USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 60 ASN : amide:sc= -0.101 X(o=-0.18,f=-0.56) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.0773 X(o=-0.18,f=-0.55) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0967 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.056 (180deg=-0.192) USER MOD Single : A 1 MET N :NH3+ 165:sc= 2.27 (180deg=1.62) USER MOD Single : A 2 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.1!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 1.14 (180deg=0.291) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 19:sc= 1.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 22 THR OG1 : rot 170:sc= 0.00379 USER MOD Single : A 25 ASN : amide:sc= 0.767 K(o=0.77,f=-0.75) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.15 (180deg=0.961) USER MOD Single : A 31 GLN : amide:sc= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.781 K(o=-0.78,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 1.14 (180deg=-0.144!) USER MOD Single : A 49 GLN : amide:sc= 0.446 K(o=0.45,f=-6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00659 USER MOD Single : A 57 SER OG : rot -32:sc= 0.143 USER MOD Single : A 59 TYR OH : rot 15:sc= 1.26 USER MOD Single : A 63 LYS NZ :NH3+ -120:sc= 0.00261 (180deg=0) USER MOD Single : A 65 SER OG : rot 93:sc= 1 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 14.171 30.592 16.187 1.00 0.00 N ATOM 2 CA MET A 1 14.039 30.134 17.573 1.00 0.00 C ATOM 3 C MET A 1 15.219 30.671 18.390 1.00 0.00 C ATOM 4 O MET A 1 16.333 30.227 18.104 1.00 0.00 O ATOM 5 CB MET A 1 14.049 28.609 17.580 1.00 0.00 C ATOM 6 CG MET A 1 13.881 28.002 18.980 1.00 0.00 C ATOM 7 SD MET A 1 13.668 26.210 19.090 1.00 0.00 S ATOM 8 CE MET A 1 15.241 25.460 18.634 1.00 0.00 C ATOM 0 H1 MET A 1 13.535 30.039 15.577 1.00 0.00 H new ATOM 0 H2 MET A 1 13.918 31.599 16.129 1.00 0.00 H new ATOM 0 H3 MET A 1 15.153 30.463 15.871 1.00 0.00 H new ATOM 0 HA MET A 1 13.109 30.496 18.011 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.248 28.245 16.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.987 28.258 17.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.755 28.274 19.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.018 28.473 19.450 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.118 24.380 18.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.573 25.864 17.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.985 25.681 19.399 1.00 0.00 H new ATOM 20 N GLN A 2 14.996 31.752 19.131 1.00 0.00 N ATOM 21 CA GLN A 2 16.070 32.462 19.805 1.00 0.00 C ATOM 22 C GLN A 2 16.740 31.634 20.910 1.00 0.00 C ATOM 23 O GLN A 2 16.085 31.084 21.798 1.00 0.00 O ATOM 24 CB GLN A 2 15.649 33.845 20.318 1.00 0.00 C ATOM 25 CG GLN A 2 16.614 34.788 21.044 1.00 0.00 C ATOM 26 CD GLN A 2 17.746 35.390 20.231 1.00 0.00 C ATOM 27 OE1 GLN A 2 18.748 35.927 20.695 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.672 35.265 18.907 1.00 0.00 N ATOM 0 H GLN A 2 14.071 32.156 19.279 1.00 0.00 H new ATOM 0 HA GLN A 2 16.823 32.627 19.034 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.268 34.393 19.456 1.00 0.00 H new ATOM 0 HB3 GLN A 2 14.807 33.684 20.991 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.031 35.606 21.467 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.052 34.243 21.880 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.856 34.825 18.481 1.00 0.00 H new ATOM 0 HE22 GLN A 2 18.431 35.610 18.319 1.00 0.00 H new ATOM 37 N ILE A 3 18.071 31.573 20.960 1.00 0.00 N ATOM 38 CA ILE A 3 18.807 30.922 22.026 1.00 0.00 C ATOM 39 C ILE A 3 19.970 31.818 22.452 1.00 0.00 C ATOM 40 O ILE A 3 20.282 32.777 21.740 1.00 0.00 O ATOM 41 CB ILE A 3 19.284 29.535 21.599 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.278 29.492 20.433 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.081 28.607 21.525 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.913 28.139 20.117 1.00 0.00 C ATOM 0 H ILE A 3 18.671 31.984 20.245 1.00 0.00 H new ATOM 0 HA ILE A 3 18.149 30.774 22.882 1.00 0.00 H new ATOM 0 HB ILE A 3 19.946 29.142 22.371 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.766 29.844 19.537 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.078 30.202 20.643 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.407 27.612 21.221 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.605 28.550 22.504 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.368 28.993 20.797 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.595 28.245 19.273 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.465 27.784 20.987 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.133 27.421 19.865 1.00 0.00 H new ATOM 56 N PHE A 4 20.610 31.413 23.542 1.00 0.00 N ATOM 57 CA PHE A 4 21.848 31.961 24.053 1.00 0.00 C ATOM 58 C PHE A 4 22.948 30.894 23.959 1.00 0.00 C ATOM 59 O PHE A 4 22.752 29.860 24.577 1.00 0.00 O ATOM 60 CB PHE A 4 21.608 32.313 25.523 1.00 0.00 C ATOM 61 CG PHE A 4 20.441 33.256 25.674 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.472 34.509 25.044 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.330 32.869 26.438 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.449 35.411 25.345 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.278 33.774 26.670 1.00 0.00 C ATOM 66 CZ PHE A 4 18.408 35.090 26.217 1.00 0.00 C ATOM 0 H PHE A 4 20.255 30.652 24.120 1.00 0.00 H new ATOM 0 HA PHE A 4 22.156 32.839 23.485 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.419 31.402 26.092 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.505 32.770 25.941 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.259 34.767 24.351 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.282 31.872 26.850 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.464 36.389 24.888 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.385 33.457 27.189 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.711 35.850 26.538 1.00 0.00 H new ATOM 76 N VAL A 5 24.080 31.196 23.326 1.00 0.00 N ATOM 77 CA VAL A 5 25.283 30.402 23.480 1.00 0.00 C ATOM 78 C VAL A 5 26.244 31.286 24.268 1.00 0.00 C ATOM 79 O VAL A 5 26.321 32.488 24.030 1.00 0.00 O ATOM 80 CB VAL A 5 25.938 30.119 22.131 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.067 29.097 22.168 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.975 29.599 21.069 1.00 0.00 C ATOM 0 H VAL A 5 24.182 31.993 22.698 1.00 0.00 H new ATOM 0 HA VAL A 5 25.051 29.450 23.958 1.00 0.00 H new ATOM 0 HB VAL A 5 26.320 31.108 21.878 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.469 28.963 21.164 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.857 29.451 22.831 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.684 28.145 22.536 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.518 29.423 20.140 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.527 28.666 21.410 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.191 30.336 20.896 1.00 0.00 H new ATOM 92 N LYS A 6 27.044 30.578 25.063 1.00 0.00 N ATOM 93 CA LYS A 6 28.020 30.989 26.057 1.00 0.00 C ATOM 94 C LYS A 6 29.405 30.380 25.851 1.00 0.00 C ATOM 95 O LYS A 6 29.564 29.165 25.900 1.00 0.00 O ATOM 96 CB LYS A 6 27.397 30.884 27.451 1.00 0.00 C ATOM 97 CG LYS A 6 28.182 31.651 28.517 1.00 0.00 C ATOM 98 CD LYS A 6 27.451 31.673 29.851 1.00 0.00 C ATOM 99 CE LYS A 6 28.438 31.922 30.995 1.00 0.00 C ATOM 100 NZ LYS A 6 27.701 32.031 32.265 1.00 0.00 N ATOM 0 H LYS A 6 27.013 29.560 25.012 1.00 0.00 H new ATOM 0 HA LYS A 6 28.262 32.044 25.928 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.376 31.264 27.416 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.337 29.834 27.738 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.162 31.192 28.647 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.351 32.673 28.178 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.689 32.453 29.843 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.936 30.725 30.006 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.160 31.107 31.050 1.00 0.00 H new ATOM 0 HE3 LYS A 6 29.002 32.836 30.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.371 32.200 33.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.029 32.822 32.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.182 31.147 32.442 1.00 0.00 H new ATOM 114 N THR A 7 30.411 31.235 25.765 1.00 0.00 N ATOM 115 CA THR A 7 31.791 30.898 25.440 1.00 0.00 C ATOM 116 C THR A 7 32.613 30.905 26.733 1.00 0.00 C ATOM 117 O THR A 7 32.229 31.570 27.689 1.00 0.00 O ATOM 118 CB THR A 7 32.307 31.743 24.276 1.00 0.00 C ATOM 119 OG1 THR A 7 32.360 32.957 24.980 1.00 0.00 O ATOM 120 CG2 THR A 7 31.374 31.771 23.068 1.00 0.00 C ATOM 0 H THR A 7 30.283 32.234 25.928 1.00 0.00 H new ATOM 0 HA THR A 7 31.885 29.885 25.048 1.00 0.00 H new ATOM 0 HB THR A 7 33.229 31.409 23.799 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.684 33.666 24.386 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.811 32.391 22.285 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.235 30.757 22.692 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.410 32.185 23.363 1.00 0.00 H new ATOM 128 N LEU A 8 33.799 30.304 26.756 1.00 0.00 N ATOM 129 CA LEU A 8 34.646 29.963 27.886 1.00 0.00 C ATOM 130 C LEU A 8 35.457 31.098 28.509 1.00 0.00 C ATOM 131 O LEU A 8 35.786 31.095 29.692 1.00 0.00 O ATOM 132 CB LEU A 8 35.585 28.783 27.631 1.00 0.00 C ATOM 133 CG LEU A 8 36.261 28.538 26.277 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.284 28.301 25.114 1.00 0.00 C ATOM 135 CD2 LEU A 8 37.339 29.547 25.886 1.00 0.00 C ATOM 0 H LEU A 8 34.236 30.013 25.881 1.00 0.00 H new ATOM 0 HA LEU A 8 33.884 29.684 28.614 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.384 28.857 28.368 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.020 27.880 27.864 1.00 0.00 H new ATOM 0 HG LEU A 8 36.784 27.599 26.459 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.846 28.136 24.195 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.671 27.425 25.326 1.00 0.00 H new ATOM 0 HD13 LEU A 8 34.641 29.173 24.995 1.00 0.00 H new ATOM 0 HD21 LEU A 8 37.751 29.280 24.913 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.902 30.544 25.834 1.00 0.00 H new ATOM 0 HD23 LEU A 8 38.134 29.537 26.632 1.00 0.00 H new ATOM 147 N THR A 9 35.551 32.179 27.743 1.00 0.00 N ATOM 148 CA THR A 9 35.972 33.467 28.258 1.00 0.00 C ATOM 149 C THR A 9 34.882 34.317 28.913 1.00 0.00 C ATOM 150 O THR A 9 35.227 35.423 29.341 1.00 0.00 O ATOM 151 CB THR A 9 36.481 34.174 27.012 1.00 0.00 C ATOM 152 OG1 THR A 9 35.600 34.114 25.911 1.00 0.00 O ATOM 153 CG2 THR A 9 37.805 33.540 26.554 1.00 0.00 C ATOM 0 H THR A 9 35.336 32.182 26.746 1.00 0.00 H new ATOM 0 HA THR A 9 36.693 33.324 29.063 1.00 0.00 H new ATOM 0 HB THR A 9 36.592 35.218 27.305 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.994 34.590 25.151 1.00 0.00 H new ATOM 0 HG21 THR A 9 38.164 34.052 25.661 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.546 33.633 27.348 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.645 32.486 26.328 1.00 0.00 H new ATOM 161 N GLY A 10 33.638 33.866 28.965 1.00 0.00 N ATOM 162 CA GLY A 10 32.523 34.439 29.692 1.00 0.00 C ATOM 163 C GLY A 10 31.477 35.027 28.746 1.00 0.00 C ATOM 164 O GLY A 10 30.363 35.225 29.221 1.00 0.00 O ATOM 0 H GLY A 10 33.364 33.024 28.459 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.061 33.672 30.314 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.887 35.218 30.362 1.00 0.00 H new ATOM 168 N LYS A 11 31.723 35.312 27.463 1.00 0.00 N ATOM 169 CA LYS A 11 30.883 35.979 26.494 1.00 0.00 C ATOM 170 C LYS A 11 29.626 35.221 26.064 1.00 0.00 C ATOM 171 O LYS A 11 29.746 34.019 25.845 1.00 0.00 O ATOM 172 CB LYS A 11 31.719 36.420 25.292 1.00 0.00 C ATOM 173 CG LYS A 11 31.057 36.386 23.915 1.00 0.00 C ATOM 174 CD LYS A 11 32.104 36.777 22.868 1.00 0.00 C ATOM 175 CE LYS A 11 32.601 38.218 22.740 1.00 0.00 C ATOM 176 NZ LYS A 11 33.604 38.326 21.666 1.00 0.00 N ATOM 0 H LYS A 11 32.615 35.047 27.045 1.00 0.00 H new ATOM 0 HA LYS A 11 30.484 36.851 27.012 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.059 37.439 25.476 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.608 35.790 25.252 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.665 35.390 23.707 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.212 37.074 23.883 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.980 36.154 23.047 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.703 36.492 21.896 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.762 38.881 22.529 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.035 38.544 23.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.483 39.231 21.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.558 38.281 22.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.479 37.542 20.994 1.00 0.00 H new ATOM 190 N THR A 12 28.474 35.869 25.966 1.00 0.00 N ATOM 191 CA THR A 12 27.259 35.255 25.462 1.00 0.00 C ATOM 192 C THR A 12 26.984 35.996 24.157 1.00 0.00 C ATOM 193 O THR A 12 27.312 37.137 23.828 1.00 0.00 O ATOM 194 CB THR A 12 26.154 35.407 26.517 1.00 0.00 C ATOM 195 OG1 THR A 12 26.601 35.118 27.826 1.00 0.00 O ATOM 196 CG2 THR A 12 24.836 34.667 26.267 1.00 0.00 C ATOM 0 H THR A 12 28.358 36.845 26.237 1.00 0.00 H new ATOM 0 HA THR A 12 27.326 34.184 25.272 1.00 0.00 H new ATOM 0 HB THR A 12 25.917 36.466 26.415 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.860 35.232 28.457 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.147 34.862 27.089 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.395 35.015 25.333 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.027 33.596 26.200 1.00 0.00 H new ATOM 204 N ILE A 13 26.401 35.170 23.296 1.00 0.00 N ATOM 205 CA ILE A 13 25.954 35.509 21.955 1.00 0.00 C ATOM 206 C ILE A 13 24.491 35.097 21.768 1.00 0.00 C ATOM 207 O ILE A 13 24.169 33.943 22.047 1.00 0.00 O ATOM 208 CB ILE A 13 26.950 35.073 20.878 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.292 33.589 20.894 1.00 0.00 C ATOM 210 CG2 ILE A 13 28.311 35.775 20.913 1.00 0.00 C ATOM 211 CD1 ILE A 13 27.889 33.006 19.608 1.00 0.00 C ATOM 0 H ILE A 13 26.219 34.194 23.530 1.00 0.00 H new ATOM 0 HA ILE A 13 25.950 36.591 21.822 1.00 0.00 H new ATOM 0 HB ILE A 13 26.390 35.353 19.986 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.996 33.411 21.707 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.385 33.033 21.130 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.939 35.392 20.108 1.00 0.00 H new ATOM 0 HG22 ILE A 13 28.170 36.848 20.784 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.794 35.585 21.872 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.088 31.943 19.748 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.184 33.138 18.787 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.820 33.521 19.373 1.00 0.00 H new ATOM 223 N THR A 14 23.622 36.077 21.580 1.00 0.00 N ATOM 224 CA THR A 14 22.198 35.990 21.324 1.00 0.00 C ATOM 225 C THR A 14 22.164 35.794 19.805 1.00 0.00 C ATOM 226 O THR A 14 22.425 36.732 19.061 1.00 0.00 O ATOM 227 CB THR A 14 21.479 37.262 21.745 1.00 0.00 C ATOM 228 OG1 THR A 14 21.994 38.375 21.040 1.00 0.00 O ATOM 229 CG2 THR A 14 21.679 37.532 23.232 1.00 0.00 C ATOM 0 H THR A 14 23.930 37.049 21.606 1.00 0.00 H new ATOM 0 HA THR A 14 21.695 35.198 21.879 1.00 0.00 H new ATOM 0 HB THR A 14 20.420 37.123 21.526 1.00 0.00 H new ATOM 0 HG1 THR A 14 22.472 38.065 20.243 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.155 38.447 23.509 1.00 0.00 H new ATOM 0 HG22 THR A 14 21.282 36.697 23.810 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.743 37.645 23.441 1.00 0.00 H new ATOM 237 N LEU A 15 21.803 34.569 19.397 1.00 0.00 N ATOM 238 CA LEU A 15 21.514 34.268 18.012 1.00 0.00 C ATOM 239 C LEU A 15 20.313 33.336 17.887 1.00 0.00 C ATOM 240 O LEU A 15 20.035 32.475 18.719 1.00 0.00 O ATOM 241 CB LEU A 15 22.749 33.725 17.284 1.00 0.00 C ATOM 242 CG LEU A 15 23.229 32.383 17.825 1.00 0.00 C ATOM 243 CD1 LEU A 15 22.920 31.190 16.925 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.744 32.329 18.054 1.00 0.00 C ATOM 0 H LEU A 15 21.707 33.771 20.025 1.00 0.00 H new ATOM 0 HA LEU A 15 21.245 35.202 17.518 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.520 33.620 16.224 1.00 0.00 H new ATOM 0 HB3 LEU A 15 23.558 34.451 17.365 1.00 0.00 H new ATOM 0 HG LEU A 15 22.675 32.309 18.761 1.00 0.00 H new ATOM 0 HD11 LEU A 15 23.297 30.278 17.388 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.842 31.108 16.787 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.400 31.331 15.957 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.019 31.347 18.439 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.261 32.507 17.111 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.031 33.095 18.775 1.00 0.00 H new ATOM 256 N GLU A 16 19.687 33.452 16.723 1.00 0.00 N ATOM 257 CA GLU A 16 18.546 32.698 16.259 1.00 0.00 C ATOM 258 C GLU A 16 18.946 31.359 15.627 1.00 0.00 C ATOM 259 O GLU A 16 19.713 31.387 14.662 1.00 0.00 O ATOM 260 CB GLU A 16 17.950 33.562 15.151 1.00 0.00 C ATOM 261 CG GLU A 16 16.492 33.273 14.798 1.00 0.00 C ATOM 262 CD GLU A 16 15.487 33.530 15.917 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.841 34.166 16.931 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.299 33.238 15.671 1.00 0.00 O ATOM 0 H GLU A 16 19.995 34.133 16.028 1.00 0.00 H new ATOM 0 HA GLU A 16 17.875 32.479 17.089 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.033 34.608 15.447 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.554 33.436 14.252 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.216 33.882 13.937 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.410 32.231 14.490 1.00 0.00 H new ATOM 271 N VAL A 17 18.280 30.265 15.976 1.00 0.00 N ATOM 272 CA VAL A 17 18.400 28.994 15.274 1.00 0.00 C ATOM 273 C VAL A 17 16.958 28.695 14.873 1.00 0.00 C ATOM 274 O VAL A 17 16.105 29.572 14.773 1.00 0.00 O ATOM 275 CB VAL A 17 19.100 27.998 16.193 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.528 28.329 16.651 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.249 27.671 17.421 1.00 0.00 C ATOM 0 H VAL A 17 17.633 30.236 16.764 1.00 0.00 H new ATOM 0 HA VAL A 17 19.020 28.968 14.378 1.00 0.00 H new ATOM 0 HB VAL A 17 19.213 27.136 15.536 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.896 27.533 17.298 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.178 28.419 15.780 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.525 29.270 17.200 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.780 26.959 18.052 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.058 28.584 17.985 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.301 27.237 17.102 1.00 0.00 H new ATOM 287 N GLU A 18 16.716 27.388 14.732 1.00 0.00 N ATOM 288 CA GLU A 18 15.513 26.768 14.231 1.00 0.00 C ATOM 289 C GLU A 18 15.413 25.401 14.908 1.00 0.00 C ATOM 290 O GLU A 18 16.441 24.894 15.354 1.00 0.00 O ATOM 291 CB GLU A 18 15.594 26.707 12.707 1.00 0.00 C ATOM 292 CG GLU A 18 14.763 27.762 11.971 1.00 0.00 C ATOM 293 CD GLU A 18 15.077 27.731 10.483 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.337 26.956 9.830 1.00 0.00 O ATOM 295 OE2 GLU A 18 15.846 28.620 10.060 1.00 0.00 O ATOM 0 H GLU A 18 17.418 26.694 14.988 1.00 0.00 H new ATOM 0 HA GLU A 18 14.605 27.326 14.461 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.637 26.815 12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.270 25.719 12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.701 27.576 12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.977 28.751 12.375 1.00 0.00 H new ATOM 302 N PRO A 19 14.286 24.700 15.034 1.00 0.00 N ATOM 303 CA PRO A 19 14.165 23.364 15.572 1.00 0.00 C ATOM 304 C PRO A 19 14.813 22.251 14.750 1.00 0.00 C ATOM 305 O PRO A 19 15.321 21.305 15.343 1.00 0.00 O ATOM 306 CB PRO A 19 12.680 23.142 15.870 1.00 0.00 C ATOM 307 CG PRO A 19 11.986 24.336 15.217 1.00 0.00 C ATOM 308 CD PRO A 19 13.023 25.355 14.754 1.00 0.00 C ATOM 0 HA PRO A 19 14.755 23.299 16.486 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.327 22.199 15.453 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.489 23.108 16.943 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.390 24.001 14.368 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.300 24.800 15.925 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.916 25.584 13.694 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.930 26.297 15.295 1.00 0.00 H new ATOM 316 N SER A 20 14.838 22.361 13.426 1.00 0.00 N ATOM 317 CA SER A 20 15.246 21.382 12.440 1.00 0.00 C ATOM 318 C SER A 20 16.685 21.622 11.945 1.00 0.00 C ATOM 319 O SER A 20 17.060 20.827 11.092 1.00 0.00 O ATOM 320 CB SER A 20 14.268 21.240 11.275 1.00 0.00 C ATOM 321 OG SER A 20 13.696 22.490 10.981 1.00 0.00 O ATOM 0 H SER A 20 14.542 23.228 12.978 1.00 0.00 H new ATOM 0 HA SER A 20 15.230 20.425 12.962 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.786 20.851 10.398 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.487 20.523 11.528 1.00 0.00 H new ATOM 0 HG SER A 20 13.071 22.396 10.232 1.00 0.00 H new ATOM 327 N ASP A 21 17.443 22.581 12.465 1.00 0.00 N ATOM 328 CA ASP A 21 18.790 22.823 11.989 1.00 0.00 C ATOM 329 C ASP A 21 19.781 21.858 12.649 1.00 0.00 C ATOM 330 O ASP A 21 19.632 21.477 13.803 1.00 0.00 O ATOM 331 CB ASP A 21 19.319 24.222 12.292 1.00 0.00 C ATOM 332 CG ASP A 21 18.971 25.249 11.222 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.879 25.207 10.604 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.691 26.265 11.176 1.00 0.00 O ATOM 0 H ASP A 21 17.143 23.201 13.217 1.00 0.00 H new ATOM 0 HA ASP A 21 18.718 22.688 10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.916 24.555 13.248 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.403 24.176 12.401 1.00 0.00 H new ATOM 339 N THR A 22 20.795 21.478 11.864 1.00 0.00 N ATOM 340 CA THR A 22 21.991 20.758 12.252 1.00 0.00 C ATOM 341 C THR A 22 23.069 21.717 12.758 1.00 0.00 C ATOM 342 O THR A 22 23.025 22.913 12.440 1.00 0.00 O ATOM 343 CB THR A 22 22.577 20.090 11.006 1.00 0.00 C ATOM 344 OG1 THR A 22 22.816 20.955 9.918 1.00 0.00 O ATOM 345 CG2 THR A 22 21.903 18.857 10.418 1.00 0.00 C ATOM 0 H THR A 22 20.791 21.687 10.866 1.00 0.00 H new ATOM 0 HA THR A 22 21.719 20.045 13.030 1.00 0.00 H new ATOM 0 HB THR A 22 23.496 19.753 11.487 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.334 20.483 9.233 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.457 18.523 9.541 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.888 18.061 11.162 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.881 19.104 10.130 1.00 0.00 H new ATOM 353 N ILE A 23 24.021 21.104 13.455 1.00 0.00 N ATOM 354 CA ILE A 23 25.177 21.747 14.027 1.00 0.00 C ATOM 355 C ILE A 23 26.017 22.585 13.066 1.00 0.00 C ATOM 356 O ILE A 23 26.369 23.723 13.371 1.00 0.00 O ATOM 357 CB ILE A 23 25.862 20.699 14.902 1.00 0.00 C ATOM 358 CG1 ILE A 23 25.016 20.210 16.082 1.00 0.00 C ATOM 359 CG2 ILE A 23 27.222 21.210 15.372 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.542 18.924 16.716 1.00 0.00 C ATOM 0 H ILE A 23 23.997 20.101 13.639 1.00 0.00 H new ATOM 0 HA ILE A 23 24.897 22.579 14.673 1.00 0.00 H new ATOM 0 HB ILE A 23 26.000 19.822 14.270 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.979 20.991 16.841 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.993 20.047 15.743 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.700 20.454 15.995 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.851 21.418 14.507 1.00 0.00 H new ATOM 0 HG23 ILE A 23 27.087 22.124 15.951 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.895 18.636 17.545 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.553 18.129 15.971 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.554 19.088 17.086 1.00 0.00 H new ATOM 372 N GLU A 24 26.341 22.170 11.845 1.00 0.00 N ATOM 373 CA GLU A 24 26.899 22.861 10.693 1.00 0.00 C ATOM 374 C GLU A 24 26.188 24.162 10.312 1.00 0.00 C ATOM 375 O GLU A 24 26.857 25.164 10.090 1.00 0.00 O ATOM 376 CB GLU A 24 26.911 21.917 9.486 1.00 0.00 C ATOM 377 CG GLU A 24 27.697 22.315 8.241 1.00 0.00 C ATOM 378 CD GLU A 24 29.158 22.696 8.439 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.812 22.058 9.279 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.621 23.467 7.562 1.00 0.00 O ATOM 0 H GLU A 24 26.193 21.188 11.611 1.00 0.00 H new ATOM 0 HA GLU A 24 27.908 23.151 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.297 20.955 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.876 21.757 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.656 21.486 7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.187 23.158 7.773 1.00 0.00 H new ATOM 387 N ASN A 25 24.878 24.258 10.442 1.00 0.00 N ATOM 388 CA ASN A 25 24.068 25.443 10.194 1.00 0.00 C ATOM 389 C ASN A 25 24.019 26.424 11.360 1.00 0.00 C ATOM 390 O ASN A 25 23.517 27.529 11.178 1.00 0.00 O ATOM 391 CB ASN A 25 22.654 25.014 9.781 1.00 0.00 C ATOM 392 CG ASN A 25 22.087 25.946 8.721 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.730 26.039 7.672 1.00 0.00 O ATOM 394 ND2 ASN A 25 20.960 26.586 8.990 1.00 0.00 N ATOM 0 H ASN A 25 24.313 23.463 10.742 1.00 0.00 H new ATOM 0 HA ASN A 25 24.552 25.990 9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.677 23.994 9.398 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.002 25.012 10.654 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.555 27.218 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.496 26.447 9.888 1.00 0.00 H new ATOM 401 N VAL A 26 24.489 26.012 12.533 1.00 0.00 N ATOM 402 CA VAL A 26 24.622 26.844 13.716 1.00 0.00 C ATOM 403 C VAL A 26 26.056 27.350 13.884 1.00 0.00 C ATOM 404 O VAL A 26 26.302 28.500 14.245 1.00 0.00 O ATOM 405 CB VAL A 26 24.165 26.080 14.965 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.427 26.900 16.221 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.778 25.430 15.006 1.00 0.00 C ATOM 0 H VAL A 26 24.798 25.052 12.688 1.00 0.00 H new ATOM 0 HA VAL A 26 23.978 27.714 13.587 1.00 0.00 H new ATOM 0 HB VAL A 26 24.796 25.193 14.911 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.096 26.341 17.096 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.494 27.107 16.305 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.879 27.840 16.163 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.635 24.937 15.968 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.013 26.195 14.874 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.697 24.694 14.206 1.00 0.00 H new ATOM 417 N LYS A 27 27.054 26.509 13.638 1.00 0.00 N ATOM 418 CA LYS A 27 28.484 26.771 13.604 1.00 0.00 C ATOM 419 C LYS A 27 28.770 27.930 12.646 1.00 0.00 C ATOM 420 O LYS A 27 29.537 28.822 13.005 1.00 0.00 O ATOM 421 CB LYS A 27 29.240 25.527 13.120 1.00 0.00 C ATOM 422 CG LYS A 27 29.768 24.630 14.242 1.00 0.00 C ATOM 423 CD LYS A 27 30.171 23.259 13.694 1.00 0.00 C ATOM 424 CE LYS A 27 30.740 22.092 14.511 1.00 0.00 C ATOM 425 NZ LYS A 27 31.092 20.846 13.804 1.00 0.00 N ATOM 0 H LYS A 27 26.859 25.528 13.437 1.00 0.00 H new ATOM 0 HA LYS A 27 28.817 27.027 14.610 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.578 24.940 12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.079 25.845 12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.626 25.103 14.719 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.003 24.510 15.009 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.282 22.867 13.201 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.906 23.458 12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.635 22.449 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.012 21.841 15.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.462 20.153 14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.245 20.459 13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.818 21.047 13.087 1.00 0.00 H new ATOM 439 N ALA A 28 28.152 27.910 11.475 1.00 0.00 N ATOM 440 CA ALA A 28 28.340 28.853 10.394 1.00 0.00 C ATOM 441 C ALA A 28 28.028 30.286 10.830 1.00 0.00 C ATOM 442 O ALA A 28 28.668 31.293 10.538 1.00 0.00 O ATOM 443 CB ALA A 28 27.430 28.417 9.251 1.00 0.00 C ATOM 0 H ALA A 28 27.466 27.191 11.245 1.00 0.00 H new ATOM 0 HA ALA A 28 29.383 28.854 10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.543 29.105 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 28 27.702 27.411 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.394 28.423 9.588 1.00 0.00 H new ATOM 449 N LYS A 29 26.936 30.424 11.579 1.00 0.00 N ATOM 450 CA LYS A 29 26.349 31.582 12.219 1.00 0.00 C ATOM 451 C LYS A 29 27.286 32.237 13.232 1.00 0.00 C ATOM 452 O LYS A 29 27.384 33.454 13.288 1.00 0.00 O ATOM 453 CB LYS A 29 24.970 31.257 12.823 1.00 0.00 C ATOM 454 CG LYS A 29 23.931 31.026 11.728 1.00 0.00 C ATOM 455 CD LYS A 29 22.637 30.702 12.476 1.00 0.00 C ATOM 456 CE LYS A 29 21.386 30.611 11.594 1.00 0.00 C ATOM 457 NZ LYS A 29 20.251 30.078 12.364 1.00 0.00 N ATOM 0 H LYS A 29 26.367 29.600 11.773 1.00 0.00 H new ATOM 0 HA LYS A 29 26.191 32.325 11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.045 30.369 13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.649 32.076 13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.814 31.910 11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.224 30.206 11.072 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.765 29.754 12.999 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.473 31.466 13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.137 31.597 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.585 29.969 10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.364 30.286 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.356 29.049 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.230 30.522 13.304 1.00 0.00 H new ATOM 471 N ILE A 30 27.935 31.415 14.053 1.00 0.00 N ATOM 472 CA ILE A 30 28.870 31.827 15.079 1.00 0.00 C ATOM 473 C ILE A 30 30.163 32.106 14.311 1.00 0.00 C ATOM 474 O ILE A 30 30.817 33.070 14.713 1.00 0.00 O ATOM 475 CB ILE A 30 29.100 30.738 16.142 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.844 30.127 16.760 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.262 30.892 17.115 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.738 28.656 17.170 1.00 0.00 C ATOM 0 H ILE A 30 27.814 30.403 14.014 1.00 0.00 H new ATOM 0 HA ILE A 30 28.498 32.689 15.633 1.00 0.00 H new ATOM 0 HB ILE A 30 29.494 29.969 15.478 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.625 30.712 17.653 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.034 30.309 16.054 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.282 30.041 17.796 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.199 30.934 16.559 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.138 31.811 17.687 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.748 28.464 17.584 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.895 28.023 16.297 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.495 28.432 17.921 1.00 0.00 H new ATOM 490 N GLN A 31 30.583 31.393 13.282 1.00 0.00 N ATOM 491 CA GLN A 31 31.820 31.737 12.602 1.00 0.00 C ATOM 492 C GLN A 31 31.755 33.098 11.895 1.00 0.00 C ATOM 493 O GLN A 31 32.716 33.857 11.964 1.00 0.00 O ATOM 494 CB GLN A 31 32.184 30.703 11.524 1.00 0.00 C ATOM 495 CG GLN A 31 32.692 29.423 12.174 1.00 0.00 C ATOM 496 CD GLN A 31 33.062 28.442 11.076 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.977 28.557 10.269 1.00 0.00 O ATOM 498 NE2 GLN A 31 32.262 27.373 11.082 1.00 0.00 N ATOM 0 H GLN A 31 30.094 30.582 12.902 1.00 0.00 H new ATOM 0 HA GLN A 31 32.569 31.763 13.393 1.00 0.00 H new ATOM 0 HB2 GLN A 31 31.311 30.485 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 31 32.947 31.111 10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.558 29.634 12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 31 31.926 28.996 12.821 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.508 27.304 11.766 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.405 26.625 10.403 1.00 0.00 H new ATOM 507 N ASP A 32 30.610 33.400 11.290 1.00 0.00 N ATOM 508 CA ASP A 32 30.274 34.694 10.723 1.00 0.00 C ATOM 509 C ASP A 32 30.287 35.859 11.716 1.00 0.00 C ATOM 510 O ASP A 32 30.600 36.922 11.199 1.00 0.00 O ATOM 511 CB ASP A 32 28.911 34.451 10.083 1.00 0.00 C ATOM 512 CG ASP A 32 28.526 35.500 9.045 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.288 35.771 8.095 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.506 36.204 9.267 1.00 0.00 O ATOM 0 H ASP A 32 29.861 32.717 11.179 1.00 0.00 H new ATOM 0 HA ASP A 32 31.027 35.027 10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.911 33.468 9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.151 34.430 10.864 1.00 0.00 H new ATOM 519 N LYS A 33 30.073 35.682 13.016 1.00 0.00 N ATOM 520 CA LYS A 33 29.731 36.789 13.892 1.00 0.00 C ATOM 521 C LYS A 33 30.824 37.032 14.929 1.00 0.00 C ATOM 522 O LYS A 33 31.129 38.184 15.222 1.00 0.00 O ATOM 523 CB LYS A 33 28.386 36.535 14.565 1.00 0.00 C ATOM 524 CG LYS A 33 27.137 36.669 13.700 1.00 0.00 C ATOM 525 CD LYS A 33 25.858 36.253 14.433 1.00 0.00 C ATOM 526 CE LYS A 33 24.664 36.821 13.678 1.00 0.00 C ATOM 527 NZ LYS A 33 24.422 36.093 12.425 1.00 0.00 N ATOM 0 H LYS A 33 30.132 34.778 13.484 1.00 0.00 H new ATOM 0 HA LYS A 33 29.649 37.691 13.285 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.402 35.528 14.982 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.292 37.225 15.403 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.040 37.703 13.368 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.253 36.057 12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 33 25.789 35.167 14.489 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.870 36.625 15.458 1.00 0.00 H new ATOM 0 HE2 LYS A 33 23.776 36.768 14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.838 37.875 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.602 36.506 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.261 36.164 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.231 35.093 12.636 1.00 0.00 H new ATOM 541 N GLU A 34 31.570 35.997 15.304 1.00 0.00 N ATOM 542 CA GLU A 34 32.616 35.976 16.302 1.00 0.00 C ATOM 543 C GLU A 34 33.959 35.430 15.807 1.00 0.00 C ATOM 544 O GLU A 34 34.966 35.680 16.462 1.00 0.00 O ATOM 545 CB GLU A 34 32.161 35.191 17.532 1.00 0.00 C ATOM 546 CG GLU A 34 31.169 35.949 18.419 1.00 0.00 C ATOM 547 CD GLU A 34 31.809 37.122 19.154 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.043 37.207 19.291 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.998 37.899 19.715 1.00 0.00 O ATOM 0 H GLU A 34 31.442 35.079 14.878 1.00 0.00 H new ATOM 0 HA GLU A 34 32.792 37.021 16.557 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.702 34.257 17.206 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.036 34.926 18.126 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.347 36.316 17.805 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.740 35.260 19.147 1.00 0.00 H new ATOM 556 N GLY A 35 34.015 34.682 14.710 1.00 0.00 N ATOM 557 CA GLY A 35 35.274 34.169 14.203 1.00 0.00 C ATOM 558 C GLY A 35 35.704 32.828 14.815 1.00 0.00 C ATOM 559 O GLY A 35 36.901 32.547 14.711 1.00 0.00 O ATOM 0 H GLY A 35 33.199 34.419 14.157 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.196 34.053 13.122 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.055 34.907 14.389 1.00 0.00 H new ATOM 563 N ILE A 36 34.874 32.037 15.478 1.00 0.00 N ATOM 564 CA ILE A 36 35.297 30.964 16.351 1.00 0.00 C ATOM 565 C ILE A 36 35.482 29.682 15.532 1.00 0.00 C ATOM 566 O ILE A 36 34.495 29.284 14.925 1.00 0.00 O ATOM 567 CB ILE A 36 34.340 30.916 17.549 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.590 32.158 18.393 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.461 29.601 18.321 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.728 32.287 19.652 1.00 0.00 C ATOM 0 H ILE A 36 33.860 32.130 15.419 1.00 0.00 H new ATOM 0 HA ILE A 36 36.281 31.120 16.793 1.00 0.00 H new ATOM 0 HB ILE A 36 33.302 30.931 17.216 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.639 32.169 18.690 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.426 33.038 17.770 1.00 0.00 H new ATOM 0 HG21 ILE A 36 33.767 29.607 19.161 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.223 28.768 17.660 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.480 29.490 18.693 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.987 33.206 20.178 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.675 32.315 19.371 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.907 31.432 20.305 1.00 0.00 H new ATOM 582 N PRO A 37 36.689 29.126 15.621 1.00 0.00 N ATOM 583 CA PRO A 37 37.072 27.950 14.859 1.00 0.00 C ATOM 584 C PRO A 37 36.407 26.695 15.406 1.00 0.00 C ATOM 585 O PRO A 37 36.411 26.380 16.596 1.00 0.00 O ATOM 586 CB PRO A 37 38.592 27.811 14.966 1.00 0.00 C ATOM 587 CG PRO A 37 39.037 28.695 16.132 1.00 0.00 C ATOM 588 CD PRO A 37 37.841 29.623 16.338 1.00 0.00 C ATOM 0 HA PRO A 37 36.754 28.065 13.823 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.874 26.772 15.139 1.00 0.00 H new ATOM 0 HB3 PRO A 37 39.075 28.122 14.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.250 28.107 17.025 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.943 29.252 15.893 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.611 29.700 17.401 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.088 30.627 15.992 1.00 0.00 H new ATOM 596 N PRO A 38 35.745 25.946 14.524 1.00 0.00 N ATOM 597 CA PRO A 38 34.692 25.029 14.898 1.00 0.00 C ATOM 598 C PRO A 38 35.170 23.661 15.398 1.00 0.00 C ATOM 599 O PRO A 38 34.456 22.968 16.110 1.00 0.00 O ATOM 600 CB PRO A 38 33.782 24.915 13.678 1.00 0.00 C ATOM 601 CG PRO A 38 34.757 25.131 12.513 1.00 0.00 C ATOM 602 CD PRO A 38 35.745 26.142 13.089 1.00 0.00 C ATOM 0 HA PRO A 38 34.165 25.424 15.767 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.296 23.941 13.624 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.992 25.666 13.690 1.00 0.00 H new ATOM 0 HG2 PRO A 38 35.250 24.204 12.220 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.252 25.517 11.628 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.742 25.988 12.677 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.449 27.160 12.837 1.00 0.00 H new ATOM 610 N ASP A 39 36.410 23.269 15.102 1.00 0.00 N ATOM 611 CA ASP A 39 36.988 22.029 15.583 1.00 0.00 C ATOM 612 C ASP A 39 37.247 22.097 17.087 1.00 0.00 C ATOM 613 O ASP A 39 37.163 21.036 17.691 1.00 0.00 O ATOM 614 CB ASP A 39 38.208 21.629 14.745 1.00 0.00 C ATOM 615 CG ASP A 39 39.378 22.593 14.770 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.211 23.786 14.421 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.423 22.177 15.321 1.00 0.00 O ATOM 0 H ASP A 39 37.042 23.814 14.515 1.00 0.00 H new ATOM 0 HA ASP A 39 36.270 21.220 15.448 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.557 20.656 15.090 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.888 21.504 13.711 1.00 0.00 H new ATOM 622 N GLN A 40 37.484 23.300 17.589 1.00 0.00 N ATOM 623 CA GLN A 40 38.050 23.654 18.876 1.00 0.00 C ATOM 624 C GLN A 40 36.902 23.682 19.891 1.00 0.00 C ATOM 625 O GLN A 40 37.083 24.113 21.030 1.00 0.00 O ATOM 626 CB GLN A 40 38.651 25.052 18.702 1.00 0.00 C ATOM 627 CG GLN A 40 39.982 25.270 19.416 1.00 0.00 C ATOM 628 CD GLN A 40 41.222 24.616 18.835 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.302 24.927 19.322 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.102 23.753 17.831 1.00 0.00 N ATOM 0 H GLN A 40 37.261 24.135 17.047 1.00 0.00 H new ATOM 0 HA GLN A 40 38.811 22.954 19.221 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.790 25.242 17.638 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.934 25.788 19.066 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.163 26.344 19.463 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.871 24.920 20.442 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.179 23.527 17.460 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.933 23.317 17.431 1.00 0.00 H new ATOM 639 N GLN A 41 35.723 23.220 19.506 1.00 0.00 N ATOM 640 CA GLN A 41 34.489 23.352 20.262 1.00 0.00 C ATOM 641 C GLN A 41 34.059 21.983 20.776 1.00 0.00 C ATOM 642 O GLN A 41 34.169 20.947 20.119 1.00 0.00 O ATOM 643 CB GLN A 41 33.296 23.906 19.476 1.00 0.00 C ATOM 644 CG GLN A 41 33.527 25.340 19.015 1.00 0.00 C ATOM 645 CD GLN A 41 32.406 25.855 18.124 1.00 0.00 C ATOM 646 OE1 GLN A 41 32.736 26.873 17.519 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.254 25.224 17.975 1.00 0.00 N ATOM 0 H GLN A 41 35.595 22.724 18.624 1.00 0.00 H new ATOM 0 HA GLN A 41 34.729 24.064 21.052 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.109 23.273 18.609 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.402 23.866 20.099 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.620 25.988 19.887 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.471 25.396 18.474 1.00 0.00 H new ATOM 0 HE21 GLN A 41 31.059 24.383 18.518 1.00 0.00 H new ATOM 0 HE22 GLN A 41 30.560 25.578 17.317 1.00 0.00 H new ATOM 656 N ARG A 42 33.529 22.008 21.994 1.00 0.00 N ATOM 657 CA ARG A 42 32.714 21.035 22.685 1.00 0.00 C ATOM 658 C ARG A 42 31.433 21.700 23.194 1.00 0.00 C ATOM 659 O ARG A 42 31.561 22.592 24.035 1.00 0.00 O ATOM 660 CB ARG A 42 33.602 20.348 23.717 1.00 0.00 C ATOM 661 CG ARG A 42 33.010 19.331 24.690 1.00 0.00 C ATOM 662 CD ARG A 42 34.146 18.542 25.342 1.00 0.00 C ATOM 663 NE ARG A 42 33.656 17.699 26.441 1.00 0.00 N ATOM 664 CZ ARG A 42 33.913 16.394 26.628 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.617 15.725 25.710 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.512 15.774 27.744 1.00 0.00 N ATOM 0 H ARG A 42 33.686 22.820 22.590 1.00 0.00 H new ATOM 0 HA ARG A 42 32.339 20.239 22.042 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.401 19.845 23.171 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.068 21.132 24.314 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.420 19.839 25.452 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.336 18.655 24.163 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.633 17.918 24.593 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.900 19.233 25.720 1.00 0.00 H new ATOM 0 HE ARG A 42 33.059 18.151 27.133 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.954 16.206 24.876 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.817 14.734 25.843 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.006 16.293 28.462 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.712 14.783 27.877 1.00 0.00 H new ATOM 680 N LEU A 43 30.226 21.263 22.843 1.00 0.00 N ATOM 681 CA LEU A 43 28.930 21.880 23.030 1.00 0.00 C ATOM 682 C LEU A 43 28.185 21.051 24.076 1.00 0.00 C ATOM 683 O LEU A 43 28.034 19.841 23.955 1.00 0.00 O ATOM 684 CB LEU A 43 28.209 21.870 21.679 1.00 0.00 C ATOM 685 CG LEU A 43 28.648 22.881 20.628 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.010 22.487 19.293 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.245 24.285 21.082 1.00 0.00 C ATOM 0 H LEU A 43 30.130 20.366 22.367 1.00 0.00 H new ATOM 0 HA LEU A 43 28.997 22.911 23.376 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.317 20.874 21.250 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.146 22.023 21.866 1.00 0.00 H new ATOM 0 HG LEU A 43 29.730 22.885 20.499 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.310 23.197 18.523 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.341 21.487 19.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.925 22.496 19.392 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.557 25.013 20.333 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.163 24.331 21.204 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.728 24.513 22.032 1.00 0.00 H new ATOM 699 N ILE A 44 27.918 21.699 25.205 1.00 0.00 N ATOM 700 CA ILE A 44 27.254 21.187 26.389 1.00 0.00 C ATOM 701 C ILE A 44 25.767 21.517 26.492 1.00 0.00 C ATOM 702 O ILE A 44 25.385 22.675 26.318 1.00 0.00 O ATOM 703 CB ILE A 44 28.048 21.540 27.638 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.504 21.059 27.623 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.285 21.260 28.928 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.725 19.582 27.268 1.00 0.00 C ATOM 0 H ILE A 44 28.184 22.677 25.320 1.00 0.00 H new ATOM 0 HA ILE A 44 27.247 20.101 26.291 1.00 0.00 H new ATOM 0 HB ILE A 44 28.156 22.624 27.615 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.059 21.670 26.911 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.936 21.244 28.606 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.904 21.532 29.783 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.367 21.848 28.943 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.038 20.200 28.982 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.792 19.358 27.289 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.208 18.952 27.992 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.333 19.385 26.270 1.00 0.00 H new ATOM 718 N PHE A 45 24.794 20.647 26.731 1.00 0.00 N ATOM 719 CA PHE A 45 23.406 20.948 27.055 1.00 0.00 C ATOM 720 C PHE A 45 22.865 19.942 28.071 1.00 0.00 C ATOM 721 O PHE A 45 23.175 18.761 27.939 1.00 0.00 O ATOM 722 CB PHE A 45 22.579 21.198 25.797 1.00 0.00 C ATOM 723 CG PHE A 45 21.169 21.670 26.092 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.957 22.946 26.627 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.072 20.844 25.826 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.638 23.339 26.884 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.755 21.325 25.897 1.00 0.00 C ATOM 728 CZ PHE A 45 18.542 22.583 26.463 1.00 0.00 C ATOM 0 H PHE A 45 24.967 19.642 26.701 1.00 0.00 H new ATOM 0 HA PHE A 45 23.328 21.903 27.575 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.083 21.943 25.181 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.533 20.279 25.212 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.785 23.607 26.835 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.242 19.811 25.560 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.462 24.257 27.426 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.929 20.738 25.524 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.539 22.968 26.574 1.00 0.00 H new ATOM 738 N ALA A 46 22.282 20.476 29.144 1.00 0.00 N ATOM 739 CA ALA A 46 21.444 19.764 30.083 1.00 0.00 C ATOM 740 C ALA A 46 21.986 18.472 30.701 1.00 0.00 C ATOM 741 O ALA A 46 21.255 17.479 30.805 1.00 0.00 O ATOM 742 CB ALA A 46 20.059 19.641 29.447 1.00 0.00 C ATOM 0 H ALA A 46 22.392 21.461 29.385 1.00 0.00 H new ATOM 0 HA ALA A 46 21.406 20.359 30.995 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.393 19.108 30.126 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.658 20.636 29.253 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.137 19.092 28.509 1.00 0.00 H new ATOM 748 N GLY A 47 23.276 18.475 31.007 1.00 0.00 N ATOM 749 CA GLY A 47 23.900 17.503 31.886 1.00 0.00 C ATOM 750 C GLY A 47 25.083 16.753 31.282 1.00 0.00 C ATOM 751 O GLY A 47 25.603 15.886 31.980 1.00 0.00 O ATOM 0 H GLY A 47 23.929 19.168 30.642 1.00 0.00 H new ATOM 0 HA2 GLY A 47 24.236 18.014 32.788 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.147 16.777 32.193 1.00 0.00 H new ATOM 755 N LYS A 48 25.344 16.829 29.986 1.00 0.00 N ATOM 756 CA LYS A 48 26.338 16.173 29.159 1.00 0.00 C ATOM 757 C LYS A 48 26.806 16.998 27.953 1.00 0.00 C ATOM 758 O LYS A 48 26.169 18.000 27.626 1.00 0.00 O ATOM 759 CB LYS A 48 25.837 14.776 28.781 1.00 0.00 C ATOM 760 CG LYS A 48 24.397 14.816 28.262 1.00 0.00 C ATOM 761 CD LYS A 48 23.985 13.506 27.605 1.00 0.00 C ATOM 762 CE LYS A 48 24.524 13.356 26.175 1.00 0.00 C ATOM 763 NZ LYS A 48 23.967 12.191 25.449 1.00 0.00 N ATOM 0 H LYS A 48 24.774 17.447 29.408 1.00 0.00 H new ATOM 0 HA LYS A 48 27.247 16.073 29.753 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.488 14.349 28.018 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.893 14.121 29.650 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.721 15.034 29.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.294 15.629 27.543 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.343 12.674 28.211 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.897 13.442 27.586 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.300 14.264 25.614 1.00 0.00 H new ATOM 0 HE3 LYS A 48 25.609 13.265 26.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.617 11.914 24.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.848 11.395 26.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.044 12.444 25.042 1.00 0.00 H new ATOM 777 N GLN A 49 27.843 16.578 27.226 1.00 0.00 N ATOM 778 CA GLN A 49 28.152 16.853 25.835 1.00 0.00 C ATOM 779 C GLN A 49 26.936 16.451 25.007 1.00 0.00 C ATOM 780 O GLN A 49 26.382 15.359 25.115 1.00 0.00 O ATOM 781 CB GLN A 49 29.410 16.151 25.341 1.00 0.00 C ATOM 782 CG GLN A 49 30.497 15.697 26.326 1.00 0.00 C ATOM 783 CD GLN A 49 30.214 14.348 26.968 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.152 14.128 27.545 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.207 13.464 26.948 1.00 0.00 N ATOM 0 H GLN A 49 28.553 15.978 27.645 1.00 0.00 H new ATOM 0 HA GLN A 49 28.366 17.916 25.729 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.088 15.267 24.790 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.887 16.818 24.623 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.452 15.647 25.802 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.602 16.448 27.109 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.075 13.683 26.458 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.101 12.567 27.423 1.00 0.00 H new ATOM 794 N LEU A 50 26.596 17.393 24.126 1.00 0.00 N ATOM 795 CA LEU A 50 25.696 17.249 23.001 1.00 0.00 C ATOM 796 C LEU A 50 26.379 16.291 22.021 1.00 0.00 C ATOM 797 O LEU A 50 27.575 16.386 21.757 1.00 0.00 O ATOM 798 CB LEU A 50 25.540 18.616 22.343 1.00 0.00 C ATOM 799 CG LEU A 50 24.565 18.793 21.175 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.183 18.171 21.381 1.00 0.00 C ATOM 801 CD2 LEU A 50 24.335 20.297 20.980 1.00 0.00 C ATOM 0 H LEU A 50 26.973 18.338 24.192 1.00 0.00 H new ATOM 0 HA LEU A 50 24.717 16.874 23.300 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.245 19.320 23.122 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.526 18.922 21.993 1.00 0.00 H new ATOM 0 HG LEU A 50 25.025 18.288 20.326 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.568 18.351 20.499 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.287 17.097 21.538 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.708 18.621 22.253 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.643 20.455 20.153 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.914 20.722 21.891 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.284 20.784 20.757 1.00 0.00 H new ATOM 813 N GLU A 51 25.578 15.388 21.458 1.00 0.00 N ATOM 814 CA GLU A 51 25.864 14.603 20.274 1.00 0.00 C ATOM 815 C GLU A 51 26.323 15.505 19.126 1.00 0.00 C ATOM 816 O GLU A 51 25.663 16.474 18.763 1.00 0.00 O ATOM 817 CB GLU A 51 24.589 13.785 20.057 1.00 0.00 C ATOM 818 CG GLU A 51 24.629 12.427 20.778 1.00 0.00 C ATOM 819 CD GLU A 51 24.393 12.539 22.274 1.00 0.00 C ATOM 820 OE1 GLU A 51 23.350 13.113 22.657 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.271 12.065 23.022 1.00 0.00 O ATOM 0 H GLU A 51 24.658 15.178 21.845 1.00 0.00 H new ATOM 0 HA GLU A 51 26.706 13.916 20.360 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.731 14.356 20.412 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.444 13.621 18.989 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.874 11.770 20.345 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.597 11.958 20.603 1.00 0.00 H new ATOM 828 N ASP A 52 27.230 14.999 18.296 1.00 0.00 N ATOM 829 CA ASP A 52 27.711 15.525 17.036 1.00 0.00 C ATOM 830 C ASP A 52 26.909 14.578 16.133 1.00 0.00 C ATOM 831 O ASP A 52 27.134 13.369 16.126 1.00 0.00 O ATOM 832 CB ASP A 52 29.220 15.302 16.864 1.00 0.00 C ATOM 833 CG ASP A 52 29.729 16.134 15.699 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.962 16.327 14.735 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.909 16.538 15.714 1.00 0.00 O ATOM 0 H ASP A 52 27.691 14.117 18.520 1.00 0.00 H new ATOM 0 HA ASP A 52 27.589 16.596 16.874 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.745 15.579 17.778 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.424 14.246 16.686 1.00 0.00 H new ATOM 840 N GLY A 53 25.914 15.147 15.458 1.00 0.00 N ATOM 841 CA GLY A 53 25.005 14.519 14.514 1.00 0.00 C ATOM 842 C GLY A 53 23.539 14.392 14.949 1.00 0.00 C ATOM 843 O GLY A 53 22.937 13.361 14.663 1.00 0.00 O ATOM 0 H GLY A 53 25.709 16.140 15.569 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.036 15.086 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.382 13.521 14.292 1.00 0.00 H new ATOM 847 N ARG A 54 23.045 15.379 15.687 1.00 0.00 N ATOM 848 CA ARG A 54 21.642 15.507 16.020 1.00 0.00 C ATOM 849 C ARG A 54 21.177 16.937 15.780 1.00 0.00 C ATOM 850 O ARG A 54 21.961 17.823 16.123 1.00 0.00 O ATOM 851 CB ARG A 54 21.425 15.188 17.506 1.00 0.00 C ATOM 852 CG ARG A 54 21.722 13.753 17.953 1.00 0.00 C ATOM 853 CD ARG A 54 20.682 12.771 17.415 1.00 0.00 C ATOM 854 NE ARG A 54 21.033 12.087 16.173 1.00 0.00 N ATOM 855 CZ ARG A 54 20.505 10.956 15.681 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.443 10.349 16.213 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.924 10.543 14.472 1.00 0.00 N ATOM 0 H ARG A 54 23.624 16.124 16.075 1.00 0.00 H new ATOM 0 HA ARG A 54 21.079 14.814 15.395 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.048 15.863 18.093 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.388 15.414 17.754 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.713 13.461 17.606 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.739 13.706 19.042 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.491 12.018 18.180 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.748 13.311 17.259 1.00 0.00 H new ATOM 0 HE ARG A 54 21.767 12.521 15.613 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.989 10.744 17.037 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.084 9.490 15.796 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.621 11.085 13.961 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.545 9.688 14.066 1.00 0.00 H new ATOM 871 N THR A 55 20.052 17.166 15.119 1.00 0.00 N ATOM 872 CA THR A 55 19.397 18.465 15.051 1.00 0.00 C ATOM 873 C THR A 55 18.658 18.839 16.336 1.00 0.00 C ATOM 874 O THR A 55 18.238 18.037 17.172 1.00 0.00 O ATOM 875 CB THR A 55 18.424 18.322 13.867 1.00 0.00 C ATOM 876 OG1 THR A 55 17.506 17.270 14.019 1.00 0.00 O ATOM 877 CG2 THR A 55 19.073 18.130 12.495 1.00 0.00 C ATOM 0 H THR A 55 19.558 16.438 14.603 1.00 0.00 H new ATOM 0 HA THR A 55 20.121 19.270 14.923 1.00 0.00 H new ATOM 0 HB THR A 55 17.925 19.291 13.891 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.917 17.234 13.236 1.00 0.00 H new ATOM 0 HG21 THR A 55 18.297 18.040 11.735 1.00 0.00 H new ATOM 0 HG22 THR A 55 19.706 18.988 12.268 1.00 0.00 H new ATOM 0 HG23 THR A 55 19.679 17.224 12.503 1.00 0.00 H new ATOM 885 N LEU A 56 18.537 20.125 16.656 1.00 0.00 N ATOM 886 CA LEU A 56 18.268 20.744 17.929 1.00 0.00 C ATOM 887 C LEU A 56 16.996 20.332 18.674 1.00 0.00 C ATOM 888 O LEU A 56 16.958 20.197 19.903 1.00 0.00 O ATOM 889 CB LEU A 56 18.292 22.259 17.705 1.00 0.00 C ATOM 890 CG LEU A 56 19.600 22.795 17.121 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.239 23.912 16.149 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.436 23.366 18.274 1.00 0.00 C ATOM 0 H LEU A 56 18.640 20.835 15.931 1.00 0.00 H new ATOM 0 HA LEU A 56 19.047 20.384 18.602 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.474 22.527 17.037 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.103 22.757 18.656 1.00 0.00 H new ATOM 0 HG LEU A 56 20.165 22.016 16.609 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.149 24.321 15.710 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.602 23.515 15.359 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.707 24.700 16.682 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.376 23.756 17.884 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.884 24.170 18.760 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.643 22.578 18.998 1.00 0.00 H new ATOM 904 N SER A 57 15.888 20.054 17.984 1.00 0.00 N ATOM 905 CA SER A 57 14.595 19.585 18.447 1.00 0.00 C ATOM 906 C SER A 57 14.604 18.096 18.813 1.00 0.00 C ATOM 907 O SER A 57 13.568 17.698 19.327 1.00 0.00 O ATOM 908 CB SER A 57 13.519 19.997 17.435 1.00 0.00 C ATOM 909 OG SER A 57 12.193 19.875 17.873 1.00 0.00 O ATOM 0 H SER A 57 15.883 20.168 16.970 1.00 0.00 H new ATOM 0 HA SER A 57 14.346 20.069 19.391 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.694 21.034 17.149 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.642 19.393 16.536 1.00 0.00 H new ATOM 0 HG SER A 57 12.122 19.120 18.493 1.00 0.00 H new ATOM 915 N ASP A 58 15.680 17.349 18.605 1.00 0.00 N ATOM 916 CA ASP A 58 15.817 16.005 19.124 1.00 0.00 C ATOM 917 C ASP A 58 16.158 16.005 20.618 1.00 0.00 C ATOM 918 O ASP A 58 16.117 14.938 21.233 1.00 0.00 O ATOM 919 CB ASP A 58 16.929 15.357 18.295 1.00 0.00 C ATOM 920 CG ASP A 58 16.839 13.841 18.205 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.291 13.155 19.140 1.00 0.00 O ATOM 922 OD2 ASP A 58 16.176 13.341 17.268 1.00 0.00 O ATOM 0 H ASP A 58 16.486 17.666 18.066 1.00 0.00 H new ATOM 0 HA ASP A 58 14.882 15.452 19.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.904 15.771 17.287 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.893 15.627 18.727 1.00 0.00 H new ATOM 927 N TYR A 59 16.497 17.172 21.157 1.00 0.00 N ATOM 928 CA TYR A 59 16.642 17.531 22.556 1.00 0.00 C ATOM 929 C TYR A 59 15.513 18.532 22.829 1.00 0.00 C ATOM 930 O TYR A 59 15.013 19.138 21.893 1.00 0.00 O ATOM 931 CB TYR A 59 17.999 18.223 22.713 1.00 0.00 C ATOM 932 CG TYR A 59 19.144 17.285 23.009 1.00 0.00 C ATOM 933 CD1 TYR A 59 19.709 16.426 22.050 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.689 17.407 24.284 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.865 15.734 22.427 1.00 0.00 C ATOM 936 CE2 TYR A 59 20.864 16.739 24.635 1.00 0.00 C ATOM 937 CZ TYR A 59 21.387 15.818 23.717 1.00 0.00 C ATOM 938 OH TYR A 59 22.436 14.999 24.050 1.00 0.00 O ATOM 0 H TYR A 59 16.697 17.972 20.556 1.00 0.00 H new ATOM 0 HA TYR A 59 16.592 16.679 23.235 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.222 18.772 21.798 1.00 0.00 H new ATOM 0 HB3 TYR A 59 17.929 18.957 23.516 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.272 16.306 21.070 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.194 18.029 25.015 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.368 15.117 21.697 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.352 16.925 25.580 1.00 0.00 H new ATOM 0 HH TYR A 59 22.828 14.622 23.235 1.00 0.00 H new ATOM 948 N ASN A 60 15.134 18.709 24.093 1.00 0.00 N ATOM 949 CA ASN A 60 14.173 19.733 24.448 1.00 0.00 C ATOM 950 C ASN A 60 14.909 21.074 24.524 1.00 0.00 C ATOM 951 O ASN A 60 14.791 21.801 25.503 1.00 0.00 O ATOM 952 CB ASN A 60 13.548 19.367 25.793 1.00 0.00 C ATOM 953 CG ASN A 60 12.258 20.098 26.145 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.246 19.908 25.467 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.253 20.991 27.128 1.00 0.00 N ATOM 0 H ASN A 60 15.479 18.157 24.879 1.00 0.00 H new ATOM 0 HA ASN A 60 13.378 19.810 23.707 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.350 18.295 25.801 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.279 19.562 26.577 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.408 21.526 27.327 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.095 21.142 27.684 1.00 0.00 H new ATOM 962 N ILE A 61 15.591 21.443 23.439 1.00 0.00 N ATOM 963 CA ILE A 61 15.963 22.829 23.189 1.00 0.00 C ATOM 964 C ILE A 61 14.731 23.631 22.781 1.00 0.00 C ATOM 965 O ILE A 61 14.149 23.370 21.736 1.00 0.00 O ATOM 966 CB ILE A 61 17.129 23.023 22.216 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.388 22.290 22.681 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.496 24.486 22.004 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.455 22.110 21.597 1.00 0.00 C ATOM 0 H ILE A 61 15.897 20.792 22.716 1.00 0.00 H new ATOM 0 HA ILE A 61 16.351 23.215 24.132 1.00 0.00 H new ATOM 0 HB ILE A 61 16.773 22.606 21.274 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.825 22.838 23.516 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.103 21.308 23.059 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.329 24.554 21.304 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.637 25.022 21.599 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.785 24.930 22.956 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.312 21.581 22.014 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.040 21.533 20.770 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.773 23.087 21.234 1.00 0.00 H new ATOM 981 N GLN A 62 14.273 24.431 23.747 1.00 0.00 N ATOM 982 CA GLN A 62 13.243 25.426 23.520 1.00 0.00 C ATOM 983 C GLN A 62 13.774 26.833 23.257 1.00 0.00 C ATOM 984 O GLN A 62 14.945 27.127 23.477 1.00 0.00 O ATOM 985 CB GLN A 62 12.514 25.501 24.853 1.00 0.00 C ATOM 986 CG GLN A 62 11.811 24.268 25.432 1.00 0.00 C ATOM 987 CD GLN A 62 10.740 23.715 24.509 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.216 24.404 23.638 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.255 22.504 24.780 1.00 0.00 N ATOM 0 H GLN A 62 14.612 24.400 24.708 1.00 0.00 H new ATOM 0 HA GLN A 62 12.656 25.137 22.648 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.238 25.836 25.596 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.763 26.286 24.764 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.551 23.492 25.629 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.360 24.528 26.390 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.689 21.931 25.503 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.449 22.150 24.264 1.00 0.00 H new ATOM 998 N LYS A 63 12.924 27.764 22.837 1.00 0.00 N ATOM 999 CA LYS A 63 13.227 29.182 22.827 1.00 0.00 C ATOM 1000 C LYS A 63 13.851 29.655 24.146 1.00 0.00 C ATOM 1001 O LYS A 63 13.417 29.319 25.240 1.00 0.00 O ATOM 1002 CB LYS A 63 11.975 29.942 22.384 1.00 0.00 C ATOM 1003 CG LYS A 63 10.722 29.661 23.213 1.00 0.00 C ATOM 1004 CD LYS A 63 9.843 30.908 23.297 1.00 0.00 C ATOM 1005 CE LYS A 63 10.280 31.907 24.366 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.600 33.208 24.312 1.00 0.00 N ATOM 0 H LYS A 63 11.990 27.546 22.489 1.00 0.00 H new ATOM 0 HA LYS A 63 14.009 29.400 22.099 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.185 31.011 22.421 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.767 29.694 21.343 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.159 28.842 22.765 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.007 29.342 24.216 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.844 31.406 22.327 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.816 30.603 23.498 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.109 31.465 25.347 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.354 32.070 24.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.302 33.961 24.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.919 33.211 23.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.097 33.374 25.207 1.00 0.00 H new ATOM 1020 N GLU A 64 14.957 30.385 24.066 1.00 0.00 N ATOM 1021 CA GLU A 64 15.723 31.147 25.035 1.00 0.00 C ATOM 1022 C GLU A 64 16.592 30.248 25.922 1.00 0.00 C ATOM 1023 O GLU A 64 17.054 30.681 26.975 1.00 0.00 O ATOM 1024 CB GLU A 64 14.880 32.223 25.727 1.00 0.00 C ATOM 1025 CG GLU A 64 14.582 33.435 24.851 1.00 0.00 C ATOM 1026 CD GLU A 64 13.175 34.022 24.909 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.549 34.011 25.991 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.614 34.349 23.839 1.00 0.00 O ATOM 0 H GLU A 64 15.410 30.464 23.155 1.00 0.00 H new ATOM 0 HA GLU A 64 16.467 31.743 24.507 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.938 31.780 26.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.400 32.556 26.625 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.286 34.223 25.118 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.789 33.160 23.817 1.00 0.00 H new ATOM 1035 N SER A 65 16.850 29.019 25.490 1.00 0.00 N ATOM 1036 CA SER A 65 17.669 28.065 26.211 1.00 0.00 C ATOM 1037 C SER A 65 19.162 28.387 26.140 1.00 0.00 C ATOM 1038 O SER A 65 19.591 28.908 25.104 1.00 0.00 O ATOM 1039 CB SER A 65 17.424 26.689 25.596 1.00 0.00 C ATOM 1040 OG SER A 65 16.120 26.215 25.840 1.00 0.00 O ATOM 0 H SER A 65 16.486 28.655 24.610 1.00 0.00 H new ATOM 0 HA SER A 65 17.390 28.101 27.264 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.594 26.740 24.520 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.147 25.980 26.000 1.00 0.00 H new ATOM 0 HG SER A 65 15.536 26.467 25.095 1.00 0.00 H new ATOM 1046 N THR A 66 19.904 28.056 27.192 1.00 0.00 N ATOM 1047 CA THR A 66 21.273 28.465 27.460 1.00 0.00 C ATOM 1048 C THR A 66 22.073 27.283 26.923 1.00 0.00 C ATOM 1049 O THR A 66 22.058 26.240 27.575 1.00 0.00 O ATOM 1050 CB THR A 66 21.624 28.897 28.888 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.654 29.803 29.366 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.969 29.599 29.083 1.00 0.00 C ATOM 0 H THR A 66 19.537 27.454 27.929 1.00 0.00 H new ATOM 0 HA THR A 66 21.503 29.414 26.976 1.00 0.00 H new ATOM 0 HB THR A 66 21.667 27.950 29.426 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.882 30.075 30.280 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.098 29.853 30.135 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.775 28.936 28.769 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.994 30.510 28.484 1.00 0.00 H new ATOM 1060 N LEU A 67 22.720 27.378 25.763 1.00 0.00 N ATOM 1061 CA LEU A 67 23.721 26.487 25.219 1.00 0.00 C ATOM 1062 C LEU A 67 25.082 26.930 25.742 1.00 0.00 C ATOM 1063 O LEU A 67 25.277 28.123 25.977 1.00 0.00 O ATOM 1064 CB LEU A 67 23.673 26.393 23.695 1.00 0.00 C ATOM 1065 CG LEU A 67 24.532 25.378 22.934 1.00 0.00 C ATOM 1066 CD1 LEU A 67 24.344 23.970 23.498 1.00 0.00 C ATOM 1067 CD2 LEU A 67 24.283 25.462 21.430 1.00 0.00 C ATOM 0 H LEU A 67 22.533 28.155 25.129 1.00 0.00 H new ATOM 0 HA LEU A 67 23.517 25.470 25.554 1.00 0.00 H new ATOM 0 HB2 LEU A 67 22.636 26.201 23.421 1.00 0.00 H new ATOM 0 HB3 LEU A 67 23.928 27.379 23.307 1.00 0.00 H new ATOM 0 HG LEU A 67 25.582 25.631 23.082 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.965 23.269 22.940 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.636 23.957 24.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.297 23.679 23.408 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.906 24.730 20.917 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.233 25.254 21.223 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.531 26.462 21.075 1.00 0.00 H new ATOM 1079 N HIS A 68 25.997 25.997 26.033 1.00 0.00 N ATOM 1080 CA HIS A 68 27.284 26.263 26.633 1.00 0.00 C ATOM 1081 C HIS A 68 28.330 25.665 25.684 1.00 0.00 C ATOM 1082 O HIS A 68 28.136 24.589 25.129 1.00 0.00 O ATOM 1083 CB HIS A 68 27.425 25.564 27.976 1.00 0.00 C ATOM 1084 CG HIS A 68 26.574 26.118 29.087 1.00 0.00 C ATOM 1085 ND1 HIS A 68 26.670 27.419 29.574 1.00 0.00 N ATOM 1086 CD2 HIS A 68 25.743 25.384 29.894 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.796 27.445 30.584 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.221 26.264 30.823 1.00 0.00 N ATOM 0 H HIS A 68 25.844 25.006 25.846 1.00 0.00 H new ATOM 0 HA HIS A 68 27.404 27.335 26.789 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.180 24.510 27.845 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.470 25.612 28.283 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.537 24.327 29.818 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.576 28.336 31.153 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.534 26.053 31.547 1.00 0.00 H new ATOM 1096 N LEU A 69 29.412 26.392 25.433 1.00 0.00 N ATOM 1097 CA LEU A 69 30.534 26.022 24.592 1.00 0.00 C ATOM 1098 C LEU A 69 31.726 25.867 25.547 1.00 0.00 C ATOM 1099 O LEU A 69 32.230 26.819 26.139 1.00 0.00 O ATOM 1100 CB LEU A 69 30.741 27.173 23.615 1.00 0.00 C ATOM 1101 CG LEU A 69 31.671 26.782 22.470 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.337 27.526 21.181 1.00 0.00 C ATOM 1103 CD2 LEU A 69 33.152 26.806 22.854 1.00 0.00 C ATOM 0 H LEU A 69 29.533 27.319 25.842 1.00 0.00 H new ATOM 0 HA LEU A 69 30.394 25.102 24.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.778 27.485 23.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.157 28.030 24.145 1.00 0.00 H new ATOM 0 HG LEU A 69 31.478 25.731 22.254 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.024 27.216 20.394 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.315 27.295 20.882 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.433 28.599 21.345 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.756 26.518 21.993 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.429 27.811 23.172 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.327 26.106 23.671 1.00 0.00 H new ATOM 1115 N VAL A 70 32.321 24.680 25.557 1.00 0.00 N ATOM 1116 CA VAL A 70 33.560 24.320 26.217 1.00 0.00 C ATOM 1117 C VAL A 70 34.605 24.131 25.107 1.00 0.00 C ATOM 1118 O VAL A 70 34.325 23.640 24.017 1.00 0.00 O ATOM 1119 CB VAL A 70 33.213 23.134 27.109 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.320 22.193 27.612 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.522 23.620 28.384 1.00 0.00 C ATOM 0 H VAL A 70 31.914 23.886 25.064 1.00 0.00 H new ATOM 0 HA VAL A 70 34.013 25.054 26.884 1.00 0.00 H new ATOM 0 HB VAL A 70 32.613 22.548 26.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.880 21.411 28.231 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.826 21.739 26.760 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.040 22.761 28.202 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.278 22.765 29.014 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.188 24.292 28.925 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.606 24.150 28.122 1.00 0.00 H new ATOM 1131 N LEU A 71 35.868 24.449 25.361 1.00 0.00 N ATOM 1132 CA LEU A 71 36.925 24.414 24.374 1.00 0.00 C ATOM 1133 C LEU A 71 37.267 22.927 24.256 1.00 0.00 C ATOM 1134 O LEU A 71 37.350 22.240 25.276 1.00 0.00 O ATOM 1135 CB LEU A 71 38.212 25.073 24.875 1.00 0.00 C ATOM 1136 CG LEU A 71 39.162 25.454 23.743 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.748 26.846 23.259 1.00 0.00 C ATOM 1138 CD2 LEU A 71 40.630 25.215 24.087 1.00 0.00 C ATOM 0 H LEU A 71 36.187 24.745 26.283 1.00 0.00 H new ATOM 0 HA LEU A 71 36.599 24.918 23.464 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.959 25.966 25.446 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.722 24.392 25.557 1.00 0.00 H new ATOM 0 HG LEU A 71 39.071 24.790 22.884 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.404 27.159 22.446 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.718 26.816 22.903 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.827 27.556 24.082 1.00 0.00 H new ATOM 0 HD21 LEU A 71 41.254 25.506 23.242 1.00 0.00 H new ATOM 0 HD22 LEU A 71 40.901 25.810 24.959 1.00 0.00 H new ATOM 0 HD23 LEU A 71 40.785 24.159 24.306 1.00 0.00 H new