1.00 0.00 N ATOM 402 CA VAL A 26 25.016 26.722 15.374 1.00 0.00 C ATOM 403 C VAL A 26 26.489 27.105 15.262 1.00 0.00 C ATOM 404 O VAL A 26 26.882 28.262 15.278 1.00 0.00 O ATOM 405 CB VAL A 26 24.724 26.072 16.723 1.00 0.00 C ATOM 406 CG1 VAL A 26 25.229 26.697 18.027 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.229 25.782 16.872 1.00 0.00 C ATOM 0 H VAL A 26 24.373 24.961 14.494 1.00 0.00 H new ATOM 0 HA VAL A 26 24.387 27.612 15.346 1.00 0.00 H new ATOM 0 HB VAL A 26 25.351 25.185 16.634 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.915 26.082 18.871 1.00 0.00 H new ATOM 0 HG12 VAL A 26 26.317 26.755 18.005 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.814 27.699 18.135 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.043 25.319 17.841 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.669 26.714 16.802 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.909 25.106 16.079 1.00 0.00 H new ATOM 417 N LYS A 27 27.380 26.127 15.113 1.00 0.00 N ATOM 418 CA LYS A 27 28.813 26.279 14.944 1.00 0.00 C ATOM 419 C LYS A 27 29.249 27.303 13.895 1.00 0.00 C ATOM 420 O LYS A 27 30.027 28.211 14.186 1.00 0.00 O ATOM 421 CB LYS A 27 29.461 24.905 14.715 1.00 0.00 C ATOM 422 CG LYS A 27 29.443 23.974 15.921 1.00 0.00 C ATOM 423 CD LYS A 27 30.053 22.601 15.634 1.00 0.00 C ATOM 424 CE LYS A 27 30.253 21.883 16.972 1.00 0.00 C ATOM 425 NZ LYS A 27 31.196 20.759 16.838 1.00 0.00 N ATOM 0 H LYS A 27 27.096 25.147 15.108 1.00 0.00 H new ATOM 0 HA LYS A 27 29.178 26.707 15.878 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.950 24.413 13.888 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.496 25.055 14.407 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.988 24.442 16.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.414 23.844 16.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.397 22.021 14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.004 22.708 15.113 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.627 22.588 17.714 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.294 21.515 17.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.260 20.250 17.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.859 20.110 16.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.135 21.123 16.578 1.00 0.00 H new ATOM 439 N ALA A 28 28.662 27.149 12.714 1.00 0.00 N ATOM 440 CA ALA A 28 29.055 28.012 11.622 1.00 0.00 C ATOM 441 C ALA A 28 28.437 29.408 11.699 1.00 0.00 C ATOM 442 O ALA A 28 29.063 30.312 11.160 1.00 0.00 O ATOM 443 CB ALA A 28 28.472 27.336 10.380 1.00 0.00 C ATOM 0 H ALA A 28 27.941 26.461 12.498 1.00 0.00 H new ATOM 0 HA ALA A 28 30.137 28.140 11.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.721 27.923 9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.891 26.335 10.280 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.388 27.268 10.477 1.00 0.00 H new ATOM 449 N LYS A 29 27.459 29.700 12.551 1.00 0.00 N ATOM 450 CA LYS A 29 26.977 31.022 12.910 1.00 0.00 C ATOM 451 C LYS A 29 27.867 31.672 13.976 1.00 0.00 C ATOM 452 O LYS A 29 28.085 32.876 13.940 1.00 0.00 O ATOM 453 CB LYS A 29 25.507 30.876 13.294 1.00 0.00 C ATOM 454 CG LYS A 29 24.412 31.141 12.264 1.00 0.00 C ATOM 455 CD LYS A 29 22.946 31.198 12.693 1.00 0.00 C ATOM 456 CE LYS A 29 22.009 31.885 11.703 1.00 0.00 C ATOM 457 NZ LYS A 29 20.596 31.706 12.062 1.00 0.00 N ATOM 0 H LYS A 29 26.949 28.965 13.041 1.00 0.00 H new ATOM 0 HA LYS A 29 27.038 31.718 12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.368 29.858 13.658 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.326 31.543 14.137 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.645 32.091 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.495 30.368 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.592 30.180 12.859 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.883 31.717 13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.241 32.949 11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.182 31.485 10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.140 31.073 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.529 31.289 13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.116 32.629 12.054 1.00 0.00 H new ATOM 471 N ILE A 30 28.390 30.858 14.890 1.00 0.00 N ATOM 472 CA ILE A 30 29.426 31.198 15.849 1.00 0.00 C ATOM 473 C ILE A 30 30.743 31.405 15.111 1.00 0.00 C ATOM 474 O ILE A 30 31.358 32.468 15.163 1.00 0.00 O ATOM 475 CB ILE A 30 29.505 30.205 17.016 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.208 30.182 17.813 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.653 30.499 17.987 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.985 28.876 18.569 1.00 0.00 C ATOM 0 H ILE A 30 28.081 29.890 14.982 1.00 0.00 H new ATOM 0 HA ILE A 30 29.170 32.140 16.334 1.00 0.00 H new ATOM 0 HB ILE A 30 29.686 29.237 16.550 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.212 31.008 18.524 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.371 30.349 17.135 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.651 29.759 18.788 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.602 30.453 17.453 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.524 31.494 18.412 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.043 28.928 19.115 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.949 28.048 17.861 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.803 28.718 19.271 1.00 0.00 H new ATOM 490 N GLN A 31 31.099 30.537 14.165 1.00 0.00 N ATOM 491 CA GLN A 31 32.386 30.641 13.494 1.00 0.00 C ATOM 492 C GLN A 31 32.411 31.888 12.593 1.00 0.00 C ATOM 493 O GLN A 31 33.370 32.663 12.588 1.00 0.00 O ATOM 494 CB GLN A 31 32.558 29.556 12.430 1.00 0.00 C ATOM 495 CG GLN A 31 33.894 29.301 11.727 1.00 0.00 C ATOM 496 CD GLN A 31 33.896 28.350 10.535 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.030 27.484 10.419 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.935 28.457 9.715 1.00 0.00 N ATOM 0 H GLN A 31 30.517 29.761 13.850 1.00 0.00 H new ATOM 0 HA GLN A 31 33.124 30.612 14.295 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.264 28.614 12.894 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.829 29.767 11.648 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.285 30.261 11.391 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.594 28.913 12.467 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.624 29.195 9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.044 27.801 8.942 1.00 0.00 H new ATOM 507 N ASP A 32 31.357 32.248 11.871 1.00 0.00 N ATOM 508 CA ASP A 32 31.000 33.424 11.111 1.00 0.00 C ATOM 509 C ASP A 32 31.157 34.681 11.973 1.00 0.00 C ATOM 510 O ASP A 32 31.944 35.527 11.531 1.00 0.00 O ATOM 511 CB ASP A 32 29.661 33.377 10.371 1.00 0.00 C ATOM 512 CG ASP A 32 29.524 34.489 9.337 1.00 0.00 C ATOM 513 OD1 ASP A 32 30.263 34.538 8.331 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.591 35.307 9.502 1.00 0.00 O ATOM 0 H ASP A 32 30.590 31.579 11.801 1.00 0.00 H new ATOM 0 HA ASP A 32 31.714 33.457 10.288 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.557 32.411 9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.848 33.455 11.093 1.00 0.00 H new ATOM 519 N LYS A 33 30.634 34.749 13.184 1.00 0.00 N ATOM 520 CA LYS A 33 30.843 35.935 13.989 1.00 0.00 C ATOM 521 C LYS A 33 32.260 35.947 14.559 1.00 0.00 C ATOM 522 O LYS A 33 32.903 36.958 14.281 1.00 0.00 O ATOM 523 CB LYS A 33 29.951 35.797 15.226 1.00 0.00 C ATOM 524 CG LYS A 33 28.487 36.127 14.914 1.00 0.00 C ATOM 525 CD LYS A 33 27.509 35.735 16.028 1.00 0.00 C ATOM 526 CE LYS A 33 26.246 36.586 15.918 1.00 0.00 C ATOM 527 NZ LYS A 33 26.418 38.011 16.245 1.00 0.00 N ATOM 0 H LYS A 33 30.075 34.016 13.622 1.00 0.00 H new ATOM 0 HA LYS A 33 30.647 36.816 13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 33 30.020 34.780 15.612 1.00 0.00 H new ATOM 0 HB3 LYS A 33 30.314 36.461 16.011 1.00 0.00 H new ATOM 0 HG2 LYS A 33 28.398 37.197 14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.198 35.617 13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.256 34.678 15.949 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.974 35.880 17.003 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.862 36.507 14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.487 36.167 16.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.496 38.425 16.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.066 38.106 17.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.814 38.510 15.423 1.00 0.00 H new ATOM 541 N GLU A 34 32.716 34.953 15.325 1.00 0.00 N ATOM 542 CA GLU A 34 33.817 35.063 16.254 1.00 0.00 C ATOM 543 C GLU A 34 34.945 34.184 15.701 1.00 0.00 C ATOM 544 O GLU A 34 36.032 34.303 16.246 1.00 0.00 O ATOM 545 CB GLU A 34 33.500 34.633 17.691 1.00 0.00 C ATOM 546 CG GLU A 34 32.585 35.544 18.512 1.00 0.00 C ATOM 547 CD GLU A 34 33.392 36.689 19.118 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.157 36.588 20.100 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.345 37.767 18.490 1.00 0.00 O ATOM 0 H GLU A 34 32.306 34.019 15.306 1.00 0.00 H new ATOM 0 HA GLU A 34 34.081 36.118 16.329 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.045 33.643 17.654 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.443 34.530 18.228 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.793 35.943 17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.102 34.970 19.303 1.00 0.00 H new ATOM 556 N GLY A 35 34.816 33.289 14.724 1.00 0.00 N ATOM 557 CA GLY A 35 35.998 32.837 14.016 1.00 0.00 C ATOM 558 C GLY A 35 36.592 31.524 14.526 1.00 0.00 C ATOM 559 O GLY A 35 37.555 31.040 13.924 1.00 0.00 O ATOM 0 H GLY A 35 33.935 32.878 14.416 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.749 32.721 12.961 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.761 33.613 14.080 1.00 0.00 H new ATOM 563 N ILE A 36 35.933 30.953 15.528 1.00 0.00 N ATOM 564 CA ILE A 36 36.422 29.773 16.202 1.00 0.00 C ATOM 565 C ILE A 36 36.211 28.573 15.291 1.00 0.00 C ATOM 566 O ILE A 36 35.119 28.410 14.749 1.00 0.00 O ATOM 567 CB ILE A 36 35.652 29.694 17.527 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.670 30.972 18.360 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.070 28.557 18.461 1.00 0.00 C ATOM 570 CD1 ILE A 36 37.065 31.557 18.609 1.00 0.00 C ATOM 0 H ILE A 36 35.045 31.301 15.890 1.00 0.00 H new ATOM 0 HA ILE A 36 37.489 29.798 16.422 1.00 0.00 H new ATOM 0 HB ILE A 36 34.646 29.507 17.152 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.060 31.724 17.859 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.200 30.769 19.322 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.466 28.590 19.368 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.920 27.601 17.960 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.122 28.669 18.722 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.978 32.463 19.209 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.676 30.827 19.140 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.534 31.797 17.655 1.00 0.00 H new ATOM 582 N PRO A 37 37.178 27.676 15.093 1.00 0.00 N ATOM 583 CA PRO A 37 36.940 26.493 14.283 1.00 0.00 C ATOM 584 C PRO A 37 35.949 25.469 14.846 1.00 0.00 C ATOM 585 O PRO A 37 35.840 25.372 16.063 1.00 0.00 O ATOM 586 CB PRO A 37 38.329 25.868 14.180 1.00 0.00 C ATOM 587 CG PRO A 37 39.203 26.500 15.268 1.00 0.00 C ATOM 588 CD PRO A 37 38.436 27.705 15.813 1.00 0.00 C ATOM 0 HA PRO A 37 36.472 26.782 13.342 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.274 24.788 14.313 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.757 26.046 13.193 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.409 25.783 16.062 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.165 26.808 14.859 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.282 27.626 16.889 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.976 28.635 15.636 1.00 0.00 H new ATOM 596 N PRO A 38 35.168 24.813 13.983 1.00 0.00 N ATOM 597 CA PRO A 38 33.985 24.146 14.492 1.00 0.00 C ATOM 598 C PRO A 38 34.364 22.871 15.250 1.00 0.00 C ATOM 599 O PRO A 38 33.619 22.543 16.164 1.00 0.00 O ATOM 600 CB PRO A 38 33.048 24.052 13.288 1.00 0.00 C ATOM 601 CG PRO A 38 34.045 23.813 12.150 1.00 0.00 C ATOM 602 CD PRO A 38 35.217 24.713 12.544 1.00 0.00 C ATOM 0 HA PRO A 38 33.438 24.674 15.274 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.333 23.235 13.386 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.471 24.965 13.144 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.342 22.766 12.083 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.629 24.089 11.181 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.165 24.288 12.213 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.129 25.696 12.080 1.00 0.00 H new ATOM 610 N ASP A 39 35.499 22.230 14.977 1.00 0.00 N ATOM 611 CA ASP A 39 36.082 21.002 15.459 1.00 0.00 C ATOM 612 C ASP A 39 36.640 21.332 16.849 1.00 0.00 C ATOM 613 O ASP A 39 36.943 20.362 17.548 1.00 0.00 O ATOM 614 CB ASP A 39 37.273 20.451 14.672 1.00 0.00 C ATOM 615 CG ASP A 39 38.281 21.538 14.325 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.077 22.269 13.335 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.317 21.703 15.011 1.00 0.00 O ATOM 0 H ASP A 39 36.129 22.646 14.291 1.00 0.00 H new ATOM 0 HA ASP A 39 35.296 20.249 15.397 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.765 19.674 15.257 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.916 19.982 13.755 1.00 0.00 H new ATOM 622 N GLN A 40 36.724 22.601 17.222 1.00 0.00 N ATOM 623 CA GLN A 40 37.115 23.056 18.542 1.00 0.00 C ATOM 624 C GLN A 40 35.920 23.547 19.366 1.00 0.00 C ATOM 625 O GLN A 40 36.070 23.727 20.581 1.00 0.00 O ATOM 626 CB GLN A 40 38.077 24.220 18.284 1.00 0.00 C ATOM 627 CG GLN A 40 38.630 25.060 19.438 1.00 0.00 C ATOM 628 CD GLN A 40 39.680 24.275 20.199 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.220 24.865 21.135 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.110 23.080 19.814 1.00 0.00 N ATOM 0 H GLN A 40 36.513 23.370 16.586 1.00 0.00 H new ATOM 0 HA GLN A 40 37.562 22.244 19.115 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.934 23.812 17.747 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.572 24.906 17.604 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.064 25.982 19.051 1.00 0.00 H new ATOM 0 HG3 GLN A 40 37.821 25.346 20.110 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.655 22.600 19.037 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.895 22.641 20.295 1.00 0.00 H new ATOM 639 N GLN A 41 34.726 23.833 18.866 1.00 0.00 N ATOM 640 CA GLN A 41 33.632 24.322 19.673 1.00 0.00 C ATOM 641 C GLN A 41 32.913 23.143 20.334 1.00 0.00 C ATOM 642 O GLN A 41 32.108 22.553 19.606 1.00 0.00 O ATOM 643 CB GLN A 41 32.701 25.021 18.679 1.00 0.00 C ATOM 644 CG GLN A 41 33.213 26.311 18.033 1.00 0.00 C ATOM 645 CD GLN A 41 32.096 26.952 17.221 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.927 26.817 17.576 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.425 27.556 16.075 1.00 0.00 N ATOM 0 H GLN A 41 34.494 23.729 17.878 1.00 0.00 H new ATOM 0 HA GLN A 41 33.961 24.990 20.469 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.464 24.315 17.883 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.767 25.247 19.192 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.561 27.002 18.801 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.066 26.094 17.390 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.406 27.651 15.812 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.695 27.922 15.464 1.00 0.00 H new ATOM 656 N ARG A 42 33.201 22.748 21.567 1.00 0.00 N ATOM 657 CA ARG A 42 32.506 21.702 22.283 1.00 0.00 C ATOM 658 C ARG A 42 31.312 22.325 23.012 1.00 0.00 C ATOM 659 O ARG A 42 31.368 22.765 24.155 1.00 0.00 O ATOM 660 CB ARG A 42 33.438 21.023 23.289 1.00 0.00 C ATOM 661 CG ARG A 42 34.699 20.551 22.576 1.00 0.00 C ATOM 662 CD ARG A 42 35.718 19.990 23.572 1.00 0.00 C ATOM 663 NE ARG A 42 36.573 18.991 22.934 1.00 0.00 N ATOM 664 CZ ARG A 42 37.000 17.839 23.469 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.829 17.535 24.761 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.708 17.040 22.663 1.00 0.00 N ATOM 0 H ARG A 42 33.955 23.167 22.111 1.00 0.00 H new ATOM 0 HA ARG A 42 32.164 20.944 21.579 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.698 21.719 24.087 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.933 20.177 23.755 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.442 19.785 21.844 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.142 21.381 22.026 1.00 0.00 H new ATOM 0 HD2 ARG A 42 36.331 20.800 23.967 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.197 19.542 24.418 1.00 0.00 H new ATOM 0 HE ARG A 42 36.877 19.192 21.981 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.357 18.193 25.382 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.171 16.646 25.125 1.00 0.00 H new ATOM 0 HH21 ARG A 42 37.894 17.322 21.701 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.062 16.149 23.011 1.00 0.00 H new ATOM 680 N LEU A 43 30.195 22.271 22.283 1.00 0.00 N ATOM 681 CA LEU A 43 28.965 22.835 22.808 1.00 0.00 C ATOM 682 C LEU A 43 28.245 21.791 23.660 1.00 0.00 C ATOM 683 O LEU A 43 28.112 20.622 23.307 1.00 0.00 O ATOM 684 CB LEU A 43 28.061 23.355 21.678 1.00 0.00 C ATOM 685 CG LEU A 43 28.590 24.497 20.819 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.509 24.161 19.333 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.902 25.837 21.121 1.00 0.00 C ATOM 0 H LEU A 43 30.123 21.854 21.355 1.00 0.00 H new ATOM 0 HA LEU A 43 29.212 23.691 23.436 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.832 22.518 21.019 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.120 23.678 22.123 1.00 0.00 H new ATOM 0 HG LEU A 43 29.640 24.618 21.084 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.894 24.997 18.749 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.104 23.271 19.128 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.471 23.975 19.058 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.319 26.613 20.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.832 25.747 20.933 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.066 26.103 22.165 1.00 0.00 H new ATOM 699 N ILE A 44 27.894 22.286 24.842 1.00 0.00 N ATOM 700 CA ILE A 44 27.371 21.559 25.984 1.00 0.00 C ATOM 701 C ILE A 44 25.955 22.053 26.260 1.00 0.00 C ATOM 702 O ILE A 44 25.724 23.265 26.289 1.00 0.00 O ATOM 703 CB ILE A 44 28.375 21.575 27.132 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.759 21.101 26.685 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.790 20.709 28.254 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.720 20.752 27.826 1.00 0.00 C ATOM 0 H ILE A 44 27.976 23.284 25.037 1.00 0.00 H new ATOM 0 HA ILE A 44 27.256 20.491 25.796 1.00 0.00 H new ATOM 0 HB ILE A 44 28.530 22.592 27.492 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.639 20.224 26.049 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.213 21.879 26.072 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.479 20.693 29.098 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.834 21.124 28.574 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.640 19.693 27.889 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.674 20.427 27.411 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.877 21.631 28.451 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.294 19.950 28.428 1.00 0.00 H new ATOM 718 N PHE A 45 25.100 21.123 26.663 1.00 0.00 N ATOM 719 CA PHE A 45 23.843 21.382 27.337 1.00 0.00 C ATOM 720 C PHE A 45 23.564 20.296 28.380 1.00 0.00 C ATOM 721 O PHE A 45 23.583 19.103 28.095 1.00 0.00 O ATOM 722 CB PHE A 45 22.779 21.446 26.240 1.00 0.00 C ATOM 723 CG PHE A 45 21.416 21.969 26.613 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.318 23.314 26.998 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.275 21.179 26.426 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.077 23.798 27.422 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.054 21.635 26.922 1.00 0.00 C ATOM 728 CZ PHE A 45 18.970 22.927 27.452 1.00 0.00 C ATOM 0 H PHE A 45 25.274 20.128 26.522 1.00 0.00 H new ATOM 0 HA PHE A 45 23.855 22.320 27.892 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.167 22.068 25.433 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.653 20.441 25.836 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.182 23.961 26.968 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.339 20.234 25.907 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.968 24.829 27.724 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.183 20.998 26.897 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.042 23.262 27.891 1.00 0.00 H new ATOM 738 N ALA A 46 23.241 20.686 29.604 1.00 0.00 N ATOM 739 CA ALA A 46 22.844 19.775 30.663 1.00 0.00 C ATOM 740 C ALA A 46 23.785 18.642 31.078 1.00 0.00 C ATOM 741 O ALA A 46 23.309 17.741 31.771 1.00 0.00 O ATOM 742 CB ALA A 46 21.393 19.375 30.414 1.00 0.00 C ATOM 0 H ALA A 46 23.248 21.664 29.893 1.00 0.00 H new ATOM 0 HA ALA A 46 22.938 20.337 31.592 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.065 18.689 31.195 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.763 20.265 30.425 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.312 18.885 29.444 1.00 0.00 H new ATOM 748 N GLY A 47 25.059 18.693 30.702 1.00 0.00 N ATOM 749 CA GLY A 47 25.982 17.589 30.915 1.00 0.00 C ATOM 750 C GLY A 47 26.446 16.958 29.599 1.00 0.00 C ATOM 751 O GLY A 47 27.569 16.462 29.562 1.00 0.00 O ATOM 0 H GLY A 47 25.478 19.501 30.242 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.850 17.945 31.470 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.500 16.829 31.530 1.00 0.00 H new ATOM 755 N LYS A 48 25.622 16.918 28.561 1.00 0.00 N ATOM 756 CA LYS A 48 25.889 16.178 27.339 1.00 0.00 C ATOM 757 C LYS A 48 26.573 17.119 26.355 1.00 0.00 C ATOM 758 O LYS A 48 25.996 18.173 26.108 1.00 0.00 O ATOM 759 CB LYS A 48 24.504 15.824 26.796 1.00 0.00 C ATOM 760 CG LYS A 48 24.646 14.667 25.799 1.00 0.00 C ATOM 761 CD LYS A 48 23.271 13.999 25.705 1.00 0.00 C ATOM 762 CE LYS A 48 23.192 12.558 25.186 1.00 0.00 C ATOM 763 NZ LYS A 48 22.995 12.585 23.727 1.00 0.00 N ATOM 0 H LYS A 48 24.729 17.411 28.547 1.00 0.00 H new ATOM 0 HA LYS A 48 26.517 15.301 27.496 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.840 15.540 27.612 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.057 16.690 26.308 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.966 15.033 24.824 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.400 13.956 26.136 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.824 14.018 26.699 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.645 14.618 25.062 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.106 12.018 25.433 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.370 12.029 25.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.126 11.628 23.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.033 12.916 23.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.687 13.230 23.295 1.00 0.00 H new ATOM 777 N GLN A 49 27.713 16.646 25.840 1.00 0.00 N ATOM 778 CA GLN A 49 28.451 17.196 24.715 1.00 0.00 C ATOM 779 C GLN A 49 27.779 16.647 23.447 1.00 0.00 C ATOM 780 O GLN A 49 27.771 15.485 23.060 1.00 0.00 O ATOM 781 CB GLN A 49 29.887 16.686 24.807 1.00 0.00 C ATOM 782 CG GLN A 49 30.906 17.594 24.106 1.00 0.00 C ATOM 783 CD GLN A 49 31.028 17.577 22.595 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.842 18.288 22.005 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.370 16.653 21.903 1.00 0.00 N ATOM 0 H GLN A 49 28.167 15.818 26.227 1.00 0.00 H new ATOM 0 HA GLN A 49 28.456 18.286 24.706 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.162 16.587 25.857 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.939 15.689 24.369 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.682 18.619 24.401 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.888 17.352 24.513 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.691 16.053 22.371 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.544 16.544 20.904 1.00 0.00 H new ATOM 794 N LEU A 50 27.046 17.572 22.849 1.00 0.00 N ATOM 795 CA LEU A 50 25.959 17.231 21.946 1.00 0.00 C ATOM 796 C LEU A 50 26.424 16.669 20.594 1.00 0.00 C ATOM 797 O LEU A 50 27.361 17.204 19.995 1.00 0.00 O ATOM 798 CB LEU A 50 24.982 18.373 21.673 1.00 0.00 C ATOM 799 CG LEU A 50 24.060 18.765 22.821 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.001 19.849 22.638 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.383 17.486 23.336 1.00 0.00 C ATOM 0 H LEU A 50 27.186 18.574 22.975 1.00 0.00 H new ATOM 0 HA LEU A 50 25.439 16.450 22.500 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.557 19.252 21.381 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.365 18.097 20.818 1.00 0.00 H new ATOM 0 HG LEU A 50 24.743 19.255 23.515 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.450 19.980 23.569 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.484 20.788 22.367 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.312 19.554 21.847 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.715 17.735 24.161 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.810 17.028 22.530 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.143 16.787 23.683 1.00 0.00 H new ATOM 813 N GLU A 51 25.961 15.495 20.193 1.00 0.00 N ATOM 814 CA GLU A 51 26.496 14.708 19.107 1.00 0.00 C ATOM 815 C GLU A 51 26.018 15.406 17.830 1.00 0.00 C ATOM 816 O GLU A 51 25.187 16.304 17.796 1.00 0.00 O ATOM 817 CB GLU A 51 25.910 13.298 19.168 1.00 0.00 C ATOM 818 CG GLU A 51 26.360 12.451 20.356 1.00 0.00 C ATOM 819 CD GLU A 51 25.336 12.516 21.488 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.180 13.527 22.208 1.00 0.00 O ATOM 821 OE2 GLU A 51 24.631 11.492 21.626 1.00 0.00 O ATOM 0 H GLU A 51 25.162 15.048 20.643 1.00 0.00 H new ATOM 0 HA GLU A 51 27.582 14.629 19.149 1.00 0.00 H new ATOM 0 HB2 GLU A 51 24.823 13.376 19.190 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.173 12.774 18.249 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.495 11.416 20.040 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.327 12.803 20.714 1.00 0.00 H new ATOM 828 N ASP A 52 26.704 15.078 16.739 1.00 0.00 N ATOM 829 CA ASP A 52 26.286 15.305 15.364 1.00 0.00 C ATOM 830 C ASP A 52 25.250 14.288 14.883 1.00 0.00 C ATOM 831 O ASP A 52 25.297 13.118 15.248 1.00 0.00 O ATOM 832 CB ASP A 52 27.496 15.116 14.446 1.00 0.00 C ATOM 833 CG ASP A 52 27.320 15.646 13.021 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.470 16.855 12.790 1.00 0.00 O ATOM 835 OD2 ASP A 52 27.044 14.861 12.092 1.00 0.00 O ATOM 0 H ASP A 52 27.615 14.622 16.796 1.00 0.00 H new ATOM 0 HA ASP A 52 25.861 16.308 15.331 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.356 15.611 14.897 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.731 14.053 14.395 1.00 0.00 H new ATOM 840 N GLY A 53 24.480 14.757 13.892 1.00 0.00 N ATOM 841 CA GLY A 53 23.620 13.998 13.021 1.00 0.00 C ATOM 842 C GLY A 53 22.122 14.280 13.185 1.00 0.00 C ATOM 843 O GLY A 53 21.304 13.681 12.489 1.00 0.00 O ATOM 0 H GLY A 53 24.452 15.753 13.675 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.902 14.202 11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.796 12.937 13.196 1.00 0.00 H new ATOM 847 N ARG A 54 21.763 15.101 14.157 1.00 0.00 N ATOM 848 CA ARG A 54 20.376 15.305 14.522 1.00 0.00 C ATOM 849 C ARG A 54 20.130 16.798 14.728 1.00 0.00 C ATOM 850 O ARG A 54 21.078 17.560 14.909 1.00 0.00 O ATOM 851 CB ARG A 54 20.047 14.373 15.692 1.00 0.00 C ATOM 852 CG ARG A 54 19.652 12.960 15.260 1.00 0.00 C ATOM 853 CD ARG A 54 18.669 12.199 16.139 1.00 0.00 C ATOM 854 NE ARG A 54 18.298 10.976 15.428 1.00 0.00 N ATOM 855 CZ ARG A 54 17.768 9.852 15.930 1.00 0.00 C ATOM 856 NH1 ARG A 54 17.381 9.734 17.208 1.00 0.00 N ATOM 857 NH2 ARG A 54 17.697 8.743 15.190 1.00 0.00 N ATOM 0 H ARG A 54 22.425 15.643 14.713 1.00 0.00 H new ATOM 0 HA ARG A 54 19.671 15.028 13.738 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.913 14.313 16.352 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.233 14.807 16.273 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.227 13.022 14.258 1.00 0.00 H new ATOM 0 HG3 ARG A 54 20.563 12.366 15.184 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.121 11.960 17.102 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.787 12.806 16.343 1.00 0.00 H new ATOM 0 HE ARG A 54 18.464 10.979 14.422 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.485 10.522 17.847 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.983 8.856 17.541 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.048 8.746 14.232 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.292 7.893 15.582 1.00 0.00 H new ATOM 871 N THR A 55 18.891 17.260 14.853 1.00 0.00 N ATOM 872 CA THR A 55 18.527 18.655 14.956 1.00 0.00 C ATOM 873 C THR A 55 18.079 19.056 16.357 1.00 0.00 C ATOM 874 O THR A 55 17.888 18.264 17.282 1.00 0.00 O ATOM 875 CB THR A 55 17.491 18.905 13.853 1.00 0.00 C ATOM 876 OG1 THR A 55 16.298 18.197 14.093 1.00 0.00 O ATOM 877 CG2 THR A 55 17.881 18.581 12.406 1.00 0.00 C ATOM 0 H THR A 55 18.082 16.639 14.886 1.00 0.00 H new ATOM 0 HA THR A 55 19.390 19.303 14.801 1.00 0.00 H new ATOM 0 HB THR A 55 17.389 19.988 13.920 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.506 17.345 14.531 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.046 18.810 11.744 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.746 19.179 12.120 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.129 17.523 12.324 1.00 0.00 H new ATOM 885 N LEU A 56 17.839 20.344 16.607 1.00 0.00 N ATOM 886 CA LEU A 56 17.741 20.843 17.970 1.00 0.00 C ATOM 887 C LEU A 56 16.373 20.442 18.539 1.00 0.00 C ATOM 888 O LEU A 56 16.236 20.367 19.762 1.00 0.00 O ATOM 889 CB LEU A 56 17.959 22.345 18.029 1.00 0.00 C ATOM 890 CG LEU A 56 19.186 22.914 17.301 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.061 24.399 16.938 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.519 22.613 17.985 1.00 0.00 C ATOM 0 H LEU A 56 17.710 21.053 15.885 1.00 0.00 H new ATOM 0 HA LEU A 56 18.528 20.398 18.580 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.072 22.830 17.621 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.027 22.634 19.078 1.00 0.00 H new ATOM 0 HG LEU A 56 19.197 22.364 16.360 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.967 24.726 16.427 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.202 24.542 16.282 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.925 24.985 17.847 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.332 23.050 17.406 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.518 23.040 18.988 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.659 21.534 18.050 1.00 0.00 H new ATOM 904 N SER A 57 15.376 20.084 17.745 1.00 0.00 N ATOM 905 CA SER A 57 14.042 19.636 18.089 1.00 0.00 C ATOM 906 C SER A 57 14.198 18.187 18.539 1.00 0.00 C ATOM 907 O SER A 57 13.450 17.818 19.444 1.00 0.00 O ATOM 908 CB SER A 57 13.110 19.658 16.882 1.00 0.00 C ATOM 909 OG SER A 57 11.726 19.452 17.019 1.00 0.00 O ATOM 0 H SER A 57 15.500 20.104 16.733 1.00 0.00 H new ATOM 0 HA SER A 57 13.614 20.287 18.851 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.240 20.626 16.399 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.475 18.903 16.186 1.00 0.00 H new ATOM 0 HG SER A 57 11.299 19.504 16.139 1.00 0.00 H new ATOM 915 N ASP A 58 15.138 17.397 18.035 1.00 0.00 N ATOM 916 CA ASP A 58 15.321 15.980 18.276 1.00 0.00 C ATOM 917 C ASP A 58 15.988 15.964 19.656 1.00 0.00 C ATOM 918 O ASP A 58 15.611 15.119 20.475 1.00 0.00 O ATOM 919 CB ASP A 58 16.357 15.269 17.389 1.00 0.00 C ATOM 920 CG ASP A 58 16.012 15.146 15.907 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.084 14.351 15.641 1.00 0.00 O ATOM 922 OD2 ASP A 58 16.704 15.636 15.003 1.00 0.00 O ATOM 0 H ASP A 58 15.845 17.764 17.398 1.00 0.00 H new ATOM 0 HA ASP A 58 14.361 15.486 18.122 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.304 15.801 17.476 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.517 14.267 17.787 1.00 0.00 H new ATOM 927 N TYR A 59 16.963 16.830 19.879 1.00 0.00 N ATOM 928 CA TYR A 59 17.662 17.074 21.130 1.00 0.00 C ATOM 929 C TYR A 59 16.848 17.815 22.184 1.00 0.00 C ATOM 930 O TYR A 59 17.351 18.108 23.276 1.00 0.00 O ATOM 931 CB TYR A 59 18.887 17.913 20.785 1.00 0.00 C ATOM 932 CG TYR A 59 20.008 17.144 20.128 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.327 15.814 20.436 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.656 17.766 19.061 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.276 15.097 19.700 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.519 17.055 18.214 1.00 0.00 C ATOM 937 CZ TYR A 59 21.932 15.795 18.687 1.00 0.00 C ATOM 938 OH TYR A 59 22.950 15.201 18.013 1.00 0.00 O ATOM 0 H TYR A 59 17.314 17.428 19.131 1.00 0.00 H new ATOM 0 HA TYR A 59 17.898 16.105 21.571 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.582 18.723 20.122 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.265 18.373 21.698 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.827 15.331 21.263 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.490 18.818 18.883 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.489 14.058 19.905 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.845 17.448 17.262 1.00 0.00 H new ATOM 0 HH TYR A 59 23.518 15.888 17.606 1.00 0.00 H new ATOM 948 N ASN A 60 15.596 18.132 21.900 1.00 0.00 N ATOM 949 CA ASN A 60 14.606 18.672 22.818 1.00 0.00 C ATOM 950 C ASN A 60 14.876 20.133 23.201 1.00 0.00 C ATOM 951 O ASN A 60 14.187 20.595 24.114 1.00 0.00 O ATOM 952 CB ASN A 60 14.496 17.822 24.084 1.00 0.00 C ATOM 953 CG ASN A 60 13.078 17.668 24.602 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.262 16.972 23.988 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.809 18.262 25.754 1.00 0.00 N ATOM 0 H ASN A 60 15.219 18.011 20.960 1.00 0.00 H new ATOM 0 HA ASN A 60 13.659 18.642 22.279 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.908 16.833 23.882 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.111 18.270 24.865 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.888 18.156 26.179 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.523 18.825 26.216 1.00 0.00 H new ATOM 962 N ILE A 61 15.833 20.890 22.684 1.00 0.00 N ATOM 963 CA ILE A 61 16.245 22.180 23.189 1.00 0.00 C ATOM 964 C ILE A 61 15.105 23.159 22.880 1.00 0.00 C ATOM 965 O ILE A 61 14.728 23.246 21.717 1.00 0.00 O ATOM 966 CB ILE A 61 17.615 22.645 22.679 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.708 21.594 22.530 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.110 23.941 23.333 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.934 22.093 21.779 1.00 0.00 C ATOM 0 H ILE A 61 16.365 20.603 21.862 1.00 0.00 H new ATOM 0 HA ILE A 61 16.410 22.121 24.265 1.00 0.00 H new ATOM 0 HB ILE A 61 17.384 22.878 21.640 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.012 21.255 23.520 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.300 20.729 22.008 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.084 24.207 22.922 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.400 24.744 23.133 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.198 23.795 24.410 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.670 21.292 21.711 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.644 22.405 20.776 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.367 22.940 22.312 1.00 0.00 H new ATOM 981 N GLN A 62 14.679 23.902 23.896 1.00 0.00 N ATOM 982 CA GLN A 62 13.691 24.951 23.726 1.00 0.00 C ATOM 983 C GLN A 62 14.396 26.303 23.755 1.00 0.00 C ATOM 984 O GLN A 62 15.456 26.435 24.365 1.00 0.00 O ATOM 985 CB GLN A 62 12.856 24.977 25.009 1.00 0.00 C ATOM 986 CG GLN A 62 12.211 23.611 25.276 1.00 0.00 C ATOM 987 CD GLN A 62 11.325 23.097 24.159 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.478 23.848 23.671 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.700 21.933 23.631 1.00 0.00 N ATOM 0 H GLN A 62 15.010 23.792 24.855 1.00 0.00 H new ATOM 0 HA GLN A 62 13.128 24.781 22.808 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.488 25.255 25.852 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.081 25.739 24.927 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.000 22.882 25.459 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.619 23.677 26.189 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.410 21.367 24.096 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.278 21.608 22.761 1.00 0.00 H new ATOM 998 N LYS A 63 13.580 27.263 23.318 1.00 0.00 N ATOM 999 CA LYS A 63 13.726 28.703 23.327 1.00 0.00 C ATOM 1000 C LYS A 63 14.295 29.282 24.627 1.00 0.00 C ATOM 1001 O LYS A 63 13.759 28.994 25.692 1.00 0.00 O ATOM 1002 CB LYS A 63 12.327 29.212 22.985 1.00 0.00 C ATOM 1003 CG LYS A 63 12.344 30.654 22.470 1.00 0.00 C ATOM 1004 CD LYS A 63 10.923 31.032 22.058 1.00 0.00 C ATOM 1005 CE LYS A 63 10.840 32.546 21.835 1.00 0.00 C ATOM 1006 NZ LYS A 63 11.053 33.351 23.043 1.00 0.00 N ATOM 0 H LYS A 63 12.688 27.005 22.896 1.00 0.00 H new ATOM 0 HA LYS A 63 14.476 29.033 22.609 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.881 28.564 22.230 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.694 29.152 23.870 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.707 31.330 23.244 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.023 30.747 21.622 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.645 30.504 21.146 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.216 30.728 22.830 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.581 32.832 21.088 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.861 32.787 21.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.150 33.771 23.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.424 32.745 23.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.736 34.108 22.839 1.00 0.00 H new ATOM 1020 N GLU A 64 15.403 30.022 24.561 1.00 0.00 N ATOM 1021 CA GLU A 64 16.030 30.831 25.583 1.00 0.00 C ATOM 1022 C GLU A 64 16.978 30.026 26.483 1.00 0.00 C ATOM 1023 O GLU A 64 17.517 30.479 27.491 1.00 0.00 O ATOM 1024 CB GLU A 64 15.180 31.841 26.349 1.00 0.00 C ATOM 1025 CG GLU A 64 14.968 33.219 25.734 1.00 0.00 C ATOM 1026 CD GLU A 64 13.817 33.264 24.741 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.755 32.681 25.063 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.943 33.840 23.632 1.00 0.00 O ATOM 0 H GLU A 64 15.933 30.067 23.691 1.00 0.00 H new ATOM 0 HA GLU A 64 16.628 31.507 24.972 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.199 31.395 26.512 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.633 31.981 27.330 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.780 33.940 26.530 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.884 33.530 25.232 1.00 0.00 H new ATOM 1035 N SER A 65 17.223 28.781 26.111 1.00 0.00 N ATOM 1036 CA SER A 65 18.139 27.898 26.804 1.00 0.00 C ATOM 1037 C SER A 65 19.574 28.437 26.704 1.00 0.00 C ATOM 1038 O SER A 65 20.014 28.739 25.594 1.00 0.00 O ATOM 1039 CB SER A 65 18.061 26.488 26.225 1.00 0.00 C ATOM 1040 OG SER A 65 17.098 25.738 26.948 1.00 0.00 O ATOM 0 H SER A 65 16.780 28.349 25.301 1.00 0.00 H new ATOM 0 HA SER A 65 17.853 27.856 27.855 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.789 26.530 25.170 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.036 26.004 26.284 1.00 0.00 H new ATOM 0 HG SER A 65 17.474 24.865 27.185 1.00 0.00 H new ATOM 1046 N THR A 66 20.387 28.421 27.750 1.00 0.00 N ATOM 1047 CA THR A 66 21.794 28.790 27.741 1.00 0.00 C ATOM 1048 C THR A 66 22.647 27.540 27.533 1.00 0.00 C ATOM 1049 O THR A 66 22.723 26.699 28.416 1.00 0.00 O ATOM 1050 CB THR A 66 22.055 29.482 29.073 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.293 30.657 29.245 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.471 30.060 29.082 1.00 0.00 C ATOM 0 H THR A 66 20.066 28.136 28.675 1.00 0.00 H new ATOM 0 HA THR A 66 22.054 29.466 26.926 1.00 0.00 H new ATOM 0 HB THR A 66 21.839 28.721 29.823 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.500 31.057 30.116 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.656 30.555 30.036 1.00 0.00 H new ATOM 0 HG22 THR A 66 24.193 29.255 28.944 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.574 30.783 28.272 1.00 0.00 H new ATOM 1060 N LEU A 67 23.226 27.412 26.334 1.00 0.00 N ATOM 1061 CA LEU A 67 24.094 26.302 25.997 1.00 0.00 C ATOM 1062 C LEU A 67 25.462 26.950 26.203 1.00 0.00 C ATOM 1063 O LEU A 67 25.708 28.133 25.970 1.00 0.00 O ATOM 1064 CB LEU A 67 23.983 25.926 24.519 1.00 0.00 C ATOM 1065 CG LEU A 67 22.882 24.933 24.163 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.529 25.631 24.327 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.015 24.128 22.873 1.00 0.00 C ATOM 0 H LEU A 67 23.099 28.082 25.575 1.00 0.00 H new ATOM 0 HA LEU A 67 23.880 25.399 26.570 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.823 26.838 23.944 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.938 25.510 24.198 1.00 0.00 H new ATOM 0 HG LEU A 67 22.987 24.115 24.875 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.728 24.935 24.076 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.413 25.962 25.359 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.482 26.494 23.662 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.153 23.469 22.765 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.061 24.808 22.023 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.926 23.531 22.909 1.00 0.00 H new ATOM 1079 N HIS A 68 26.492 26.198 26.608 1.00 0.00 N ATOM 1080 CA HIS A 68 27.884 26.556 26.704 1.00 0.00 C ATOM 1081 C HIS A 68 28.588 26.175 25.399 1.00 0.00 C ATOM 1082 O HIS A 68 28.235 25.127 24.855 1.00 0.00 O ATOM 1083 CB HIS A 68 28.575 25.867 27.890 1.00 0.00 C ATOM 1084 CG HIS A 68 27.890 25.891 29.231 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.737 27.066 29.973 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.127 24.898 29.776 1.00 0.00 C ATOM 1087 CE1 HIS A 68 27.167 26.634 31.096 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.755 25.355 31.020 1.00 0.00 N ATOM 0 H HIS A 68 26.341 25.233 26.902 1.00 0.00 H new ATOM 0 HA HIS A 68 27.948 27.631 26.871 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.738 24.824 27.619 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.558 26.322 28.011 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.869 23.951 29.325 1.00 0.00 H new ATOM 0 HE1 HIS A 68 27.048 27.247 31.977 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.264 24.828 31.742 1.00 0.00 H new ATOM 1096 N LEU A 69 29.498 27.057 24.996 1.00 0.00 N ATOM 1097 CA LEU A 69 30.577 26.706 24.092 1.00 0.00 C ATOM 1098 C LEU A 69 31.729 26.743 25.096 1.00 0.00 C ATOM 1099 O LEU A 69 31.816 27.653 25.921 1.00 0.00 O ATOM 1100 CB LEU A 69 30.748 27.929 23.191 1.00 0.00 C ATOM 1101 CG LEU A 69 32.026 28.078 22.359 1.00 0.00 C ATOM 1102 CD1 LEU A 69 32.149 26.807 21.517 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.319 29.396 21.641 1.00 0.00 C ATOM 0 H LEU A 69 29.504 28.034 25.290 1.00 0.00 H new ATOM 0 HA LEU A 69 30.473 25.795 23.502 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.905 27.947 22.501 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.663 28.814 23.821 1.00 0.00 H new ATOM 0 HG LEU A 69 32.854 28.176 23.061 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.048 26.863 20.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.212 25.940 22.174 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.275 26.711 20.873 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.264 29.316 21.104 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.517 29.611 20.934 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.385 30.202 22.372 1.00 0.00 H new ATOM 1115 N VAL A 70 32.499 25.658 25.026 1.00 0.00 N ATOM 1116 CA VAL A 70 33.766 25.598 25.728 1.00 0.00 C ATOM 1117 C VAL A 70 34.771 25.070 24.706 1.00 0.00 C ATOM 1118 O VAL A 70 34.450 24.277 23.818 1.00 0.00 O ATOM 1119 CB VAL A 70 33.562 24.709 26.961 1.00 0.00 C ATOM 1120 CG1 VAL A 70 32.858 25.408 28.121 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.020 23.289 26.778 1.00 0.00 C ATOM 0 H VAL A 70 32.265 24.820 24.494 1.00 0.00 H new ATOM 0 HA VAL A 70 34.142 26.550 26.104 1.00 0.00 H new ATOM 0 HB VAL A 70 34.609 24.540 27.212 1.00 0.00 H new ATOM 0 HG11 VAL A 70 32.752 24.713 28.954 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.447 26.268 28.439 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.872 25.743 27.800 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.938 22.803 27.750 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.036 23.332 26.310 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.699 22.719 26.143 1.00 0.00 H new ATOM 1131 N LEU A 71 35.942 25.697 24.789 1.00 0.00 N ATOM 1132 CA LEU A 71 37.139 25.406 24.023 1.00 0.00 C ATOM 1133 C LEU A 71 38.060 24.640 24.963 1.00 0.00 C ATOM 1134 O LEU A 71 38.136 24.897 26.166 1.00 0.00 O ATOM 1135 CB LEU A 71 37.846 26.676 23.549 1.00 0.00 C ATOM 1136 CG LEU A 71 36.988 27.751 22.864 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.697 28.991 22.318 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.990 27.107 21.905 1.00 0.00 C ATOM 0 H LEU A 71 36.083 26.472 25.437 1.00 0.00 H new ATOM 0 HA LEU A 71 36.880 24.840 23.128 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.332 27.132 24.411 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.635 26.383 22.856 1.00 0.00 H new ATOM 0 HG LEU A 71 36.433 28.219 23.677 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.965 29.659 21.864 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.204 29.509 23.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.429 28.691 21.568 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.391 27.883 21.429 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.529 26.545 21.142 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.337 26.432 22.459 1.00 0.00 H new ATOM 1150 N ARG A 72 38.870 23.781 24.354 1.00 0.00 N ATOM 1151 CA ARG A 72 39.941 23.051 25.007 1.00 0.00 C ATOM 1152 C ARG A 72 41.326 23.353 24.427 1.00 0.00 C ATOM 1153 O ARG A 72 41.770 22.574 23.590 1.00 0.00 O ATOM 1154 CB ARG A 72 39.530 21.588 24.847 1.00 0.00 C ATOM 1155 CG ARG A 72 40.399 20.564 25.559 1.00 0.00 C ATOM 1156 CD ARG A 72 39.870 19.152 25.286 1.00 0.00 C ATOM 1157 NE ARG A 72 40.769 18.119 25.788 1.00 0.00 N ATOM 1158 CZ ARG A 72 41.616 17.447 24.999 1.00 0.00 C ATOM 1159 NH1 ARG A 72 41.556 17.470 23.654 1.00 0.00 N ATOM 1160 NH2 ARG A 72 42.473 16.609 25.588 1.00 0.00 N ATOM 0 H ARG A 72 38.793 23.569 23.359 1.00 0.00 H new ATOM 0 HA ARG A 72 40.056 23.339 26.052 1.00 0.00 H new ATOM 0 HB2 ARG A 72 38.507 21.478 25.207 1.00 0.00 H new ATOM 0 HB3 ARG A 72 39.521 21.349 23.784 1.00 0.00 H new ATOM 0 HG2 ARG A 72 41.430 20.648 25.216 1.00 0.00 H new ATOM 0 HG3 ARG A 72 40.402 20.760 26.631 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.891 19.037 25.751 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.730 19.019 24.213 1.00 0.00 H new ATOM 0 HE ARG A 72 40.751 17.899 26.784 1.00 0.00 H new ATOM 0 HH11 ARG A 72 40.837 18.021 23.185 1.00 0.00 H new ATOM 0 HH12 ARG A 72 42.230 16.937 23.104 1.00 0.00 H new ATOM 0 HH21 ARG A 72 42.465 16.501 26.602 1.00 0.00 H new ATOM 0 HH22 ARG A 72 43.136 16.077 25.024 1.00 0.00 H new ATOM 1174 N LEU A 73 41.900 24.500 24.791 1.00 0.00 N ATOM 1175 CA LEU A 73 42.947 25.179 24.061 1.00 0.00 C ATOM 1176 C LEU A 73 44.321 24.536 24.230 1.00 0.00 C ATOM 1177 O LEU A 73 45.182 24.638 23.347 1.00 0.00 O ATOM 1178 CB LEU A 73 42.853 26.671 24.383 1.00 0.00 C ATOM 1179 CG LEU A 73 41.508 27.312 24.027 1.00 0.00 C ATOM 1180 CD1 LEU A 73 41.240 28.585 24.821 1.00 0.00 C ATOM 1181 CD2 LEU A 73 41.579 27.695 22.550 1.00 0.00 C ATOM 0 H LEU A 73 41.629 24.995 25.641 1.00 0.00 H new ATOM 0 HA LEU A 73 42.798 25.069 22.987 1.00 0.00 H new ATOM 0 HB2 LEU A 73 43.039 26.813 25.448 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.645 27.196 23.849 1.00 0.00 H new ATOM 0 HG LEU A 73 40.712 26.602 24.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 40.274 28.999 24.530 1.00 0.00 H new ATOM 0 HD12 LEU A 73 41.230 28.354 25.886 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.024 29.314 24.615 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.639 28.158 22.248 1.00 0.00 H new ATOM 0 HD22 LEU A 73 42.396 28.400 22.396 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.752 26.801 21.950 1.00 0.00 H new ATOM 1193 N ARG A 74 44.652 23.845 25.304 1.00 0.00 N ATOM 1194 CA ARG A 74 45.824 23.026 25.581 1.00 0.00 C ATOM 1195 C ARG A 74 45.586 21.563 25.189 1.00 0.00 C ATOM 1196 O ARG A 74 46.320 20.929 24.438 1.00 0.00 O ATOM 1197 CB ARG A 74 46.195 23.136 27.057 1.00 0.00 C ATOM 1198 CG ARG A 74 46.817 24.492 27.366 1.00 0.00 C ATOM 1199 CD ARG A 74 47.664 24.447 28.640 1.00 0.00 C ATOM 1200 NE ARG A 74 48.562 25.585 28.806 1.00 0.00 N ATOM 1201 CZ ARG A 74 49.403 25.714 29.845 1.00 0.00 C ATOM 1202 NH1 ARG A 74 49.398 24.886 30.899 1.00 0.00 N ATOM 1203 NH2 ARG A 74 50.265 26.738 29.891 1.00 0.00 N ATOM 0 H ARG A 74 44.025 23.843 26.109 1.00 0.00 H new ATOM 0 HA ARG A 74 46.653 23.396 24.978 1.00 0.00 H new ATOM 0 HB2 ARG A 74 45.306 22.992 27.671 1.00 0.00 H new ATOM 0 HB3 ARG A 74 46.895 22.343 27.319 1.00 0.00 H new ATOM 0 HG2 ARG A 74 47.437 24.808 26.527 1.00 0.00 H new ATOM 0 HG3 ARG A 74 46.029 25.237 27.478 1.00 0.00 H new ATOM 0 HD2 ARG A 74 46.999 24.395 29.502 1.00 0.00 H new ATOM 0 HD3 ARG A 74 48.255 23.531 28.637 1.00 0.00 H new ATOM 0 HE ARG A 74 48.550 26.319 28.098 1.00 0.00 H new ATOM 0 HH11 ARG A 74 48.733 24.113 30.937 1.00 0.00 H new ATOM 0 HH12 ARG A 74 50.059 25.029 31.663 1.00 0.00 H new ATOM 0 HH21 ARG A 74 50.284 27.423 29.135 1.00 0.00 H new ATOM 0 HH22 ARG A 74 50.902 26.833 30.682 1.00 0.00 H new ATOM 1217 N GLY A 75 44.543 21.019 25.809 1.00 0.00 N ATOM 1218 CA GLY A 75 44.232 19.608 25.679 1.00 0.00 C ATOM 1219 C GLY A 75 44.573 18.853 26.962 1.00 0.00 C ATOM 1220 O GLY A 75 44.102 19.309 27.996 1.00 0.00 O ATOM 0 H GLY A 75 43.901 21.539 26.407 1.00 0.00 H new ATOM 0 HA2 GLY A 75 43.173 19.485 25.450 1.00 0.00 H new ATOM 0 HA3 GLY A 75 44.790 19.184 24.844 1.00 0.00 H new ATOM 1224 N GLY A 76 45.264 17.726 27.015 1.00 0.00 N ATOM 1225 CA GLY A 76 45.710 16.967 28.170 1.00 0.00 C ATOM 1226 C GLY A 76 47.216 16.730 28.121 1.00 0.00 C ATOM 1227 O GLY A 76 47.868 17.071 27.111 1.00 0.00 O ATOM 1228 OXT GLY A 76 47.862 16.393 29.132 1.00 0.00 O ATOM 0 H GLY A 76 45.558 17.271 26.151 1.00 0.00 H new ATOM 0 HA2 GLY A 76 45.452 17.503 29.083 1.00 0.00 H new ATOM 0 HA3 GLY A 76 45.189 16.010 28.204 1.00 0.00 H new TER 1232 GLY A 76