USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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 55 THR OG1 : rot 126:sc= 1.25 USER MOD Set 1.2: A 57 SER OG : rot -83:sc= 1.22 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -175:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -15:sc= 0.965 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0223 (180deg=-0.227) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.93 (180deg=0.975) USER MOD Single : A 2 GLN : amide:sc= -1.02 K(o=-1,f=-0.23) USER MOD Single : A 7 THR OG1 : rot -61:sc= 0.995 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 11 LYS NZ :NH3+ -146:sc= 1.22 (180deg=1.14) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 2.33 (180deg=2.18) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0.462 (180deg=0.396) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 2.2 K(o=2.2,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.0839 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 62 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc=-0.00608 (180deg=-0.371) USER MOD Single : A 65 SER OG : rot 120:sc= 1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0388 X(o=0.039,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.377 -7.098 -4.976 1.00 9.67 N ATOM 2 CA MET A 1 11.349 -6.868 -3.492 1.00 10.38 C ATOM 3 C MET A 1 10.016 -7.324 -2.954 1.00 9.62 C ATOM 4 O MET A 1 8.914 -6.937 -3.466 1.00 9.62 O ATOM 5 CB MET A 1 11.528 -5.408 -3.116 1.00 13.77 C ATOM 6 CG MET A 1 11.420 -4.995 -1.673 1.00 16.29 C ATOM 7 SD MET A 1 12.260 -3.407 -1.482 1.00 17.17 S ATOM 8 CE MET A 1 10.684 -2.637 -1.062 1.00 16.11 C ATOM 0 H1 MET A 1 12.360 -7.065 -5.314 1.00 9.67 H new ATOM 0 H2 MET A 1 10.968 -8.030 -5.191 1.00 9.67 H new ATOM 0 H3 MET A 1 10.822 -6.358 -5.452 1.00 9.67 H new ATOM 0 HA MET A 1 12.180 -7.431 -3.066 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.510 -5.097 -3.472 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.790 -4.834 -3.676 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.374 -4.911 -1.378 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.874 -5.746 -1.027 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.798 -1.553 -1.059 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.933 -2.921 -1.799 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.367 -2.971 -0.074 1.00 16.11 H new ATOM 20 N GLN A 2 10.033 -8.081 -1.863 1.00 9.27 N ATOM 21 CA GLN A 2 8.827 -8.557 -1.134 1.00 9.07 C ATOM 22 C GLN A 2 8.403 -7.626 -0.028 1.00 8.72 C ATOM 23 O GLN A 2 9.173 -7.133 0.789 1.00 8.22 O ATOM 24 CB GLN A 2 9.203 -9.902 -0.512 1.00 14.46 C ATOM 25 CG GLN A 2 8.050 -10.592 0.230 1.00 17.01 C ATOM 26 CD GLN A 2 8.450 -11.975 0.553 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.780 -12.896 0.102 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.454 -12.223 1.488 1.00 19.49 N ATOM 0 H GLN A 2 10.903 -8.398 -1.436 1.00 9.27 H new ATOM 0 HA GLN A 2 7.994 -8.620 -1.834 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.564 -10.566 -1.298 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.029 -9.751 0.183 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.809 -10.046 1.142 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.152 -10.594 -0.387 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.008 -11.451 1.859 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.635 -13.177 1.801 1.00 19.49 H new ATOM 37 N ILE A 3 7.101 -7.381 0.041 1.00 5.87 N ATOM 38 CA ILE A 3 6.367 -6.638 1.106 1.00 5.07 C ATOM 39 C ILE A 3 5.098 -7.358 1.436 1.00 4.01 C ATOM 40 O ILE A 3 4.503 -8.186 0.667 1.00 4.61 O ATOM 41 CB ILE A 3 6.087 -5.163 0.755 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.257 -4.897 -0.505 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.424 -4.378 0.572 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.990 -3.428 -0.704 1.00 10.83 C ATOM 0 H ILE A 3 6.468 -7.711 -0.688 1.00 5.87 H new ATOM 0 HA ILE A 3 7.019 -6.610 1.979 1.00 5.07 H new ATOM 0 HB ILE A 3 5.494 -4.828 1.606 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.782 -5.291 -1.375 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.310 -5.432 -0.435 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.205 -3.339 0.325 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.999 -4.417 1.497 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.003 -4.829 -0.234 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.399 -3.285 -1.608 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.441 -3.038 0.154 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.936 -2.896 -0.801 1.00 10.83 H new ATOM 56 N PHE A 4 4.650 -7.103 2.673 1.00 4.55 N ATOM 57 CA PHE A 4 3.452 -7.755 3.171 1.00 4.68 C ATOM 58 C PHE A 4 2.493 -6.692 3.516 1.00 5.30 C ATOM 59 O PHE A 4 2.733 -5.819 4.312 1.00 5.58 O ATOM 60 CB PHE A 4 3.745 -8.582 4.457 1.00 4.83 C ATOM 61 CG PHE A 4 5.009 -9.377 4.360 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.045 -10.477 3.530 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.096 -9.097 5.219 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.187 -11.295 3.394 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.300 -9.891 5.046 1.00 10.61 C ATOM 66 CZ PHE A 4 7.328 -10.941 4.064 1.00 8.90 C ATOM 0 H PHE A 4 5.095 -6.461 3.329 1.00 4.55 H new ATOM 0 HA PHE A 4 3.068 -8.434 2.410 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.810 -7.907 5.310 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.910 -9.257 4.647 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.162 -10.723 2.960 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.034 -8.325 5.972 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.162 -12.180 2.776 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.171 -9.693 5.653 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.255 -11.454 3.853 1.00 8.90 H new ATOM 76 N VAL A 5 1.207 -6.719 2.964 1.00 4.44 N ATOM 77 CA VAL A 5 0.174 -5.831 3.243 1.00 3.87 C ATOM 78 C VAL A 5 -0.888 -6.531 4.131 1.00 4.93 C ATOM 79 O VAL A 5 -1.450 -7.602 3.843 1.00 6.84 O ATOM 80 CB VAL A 5 -0.537 -5.293 2.041 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.811 -4.428 2.514 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.434 -4.337 1.293 1.00 9.13 C ATOM 0 H VAL A 5 0.932 -7.430 2.286 1.00 4.44 H new ATOM 0 HA VAL A 5 0.655 -4.989 3.740 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.858 -6.116 1.402 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.330 -4.036 1.639 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.490 -5.062 3.084 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.477 -3.600 3.139 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.062 -3.931 0.411 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.723 -3.521 1.955 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.323 -4.888 0.987 1.00 9.13 H new ATOM 92 N LYS A 6 -1.100 -5.982 5.316 1.00 6.04 N ATOM 93 CA LYS A 6 -2.180 -6.348 6.276 1.00 6.12 C ATOM 94 C LYS A 6 -3.586 -5.768 5.936 1.00 6.57 C ATOM 95 O LYS A 6 -3.710 -4.588 5.650 1.00 5.76 O ATOM 96 CB LYS A 6 -1.870 -6.073 7.757 1.00 7.45 C ATOM 97 CG LYS A 6 -0.583 -6.852 8.274 1.00 11.12 C ATOM 98 CD LYS A 6 -0.640 -8.332 8.043 1.00 14.54 C ATOM 99 CE LYS A 6 0.484 -9.064 8.764 1.00 18.84 C ATOM 100 NZ LYS A 6 0.072 -10.454 9.025 1.00 20.55 N ATOM 0 H LYS A 6 -0.507 -5.232 5.671 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.212 -7.429 6.139 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.722 -5.002 7.900 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.730 -6.360 8.362 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.299 -6.449 7.776 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.460 -6.664 9.341 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.601 -8.716 8.385 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.578 -8.535 6.974 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.390 -9.049 8.158 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.719 -8.560 9.702 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.802 -10.932 9.591 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.828 -10.457 9.546 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.049 -10.956 8.122 1.00 20.55 H new ATOM 114 N THR A 7 -4.619 -6.635 5.931 1.00 7.41 N ATOM 115 CA THR A 7 -5.902 -6.179 5.443 1.00 7.48 C ATOM 116 C THR A 7 -6.972 -6.157 6.500 1.00 8.75 C ATOM 117 O THR A 7 -6.711 -6.301 7.702 1.00 8.58 O ATOM 118 CB THR A 7 -6.331 -6.941 4.194 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.576 -8.269 4.515 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.273 -6.864 3.089 1.00 9.17 C ATOM 0 H THR A 7 -4.581 -7.604 6.246 1.00 7.41 H new ATOM 0 HA THR A 7 -5.764 -5.137 5.155 1.00 7.48 H new ATOM 0 HB THR A 7 -7.242 -6.475 3.817 1.00 9.61 H new ATOM 0 HG1 THR A 7 -5.757 -8.678 4.865 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.617 -7.419 2.217 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.109 -5.822 2.814 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.339 -7.296 3.449 1.00 9.17 H new ATOM 128 N LEU A 8 -8.305 -6.054 6.035 1.00 9.84 N ATOM 129 CA LEU A 8 -9.438 -5.857 6.879 1.00 14.15 C ATOM 130 C LEU A 8 -9.588 -6.899 7.921 1.00 17.37 C ATOM 131 O LEU A 8 -9.838 -6.607 9.100 1.00 17.01 O ATOM 132 CB LEU A 8 -10.749 -5.711 6.076 1.00 16.63 C ATOM 133 CG LEU A 8 -10.735 -4.629 4.950 1.00 18.88 C ATOM 134 CD1 LEU A 8 -12.054 -4.461 4.224 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.192 -3.306 5.390 1.00 18.59 C ATOM 0 H LEU A 8 -8.548 -6.115 5.046 1.00 9.84 H new ATOM 0 HA LEU A 8 -9.242 -4.916 7.393 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.987 -6.675 5.626 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.555 -5.476 6.771 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.034 -5.039 4.223 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.953 -3.690 3.460 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.333 -5.404 3.754 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.826 -4.168 4.935 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.214 -2.607 4.554 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.801 -2.916 6.205 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.164 -3.430 5.732 1.00 18.59 H new ATOM 147 N THR A 9 -9.396 -8.160 7.525 1.00 18.33 N ATOM 148 CA THR A 9 -9.656 -9.226 8.533 1.00 19.24 C ATOM 149 C THR A 9 -8.354 -9.655 9.217 1.00 19.48 C ATOM 150 O THR A 9 -8.239 -10.722 9.808 1.00 23.14 O ATOM 151 CB THR A 9 -10.037 -10.499 7.807 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.157 -10.774 6.706 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.473 -10.212 7.285 1.00 19.70 C ATOM 0 H THR A 9 -9.089 -8.466 6.602 1.00 18.33 H new ATOM 0 HA THR A 9 -10.405 -8.833 9.221 1.00 19.24 H new ATOM 0 HB THR A 9 -9.975 -11.371 8.458 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.435 -11.604 6.265 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.842 -11.081 6.740 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.132 -10.005 8.128 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.453 -9.349 6.620 1.00 19.70 H new ATOM 161 N GLY A 10 -7.244 -8.869 9.028 1.00 19.43 N ATOM 162 CA GLY A 10 -5.855 -9.120 9.418 1.00 18.74 C ATOM 163 C GLY A 10 -5.126 -10.042 8.505 1.00 17.62 C ATOM 164 O GLY A 10 -3.916 -10.201 8.575 1.00 19.74 O ATOM 0 H GLY A 10 -7.330 -7.969 8.555 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.323 -8.170 9.459 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.841 -9.537 10.425 1.00 18.74 H new ATOM 168 N LYS A 11 -5.811 -10.584 7.468 1.00 13.56 N ATOM 169 CA LYS A 11 -5.238 -11.360 6.348 1.00 11.91 C ATOM 170 C LYS A 11 -4.135 -10.576 5.659 1.00 10.18 C ATOM 171 O LYS A 11 -4.191 -9.373 5.513 1.00 9.10 O ATOM 172 CB LYS A 11 -6.402 -11.626 5.359 1.00 13.43 C ATOM 173 CG LYS A 11 -5.942 -12.372 4.140 1.00 16.69 C ATOM 174 CD LYS A 11 -7.009 -12.678 3.065 1.00 17.92 C ATOM 175 CE LYS A 11 -7.436 -11.577 2.074 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.165 -12.215 0.932 1.00 21.93 N ATOM 0 H LYS A 11 -6.823 -10.486 7.389 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.797 -12.291 6.705 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.182 -12.198 5.862 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.846 -10.677 5.058 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.143 -11.797 3.671 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.506 -13.317 4.465 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.646 -13.521 2.477 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.907 -13.014 3.584 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.077 -10.849 2.571 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.562 -11.037 1.710 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.964 -11.692 0.056 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.850 -13.201 0.827 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.188 -12.196 1.119 1.00 21.93 H new ATOM 190 N THR A 12 -3.090 -11.327 5.200 1.00 9.63 N ATOM 191 CA THR A 12 -1.816 -10.808 4.740 1.00 9.85 C ATOM 192 C THR A 12 -1.665 -11.023 3.155 1.00 11.66 C ATOM 193 O THR A 12 -1.745 -12.158 2.706 1.00 12.33 O ATOM 194 CB THR A 12 -0.624 -11.480 5.322 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.762 -11.750 6.686 1.00 10.91 O ATOM 196 CG2 THR A 12 0.594 -10.572 5.120 1.00 9.63 C ATOM 0 H THR A 12 -3.139 -12.345 5.148 1.00 9.63 H new ATOM 0 HA THR A 12 -1.835 -9.763 5.048 1.00 9.85 H new ATOM 0 HB THR A 12 -0.505 -12.436 4.813 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.513 -11.234 7.047 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.478 -11.050 5.542 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.747 -10.401 4.055 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.424 -9.619 5.620 1.00 9.63 H new ATOM 204 N ILE A 13 -1.505 -9.958 2.377 1.00 10.42 N ATOM 205 CA ILE A 13 -1.185 -10.035 0.955 1.00 11.84 C ATOM 206 C ILE A 13 0.283 -9.866 0.774 1.00 10.55 C ATOM 207 O ILE A 13 0.776 -8.763 0.975 1.00 11.92 O ATOM 208 CB ILE A 13 -1.907 -8.955 0.124 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.429 -8.862 0.449 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.747 -9.199 -1.370 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.255 -10.099 0.074 1.00 16.46 C ATOM 0 H ILE A 13 -1.595 -9.002 2.721 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.521 -11.010 0.602 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.433 -8.013 0.399 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.545 -8.678 1.517 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.843 -7.998 -0.071 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.269 -8.419 -1.924 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.689 -9.183 -1.630 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.169 -10.170 -1.627 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.299 -9.934 0.340 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.178 -10.276 -0.999 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.876 -10.967 0.614 1.00 16.46 H new ATOM 223 N THR A 14 1.066 -10.914 0.450 1.00 9.39 N ATOM 224 CA THR A 14 2.406 -10.766 -0.013 1.00 9.63 C ATOM 225 C THR A 14 2.492 -10.281 -1.442 1.00 11.20 C ATOM 226 O THR A 14 2.113 -10.997 -2.371 1.00 11.63 O ATOM 227 CB THR A 14 3.107 -12.171 -0.001 1.00 10.38 C ATOM 228 OG1 THR A 14 2.748 -12.805 1.254 1.00 16.30 O ATOM 229 CG2 THR A 14 4.621 -12.076 -0.101 1.00 11.66 C ATOM 0 H THR A 14 0.757 -11.884 0.513 1.00 9.39 H new ATOM 0 HA THR A 14 2.876 -10.037 0.647 1.00 9.63 H new ATOM 0 HB THR A 14 2.776 -12.742 -0.869 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.165 -13.691 1.304 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.050 -13.078 -0.088 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.894 -11.577 -1.031 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.006 -11.505 0.744 1.00 11.66 H new ATOM 237 N LEU A 15 3.011 -9.057 -1.670 1.00 8.29 N ATOM 238 CA LEU A 15 3.263 -8.485 -2.989 1.00 9.03 C ATOM 239 C LEU A 15 4.692 -8.624 -3.368 1.00 8.59 C ATOM 240 O LEU A 15 5.596 -8.725 -2.514 1.00 7.79 O ATOM 241 CB LEU A 15 2.911 -6.962 -3.143 1.00 11.08 C ATOM 242 CG LEU A 15 1.599 -6.536 -2.591 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.428 -5.006 -2.709 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.481 -7.214 -3.392 1.00 15.27 C ATOM 0 H LEU A 15 3.271 -8.428 -0.911 1.00 8.29 H new ATOM 0 HA LEU A 15 2.597 -9.055 -3.637 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.693 -6.378 -2.658 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.936 -6.709 -4.203 1.00 11.08 H new ATOM 0 HG LEU A 15 1.552 -6.820 -1.540 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.461 -4.715 -2.299 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.222 -4.507 -2.154 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.480 -4.714 -3.758 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.487 -6.909 -2.996 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.554 -6.920 -4.439 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.581 -8.296 -3.312 1.00 15.27 H new ATOM 256 N GLU A 16 4.945 -8.762 -4.668 1.00 11.04 N ATOM 257 CA GLU A 16 6.218 -8.509 -5.289 1.00 11.50 C ATOM 258 C GLU A 16 6.194 -7.166 -6.069 1.00 10.13 C ATOM 259 O GLU A 16 5.345 -6.908 -6.922 1.00 9.83 O ATOM 260 CB GLU A 16 6.369 -9.639 -6.243 1.00 17.22 C ATOM 261 CG GLU A 16 7.740 -9.850 -6.871 1.00 23.33 C ATOM 262 CD GLU A 16 8.911 -9.670 -5.933 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.958 -10.387 -4.966 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.729 -8.799 -6.221 1.00 28.90 O ATOM 0 H GLU A 16 4.233 -9.065 -5.332 1.00 11.04 H new ATOM 0 HA GLU A 16 7.030 -8.436 -4.565 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.092 -10.557 -5.724 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.648 -9.498 -7.048 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.780 -10.856 -7.288 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.852 -9.155 -7.704 1.00 23.33 H new ATOM 271 N VAL A 17 7.153 -6.304 -5.686 1.00 8.99 N ATOM 272 CA VAL A 17 7.197 -4.904 -6.045 1.00 8.85 C ATOM 273 C VAL A 17 8.606 -4.508 -6.412 1.00 8.04 C ATOM 274 O VAL A 17 9.485 -5.326 -6.342 1.00 8.99 O ATOM 275 CB VAL A 17 6.697 -3.847 -4.986 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.171 -4.049 -4.778 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.475 -3.960 -3.709 1.00 10.54 C ATOM 0 H VAL A 17 7.938 -6.588 -5.099 1.00 8.99 H new ATOM 0 HA VAL A 17 6.484 -4.861 -6.868 1.00 8.85 H new ATOM 0 HB VAL A 17 6.867 -2.834 -5.350 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.805 -3.327 -4.048 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.652 -3.903 -5.725 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.984 -5.059 -4.414 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.112 -3.221 -2.995 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.348 -4.959 -3.293 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.531 -3.782 -3.910 1.00 10.54 H new ATOM 287 N GLU A 18 8.759 -3.224 -6.810 1.00 7.29 N ATOM 288 CA GLU A 18 10.056 -2.667 -6.995 1.00 7.08 C ATOM 289 C GLU A 18 10.300 -1.507 -6.115 1.00 6.45 C ATOM 290 O GLU A 18 9.348 -0.904 -5.647 1.00 5.28 O ATOM 291 CB GLU A 18 10.340 -2.318 -8.483 1.00 10.28 C ATOM 292 CG GLU A 18 10.489 -3.519 -9.467 1.00 12.65 C ATOM 293 CD GLU A 18 11.812 -4.225 -9.328 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.832 -3.603 -9.673 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.815 -5.393 -9.005 1.00 14.33 O ATOM 0 H GLU A 18 7.988 -2.584 -7.000 1.00 7.29 H new ATOM 0 HA GLU A 18 10.763 -3.444 -6.705 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.532 -1.681 -8.843 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.255 -1.727 -8.526 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.682 -4.230 -9.290 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.379 -3.160 -10.490 1.00 12.65 H new ATOM 302 N PRO A 19 11.552 -1.071 -5.713 1.00 7.24 N ATOM 303 CA PRO A 19 11.723 0.080 -4.785 1.00 7.07 C ATOM 304 C PRO A 19 11.481 1.308 -5.574 1.00 6.65 C ATOM 305 O PRO A 19 11.167 2.364 -5.005 1.00 6.37 O ATOM 306 CB PRO A 19 13.126 -0.130 -4.275 1.00 7.61 C ATOM 307 CG PRO A 19 13.808 -0.804 -5.427 1.00 8.16 C ATOM 308 CD PRO A 19 12.769 -1.771 -5.947 1.00 7.49 C ATOM 0 HA PRO A 19 11.046 0.166 -3.935 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.607 0.814 -4.018 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.141 -0.750 -3.379 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.104 -0.086 -6.192 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.713 -1.322 -5.109 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.913 -1.992 -7.005 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.798 -2.722 -5.416 1.00 7.49 H new ATOM 316 N SER A 20 11.592 1.217 -6.904 1.00 6.80 N ATOM 317 CA SER A 20 11.194 2.157 -7.945 1.00 6.28 C ATOM 318 C SER A 20 9.742 2.216 -8.239 1.00 8.45 C ATOM 319 O SER A 20 9.269 3.037 -9.026 1.00 7.26 O ATOM 320 CB SER A 20 12.019 1.848 -9.265 1.00 8.57 C ATOM 321 OG SER A 20 11.696 0.499 -9.732 1.00 11.13 O ATOM 0 H SER A 20 12.012 0.385 -7.318 1.00 6.80 H new ATOM 0 HA SER A 20 11.425 3.148 -7.553 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.780 2.580 -10.037 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.088 1.931 -9.068 1.00 8.57 H new ATOM 0 HG SER A 20 12.203 0.305 -10.548 1.00 11.13 H new ATOM 327 N ASP A 21 8.874 1.345 -7.628 1.00 7.50 N ATOM 328 CA ASP A 21 7.454 1.523 -7.822 1.00 7.70 C ATOM 329 C ASP A 21 6.933 2.731 -7.011 1.00 7.08 C ATOM 330 O ASP A 21 7.406 3.084 -5.926 1.00 8.11 O ATOM 331 CB ASP A 21 6.693 0.221 -7.335 1.00 11.00 C ATOM 332 CG ASP A 21 6.854 -0.894 -8.337 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.173 -0.660 -9.558 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.625 -2.067 -7.928 1.00 14.36 O ATOM 0 H ASP A 21 9.145 0.562 -7.033 1.00 7.50 H new ATOM 0 HA ASP A 21 7.272 1.702 -8.882 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.083 -0.094 -6.367 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.635 0.442 -7.196 1.00 11.00 H new ATOM 339 N THR A 22 5.855 3.388 -7.490 1.00 5.37 N ATOM 340 CA THR A 22 5.234 4.456 -6.678 1.00 6.01 C ATOM 341 C THR A 22 4.146 3.912 -5.713 1.00 8.01 C ATOM 342 O THR A 22 3.782 2.741 -5.881 1.00 8.11 O ATOM 343 CB THR A 22 4.621 5.499 -7.522 1.00 8.92 C ATOM 344 OG1 THR A 22 3.607 4.949 -8.356 1.00 10.22 O ATOM 345 CG2 THR A 22 5.751 6.236 -8.326 1.00 9.65 C ATOM 0 H THR A 22 5.413 3.210 -8.392 1.00 5.37 H new ATOM 0 HA THR A 22 6.048 4.884 -6.093 1.00 6.01 H new ATOM 0 HB THR A 22 4.120 6.239 -6.899 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.214 5.659 -8.905 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.306 7.009 -8.953 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.454 6.693 -7.630 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.278 5.518 -8.954 1.00 9.65 H new ATOM 353 N ILE A 23 3.612 4.581 -4.714 1.00 8.32 N ATOM 354 CA ILE A 23 2.443 4.256 -3.897 1.00 9.92 C ATOM 355 C ILE A 23 1.221 4.062 -4.773 1.00 10.01 C ATOM 356 O ILE A 23 0.575 3.046 -4.602 1.00 8.71 O ATOM 357 CB ILE A 23 2.241 5.287 -2.741 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.552 5.586 -1.884 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.063 4.906 -1.871 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.302 4.361 -1.463 1.00 12.30 C ATOM 0 H ILE A 23 4.026 5.464 -4.415 1.00 8.32 H new ATOM 0 HA ILE A 23 2.615 3.303 -3.396 1.00 9.92 H new ATOM 0 HB ILE A 23 2.015 6.235 -3.228 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.217 6.223 -2.468 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.270 6.150 -0.995 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.946 5.641 -1.075 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.157 4.880 -2.476 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.236 3.922 -1.434 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.179 4.652 -0.885 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.656 3.732 -0.850 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.617 3.806 -2.346 1.00 12.30 H new ATOM 372 N GLU A 24 0.959 4.884 -5.801 1.00 9.54 N ATOM 373 CA GLU A 24 -0.092 4.588 -6.780 1.00 11.81 C ATOM 374 C GLU A 24 0.010 3.288 -7.517 1.00 11.14 C ATOM 375 O GLU A 24 -1.004 2.571 -7.710 1.00 10.62 O ATOM 376 CB GLU A 24 -0.163 5.767 -7.793 1.00 19.24 C ATOM 377 CG GLU A 24 -1.068 5.512 -8.987 1.00 27.76 C ATOM 378 CD GLU A 24 -1.185 6.607 -9.995 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.140 7.143 -10.454 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.309 7.039 -10.270 1.00 34.80 O ATOM 0 H GLU A 24 1.460 5.756 -5.973 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.004 4.475 -6.193 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.512 6.658 -7.271 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.843 5.982 -8.154 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.711 4.618 -9.498 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.067 5.288 -8.613 1.00 27.76 H new ATOM 387 N ASN A 25 1.236 2.905 -7.978 1.00 9.43 N ATOM 388 CA ASN A 25 1.578 1.654 -8.614 1.00 10.96 C ATOM 389 C ASN A 25 1.240 0.459 -7.651 1.00 9.68 C ATOM 390 O ASN A 25 0.535 -0.454 -8.060 1.00 9.33 O ATOM 391 CB ASN A 25 3.143 1.583 -9.007 1.00 16.78 C ATOM 392 CG ASN A 25 3.544 0.648 -10.136 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.175 -0.399 -9.901 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.148 0.976 -11.394 1.00 24.70 N ATOM 0 H ASN A 25 2.045 3.521 -7.897 1.00 9.43 H new ATOM 0 HA ASN A 25 0.993 1.584 -9.531 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.469 2.589 -9.272 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.700 1.292 -8.116 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.367 0.358 -12.175 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.632 1.841 -11.557 1.00 24.70 H new ATOM 401 N VAL A 26 1.695 0.513 -6.424 1.00 6.52 N ATOM 402 CA VAL A 26 1.520 -0.574 -5.437 1.00 5.53 C ATOM 403 C VAL A 26 0.044 -0.766 -5.127 1.00 4.42 C ATOM 404 O VAL A 26 -0.440 -1.900 -5.049 1.00 3.40 O ATOM 405 CB VAL A 26 2.298 -0.283 -4.109 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.891 -1.205 -2.923 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.790 -0.508 -4.395 1.00 8.12 C ATOM 0 H VAL A 26 2.207 1.315 -6.058 1.00 6.52 H new ATOM 0 HA VAL A 26 1.927 -1.484 -5.877 1.00 5.53 H new ATOM 0 HB VAL A 26 2.062 0.738 -3.809 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.474 -0.941 -2.040 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.830 -1.076 -2.709 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.084 -2.245 -3.188 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.367 -0.314 -3.491 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.948 -1.539 -4.713 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.115 0.169 -5.185 1.00 8.12 H new ATOM 417 N LYS A 27 -0.590 0.374 -4.912 1.00 2.64 N ATOM 418 CA LYS A 27 -2.024 0.341 -4.765 1.00 4.14 C ATOM 419 C LYS A 27 -2.797 -0.278 -5.916 1.00 5.58 C ATOM 420 O LYS A 27 -3.803 -0.980 -5.680 1.00 4.11 O ATOM 421 CB LYS A 27 -2.638 1.713 -4.436 1.00 3.97 C ATOM 422 CG LYS A 27 -2.419 2.067 -3.001 1.00 7.45 C ATOM 423 CD LYS A 27 -3.278 3.318 -2.689 1.00 9.02 C ATOM 424 CE LYS A 27 -2.858 4.468 -3.634 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.661 5.628 -3.258 1.00 15.47 N ATOM 0 H LYS A 27 -0.154 1.293 -4.839 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.138 -0.328 -3.912 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.194 2.477 -5.075 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.706 1.699 -4.652 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.703 1.237 -2.354 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.365 2.270 -2.814 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.336 3.090 -2.821 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.143 3.617 -1.650 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.794 4.684 -3.534 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.031 4.197 -4.675 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.231 6.490 -3.651 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.625 5.520 -3.634 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.700 5.702 -2.221 1.00 15.47 H new ATOM 439 N ALA A 28 -2.322 -0.098 -7.158 1.00 6.61 N ATOM 440 CA ALA A 28 -3.018 -0.720 -8.265 1.00 7.74 C ATOM 441 C ALA A 28 -2.643 -2.193 -8.382 1.00 9.17 C ATOM 442 O ALA A 28 -3.300 -3.025 -9.060 1.00 11.45 O ATOM 443 CB ALA A 28 -2.733 0.036 -9.604 1.00 7.68 C ATOM 0 H ALA A 28 -1.497 0.449 -7.403 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.088 -0.657 -8.067 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.268 -0.452 -10.419 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.069 1.069 -9.517 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.663 0.019 -9.811 1.00 7.68 H new ATOM 449 N LYS A 29 -1.600 -2.573 -7.687 1.00 8.96 N ATOM 450 CA LYS A 29 -1.215 -4.008 -7.584 1.00 7.90 C ATOM 451 C LYS A 29 -2.097 -4.714 -6.568 1.00 6.92 C ATOM 452 O LYS A 29 -2.396 -5.911 -6.681 1.00 6.87 O ATOM 453 CB LYS A 29 0.283 -4.134 -7.215 1.00 10.28 C ATOM 454 CG LYS A 29 0.660 -5.619 -7.188 1.00 14.94 C ATOM 455 CD LYS A 29 2.186 -5.696 -7.395 1.00 19.69 C ATOM 456 CE LYS A 29 2.607 -5.698 -8.842 1.00 22.63 C ATOM 457 NZ LYS A 29 3.973 -5.226 -9.043 1.00 24.98 N ATOM 0 H LYS A 29 -0.989 -1.934 -7.178 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.364 -4.490 -8.551 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.897 -3.602 -7.941 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.472 -3.679 -6.243 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.375 -6.073 -6.239 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.136 -6.165 -7.972 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.654 -4.850 -6.892 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.563 -6.600 -6.916 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.517 -6.709 -9.239 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.924 -5.069 -9.413 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.268 -5.423 -10.021 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.016 -4.202 -8.869 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.610 -5.716 -8.383 1.00 24.98 H new ATOM 471 N ILE A 30 -2.601 -3.948 -5.576 1.00 4.57 N ATOM 472 CA ILE A 30 -3.453 -4.467 -4.581 1.00 5.58 C ATOM 473 C ILE A 30 -4.800 -4.691 -5.184 1.00 7.26 C ATOM 474 O ILE A 30 -5.483 -5.719 -4.939 1.00 9.46 O ATOM 475 CB ILE A 30 -3.557 -3.675 -3.295 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.195 -3.569 -2.633 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.584 -4.413 -2.325 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.171 -2.850 -1.319 1.00 2.00 C ATOM 0 H ILE A 30 -2.404 -2.952 -5.477 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.992 -5.399 -4.253 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.911 -2.667 -3.510 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.804 -4.575 -2.484 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.516 -3.061 -3.318 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.670 -3.854 -1.393 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.561 -4.471 -2.805 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.224 -5.420 -2.112 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.152 -2.831 -0.933 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.526 -1.829 -1.457 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.818 -3.366 -0.610 1.00 2.00 H new ATOM 490 N GLN A 31 -5.165 -3.804 -6.083 1.00 7.06 N ATOM 491 CA GLN A 31 -6.471 -3.836 -6.758 1.00 8.67 C ATOM 492 C GLN A 31 -6.764 -5.245 -7.464 1.00 10.90 C ATOM 493 O GLN A 31 -7.859 -5.833 -7.380 1.00 9.63 O ATOM 494 CB GLN A 31 -6.515 -2.697 -7.772 1.00 9.12 C ATOM 495 CG GLN A 31 -7.799 -2.695 -8.679 1.00 10.76 C ATOM 496 CD GLN A 31 -7.862 -1.459 -9.529 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.956 -0.705 -9.801 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.133 -1.069 -9.852 1.00 14.76 N ATOM 0 H GLN A 31 -4.570 -3.030 -6.378 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.254 -3.708 -6.010 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.458 -1.748 -7.239 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.633 -2.758 -8.409 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.798 -3.579 -9.317 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.689 -2.755 -8.053 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.923 -1.678 -9.639 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.291 -0.169 -10.306 1.00 14.76 H new ATOM 507 N ASP A 32 -5.715 -5.831 -8.101 1.00 10.93 N ATOM 508 CA ASP A 32 -5.536 -7.134 -8.696 1.00 14.01 C ATOM 509 C ASP A 32 -5.945 -8.238 -7.765 1.00 14.04 C ATOM 510 O ASP A 32 -6.596 -9.230 -8.110 1.00 13.39 O ATOM 511 CB ASP A 32 -4.142 -7.226 -9.430 1.00 18.01 C ATOM 512 CG ASP A 32 -4.069 -8.419 -10.390 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.103 -9.604 -10.007 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.045 -8.122 -11.598 1.00 26.29 O ATOM 0 H ASP A 32 -4.856 -5.293 -8.211 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.238 -7.291 -9.515 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.964 -6.305 -9.984 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.348 -7.310 -8.688 1.00 18.01 H new ATOM 519 N LYS A 33 -5.483 -8.121 -6.517 1.00 14.22 N ATOM 520 CA LYS A 33 -5.498 -9.092 -5.470 1.00 14.00 C ATOM 521 C LYS A 33 -6.808 -8.941 -4.769 1.00 12.37 C ATOM 522 O LYS A 33 -7.452 -9.941 -4.493 1.00 12.17 O ATOM 523 CB LYS A 33 -4.394 -8.852 -4.402 1.00 18.62 C ATOM 524 CG LYS A 33 -2.939 -8.814 -4.901 1.00 24.00 C ATOM 525 CD LYS A 33 -2.293 -10.122 -5.438 1.00 27.61 C ATOM 526 CE LYS A 33 -0.966 -9.930 -6.250 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.638 -11.196 -6.876 1.00 30.06 N ATOM 0 H LYS A 33 -5.051 -7.251 -6.206 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.334 -10.074 -5.914 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.606 -7.907 -3.902 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.474 -9.636 -3.649 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.882 -8.069 -5.695 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.319 -8.453 -4.080 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.091 -10.781 -4.594 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.018 -10.631 -6.073 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.089 -9.153 -7.004 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.159 -9.610 -5.591 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.241 -11.096 -7.423 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.509 -11.923 -6.143 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.411 -11.479 -7.512 1.00 30.06 H new ATOM 541 N GLU A 34 -7.254 -7.752 -4.417 1.00 10.11 N ATOM 542 CA GLU A 34 -8.388 -7.652 -3.474 1.00 10.07 C ATOM 543 C GLU A 34 -9.509 -6.787 -3.980 1.00 9.32 C ATOM 544 O GLU A 34 -10.575 -6.719 -3.395 1.00 11.61 O ATOM 545 CB GLU A 34 -7.881 -6.965 -2.144 1.00 14.77 C ATOM 546 CG GLU A 34 -7.269 -8.000 -1.174 1.00 18.75 C ATOM 547 CD GLU A 34 -8.239 -9.124 -0.767 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.404 -8.726 -0.397 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.032 -10.294 -0.844 1.00 21.95 O ATOM 0 H GLU A 34 -6.877 -6.863 -4.746 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.757 -8.668 -3.331 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.137 -6.206 -2.385 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.712 -6.454 -1.657 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.389 -8.444 -1.640 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.928 -7.485 -0.276 1.00 18.75 H new ATOM 556 N GLY A 35 -9.434 -6.125 -5.139 1.00 7.22 N ATOM 557 CA GLY A 35 -10.582 -5.505 -5.832 1.00 6.29 C ATOM 558 C GLY A 35 -11.041 -4.213 -5.160 1.00 6.93 C ATOM 559 O GLY A 35 -12.211 -3.982 -4.915 1.00 7.41 O ATOM 0 H GLY A 35 -8.554 -5.999 -5.639 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.308 -5.296 -6.866 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.411 -6.212 -5.858 1.00 6.29 H new ATOM 563 N ILE A 36 -10.015 -3.325 -4.858 1.00 5.86 N ATOM 564 CA ILE A 36 -10.247 -2.068 -4.205 1.00 6.07 C ATOM 565 C ILE A 36 -9.720 -1.002 -5.124 1.00 6.36 C ATOM 566 O ILE A 36 -8.485 -0.996 -5.343 1.00 6.18 O ATOM 567 CB ILE A 36 -9.552 -1.970 -2.889 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.409 -3.274 -2.064 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.276 -0.885 -2.112 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.707 -3.828 -1.443 1.00 9.49 C ATOM 0 H ILE A 36 -9.035 -3.503 -5.077 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.313 -1.958 -4.004 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.507 -1.733 -3.088 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -8.981 -4.042 -2.708 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.693 -3.096 -1.261 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.810 -0.766 -1.134 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.216 0.056 -2.659 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.322 -1.165 -1.985 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.485 -4.741 -0.890 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -11.131 -3.087 -0.765 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -11.424 -4.048 -2.234 1.00 9.49 H new ATOM 582 N PRO A 37 -10.398 -0.024 -5.633 1.00 8.65 N ATOM 583 CA PRO A 37 -9.783 1.078 -6.355 1.00 9.18 C ATOM 584 C PRO A 37 -8.596 1.808 -5.698 1.00 9.85 C ATOM 585 O PRO A 37 -8.709 1.982 -4.490 1.00 8.51 O ATOM 586 CB PRO A 37 -11.023 2.011 -6.494 1.00 11.42 C ATOM 587 CG PRO A 37 -12.079 0.997 -6.884 1.00 9.27 C ATOM 588 CD PRO A 37 -11.795 -0.186 -5.948 1.00 8.33 C ATOM 0 HA PRO A 37 -9.293 0.734 -7.266 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.263 2.525 -5.563 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.883 2.779 -7.255 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.086 1.390 -6.742 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.994 0.710 -7.932 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.417 -0.151 -5.053 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.991 -1.141 -6.435 1.00 8.33 H new ATOM 596 N PRO A 38 -7.525 2.258 -6.290 1.00 8.71 N ATOM 597 CA PRO A 38 -6.414 3.029 -5.619 1.00 9.08 C ATOM 598 C PRO A 38 -6.855 4.326 -4.806 1.00 9.28 C ATOM 599 O PRO A 38 -6.128 4.897 -3.936 1.00 6.50 O ATOM 600 CB PRO A 38 -5.428 3.297 -6.749 1.00 10.31 C ATOM 601 CG PRO A 38 -5.536 2.102 -7.623 1.00 10.81 C ATOM 602 CD PRO A 38 -6.982 1.592 -7.482 1.00 12.00 C ATOM 0 HA PRO A 38 -5.974 2.452 -4.806 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.681 4.209 -7.290 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.414 3.422 -6.370 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.313 2.357 -8.659 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.822 1.335 -7.323 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.570 1.833 -8.367 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.005 0.508 -7.370 1.00 12.00 H new ATOM 610 N ASP A 39 -8.027 4.816 -5.258 1.00 11.20 N ATOM 611 CA ASP A 39 -8.616 5.910 -4.625 1.00 14.96 C ATOM 612 C ASP A 39 -9.464 5.640 -3.331 1.00 13.99 C ATOM 613 O ASP A 39 -9.716 6.541 -2.531 1.00 13.75 O ATOM 614 CB ASP A 39 -9.488 6.805 -5.616 1.00 24.16 C ATOM 615 CG ASP A 39 -8.597 7.298 -6.714 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.765 8.220 -6.498 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.662 6.789 -7.858 1.00 35.55 O ATOM 0 H ASP A 39 -8.545 4.444 -6.054 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.725 6.440 -4.288 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.311 6.222 -6.029 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.929 7.645 -5.080 1.00 24.16 H new ATOM 622 N GLN A 40 -9.890 4.371 -3.147 1.00 11.60 N ATOM 623 CA GLN A 40 -10.551 3.888 -1.966 1.00 10.76 C ATOM 624 C GLN A 40 -9.578 3.295 -0.935 1.00 8.01 C ATOM 625 O GLN A 40 -9.779 3.271 0.281 1.00 8.96 O ATOM 626 CB GLN A 40 -11.662 2.875 -2.313 1.00 11.14 C ATOM 627 CG GLN A 40 -12.501 2.457 -1.103 1.00 14.85 C ATOM 628 CD GLN A 40 -13.587 1.522 -1.631 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.716 1.066 -2.769 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.490 1.218 -0.702 1.00 18.16 N ATOM 0 H GLN A 40 -9.767 3.648 -3.856 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.012 4.760 -1.502 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.317 3.310 -3.068 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.210 1.988 -2.756 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.884 1.954 -0.358 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.941 3.328 -0.617 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.394 1.589 0.243 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.278 0.614 -0.935 1.00 18.16 H new ATOM 639 N GLN A 41 -8.469 2.772 -1.543 1.00 6.52 N ATOM 640 CA GLN A 41 -7.363 2.487 -0.742 1.00 3.87 C ATOM 641 C GLN A 41 -6.738 3.554 -0.006 1.00 4.79 C ATOM 642 O GLN A 41 -6.448 4.593 -0.527 1.00 6.34 O ATOM 643 CB GLN A 41 -6.389 1.644 -1.471 1.00 4.20 C ATOM 644 CG GLN A 41 -7.000 0.356 -2.089 1.00 3.20 C ATOM 645 CD GLN A 41 -5.895 -0.288 -2.821 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.780 -0.466 -2.319 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.111 -0.603 -4.099 1.00 7.13 N ATOM 0 H GLN A 41 -8.371 2.568 -2.538 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.807 1.929 0.082 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.937 2.236 -2.266 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.587 1.361 -0.789 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.395 -0.302 -1.315 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.827 0.595 -2.757 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.032 -0.456 -4.512 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.355 -0.991 -4.663 1.00 7.13 H new ATOM 656 N ARG A 42 -6.406 3.335 1.288 1.00 5.73 N ATOM 657 CA ARG A 42 -5.389 4.133 1.975 1.00 6.97 C ATOM 658 C ARG A 42 -4.344 3.174 2.504 1.00 7.15 C ATOM 659 O ARG A 42 -4.726 2.236 3.219 1.00 7.33 O ATOM 660 CB ARG A 42 -5.923 4.958 3.140 1.00 13.23 C ATOM 661 CG ARG A 42 -6.753 6.178 2.645 1.00 21.27 C ATOM 662 CD ARG A 42 -6.747 7.173 3.805 1.00 26.14 C ATOM 663 NE ARG A 42 -7.282 8.452 3.317 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.045 9.308 4.025 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.819 8.878 5.037 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.006 10.587 3.654 1.00 36.39 N ATOM 0 H ARG A 42 -6.832 2.612 1.868 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.992 4.847 1.253 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.544 4.329 3.777 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.091 5.307 3.751 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.311 6.616 1.750 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.770 5.882 2.387 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.352 6.798 4.630 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.735 7.305 4.187 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.056 8.715 2.358 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.836 7.888 5.281 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.389 9.542 5.561 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.419 10.873 2.870 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.563 11.280 4.154 1.00 36.39 H new ATOM 680 N LEU A 43 -3.043 3.430 2.431 1.00 4.65 N ATOM 681 CA LEU A 43 -1.953 2.535 2.816 1.00 3.51 C ATOM 682 C LEU A 43 -1.134 3.213 3.838 1.00 5.56 C ATOM 683 O LEU A 43 -0.671 4.327 3.668 1.00 4.19 O ATOM 684 CB LEU A 43 -1.048 2.066 1.633 1.00 3.74 C ATOM 685 CG LEU A 43 -1.619 1.333 0.415 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.497 0.625 -0.385 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.786 0.362 0.782 1.00 6.41 C ATOM 0 H LEU A 43 -2.697 4.323 2.080 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.412 1.625 3.203 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.539 2.953 1.256 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.283 1.417 2.060 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.060 2.090 -0.233 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.930 0.113 -1.244 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.226 1.364 -0.730 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.004 -0.101 0.255 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.149 -0.128 -0.121 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.426 -0.391 1.483 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.598 0.926 1.240 1.00 6.41 H new ATOM 699 N ILE A 44 -0.977 2.558 5.000 1.00 4.58 N ATOM 700 CA ILE A 44 -0.265 3.125 6.137 1.00 5.55 C ATOM 701 C ILE A 44 1.039 2.277 6.440 1.00 5.46 C ATOM 702 O ILE A 44 1.058 1.066 6.353 1.00 6.04 O ATOM 703 CB ILE A 44 -1.132 3.118 7.454 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.539 3.669 7.224 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.442 3.887 8.551 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.655 5.012 6.560 1.00 13.90 C ATOM 0 H ILE A 44 -1.343 1.621 5.169 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.026 4.153 5.865 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.236 2.077 7.761 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.089 2.947 6.621 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.041 3.726 8.190 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.058 3.869 9.450 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.524 3.430 8.764 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.293 4.919 8.234 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.707 5.279 6.460 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.146 5.762 7.165 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.196 4.970 5.572 1.00 13.90 H new ATOM 718 N PHE A 45 2.198 2.883 6.757 1.00 6.75 N ATOM 719 CA PHE A 45 3.391 2.208 7.140 1.00 4.70 C ATOM 720 C PHE A 45 3.773 2.750 8.513 1.00 6.34 C ATOM 721 O PHE A 45 4.096 3.913 8.669 1.00 5.45 O ATOM 722 CB PHE A 45 4.500 2.339 6.055 1.00 5.51 C ATOM 723 CG PHE A 45 5.768 1.577 6.392 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.735 0.186 6.274 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.920 2.199 6.814 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.928 -0.538 6.576 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.085 1.442 7.061 1.00 6.64 C ATOM 728 CZ PHE A 45 8.107 0.097 7.014 1.00 6.84 C ATOM 0 H PHE A 45 2.303 3.897 6.744 1.00 6.75 H new ATOM 0 HA PHE A 45 3.244 1.131 7.217 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.111 1.978 5.103 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.743 3.393 5.921 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.836 -0.326 5.964 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.933 3.269 6.957 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.927 -1.612 6.465 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.000 1.965 7.298 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.984 -0.467 7.298 1.00 6.84 H new ATOM 738 N ALA A 46 3.627 1.927 9.585 1.00 6.53 N ATOM 739 CA ALA A 46 3.882 2.251 10.975 1.00 7.15 C ATOM 740 C ALA A 46 3.348 3.570 11.440 1.00 9.00 C ATOM 741 O ALA A 46 4.090 4.506 11.759 1.00 11.15 O ATOM 742 CB ALA A 46 5.371 2.156 11.343 1.00 8.99 C ATOM 0 H ALA A 46 3.307 0.965 9.472 1.00 6.53 H new ATOM 0 HA ALA A 46 3.318 1.482 11.503 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.503 2.409 12.395 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.725 1.140 11.167 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.943 2.851 10.728 1.00 8.99 H new ATOM 748 N GLY A 47 1.984 3.716 11.335 1.00 9.35 N ATOM 749 CA GLY A 47 1.269 4.960 11.748 1.00 11.68 C ATOM 750 C GLY A 47 1.447 6.146 10.827 1.00 11.14 C ATOM 751 O GLY A 47 1.031 7.234 11.198 1.00 13.93 O ATOM 0 H GLY A 47 1.369 2.989 10.970 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.205 4.738 11.826 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.610 5.241 12.745 1.00 11.68 H new ATOM 755 N LYS A 48 2.082 5.959 9.675 1.00 10.47 N ATOM 756 CA LYS A 48 2.401 7.006 8.776 1.00 8.82 C ATOM 757 C LYS A 48 1.635 6.739 7.458 1.00 7.68 C ATOM 758 O LYS A 48 1.891 5.759 6.831 1.00 6.47 O ATOM 759 CB LYS A 48 3.919 7.138 8.433 1.00 9.74 C ATOM 760 CG LYS A 48 4.304 8.180 7.334 1.00 14.14 C ATOM 761 CD LYS A 48 5.764 8.155 6.916 1.00 16.32 C ATOM 762 CE LYS A 48 6.740 8.262 8.082 1.00 20.04 C ATOM 763 NZ LYS A 48 8.106 8.129 7.619 1.00 23.92 N ATOM 0 H LYS A 48 2.388 5.041 9.353 1.00 10.47 H new ATOM 0 HA LYS A 48 2.118 7.937 9.267 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.453 7.396 9.348 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.282 6.160 8.117 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.686 8.004 6.454 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.062 9.178 7.699 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.961 7.231 6.373 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.948 8.977 6.224 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.612 9.222 8.583 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.523 7.487 8.817 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.756 8.205 8.428 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.229 7.203 7.162 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.316 8.884 6.935 1.00 23.92 H new ATOM 777 N GLN A 49 0.806 7.699 7.015 1.00 8.89 N ATOM 778 CA GLN A 49 -0.001 7.761 5.817 1.00 7.18 C ATOM 779 C GLN A 49 0.827 7.792 4.564 1.00 8.23 C ATOM 780 O GLN A 49 1.627 8.672 4.371 1.00 9.70 O ATOM 781 CB GLN A 49 -0.989 8.943 5.804 1.00 11.67 C ATOM 782 CG GLN A 49 -1.978 8.886 6.966 1.00 15.82 C ATOM 783 CD GLN A 49 -2.512 10.260 7.282 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.661 11.153 6.435 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.923 10.418 8.517 1.00 20.67 N ATOM 0 H GLN A 49 0.682 8.547 7.568 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.581 6.838 5.834 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.432 9.879 5.849 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.538 8.944 4.862 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.803 8.219 6.715 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.488 8.470 7.846 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.791 9.670 9.198 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.375 11.288 8.797 1.00 20.67 H new ATOM 794 N LEU A 50 0.690 6.866 3.609 1.00 6.51 N ATOM 795 CA LEU A 50 1.444 6.816 2.335 1.00 7.41 C ATOM 796 C LEU A 50 0.756 7.595 1.261 1.00 8.27 C ATOM 797 O LEU A 50 -0.457 7.721 1.286 1.00 8.34 O ATOM 798 CB LEU A 50 1.640 5.395 1.792 1.00 7.13 C ATOM 799 CG LEU A 50 2.636 4.571 2.612 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.586 3.084 2.334 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.040 5.140 2.598 1.00 9.11 C ATOM 0 H LEU A 50 0.026 6.097 3.698 1.00 6.51 H new ATOM 0 HA LEU A 50 2.416 7.245 2.580 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.678 4.882 1.778 1.00 7.13 H new ATOM 0 HB3 LEU A 50 1.987 5.451 0.760 1.00 7.13 H new ATOM 0 HG LEU A 50 2.292 4.668 3.642 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.322 2.573 2.955 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.591 2.704 2.564 1.00 8.14 H new ATOM 0 HD13 LEU A 50 2.810 2.903 1.283 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.695 4.508 3.198 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.409 5.174 1.573 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.028 6.148 3.013 1.00 9.11 H new ATOM 813 N GLU A 51 1.469 8.242 0.314 1.00 9.43 N ATOM 814 CA GLU A 51 0.855 9.178 -0.650 1.00 11.90 C ATOM 815 C GLU A 51 1.137 8.781 -2.147 1.00 11.49 C ATOM 816 O GLU A 51 2.314 8.690 -2.510 1.00 9.88 O ATOM 817 CB GLU A 51 1.344 10.623 -0.367 1.00 16.56 C ATOM 818 CG GLU A 51 0.652 11.714 -1.191 1.00 26.06 C ATOM 819 CD GLU A 51 1.332 13.078 -1.071 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.441 13.173 -1.565 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.791 14.070 -0.531 1.00 32.13 O ATOM 0 H GLU A 51 2.476 8.131 0.197 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.225 9.124 -0.512 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.197 10.840 0.691 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.416 10.671 -0.556 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.635 11.414 -2.239 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.385 11.802 -0.868 1.00 26.06 H new ATOM 828 N ASP A 52 0.070 8.607 -2.918 1.00 12.71 N ATOM 829 CA ASP A 52 0.089 8.245 -4.351 1.00 16.56 C ATOM 830 C ASP A 52 1.358 8.458 -5.232 1.00 15.83 C ATOM 831 O ASP A 52 1.881 7.553 -5.897 1.00 17.21 O ATOM 832 CB ASP A 52 -0.997 9.073 -4.981 1.00 21.05 C ATOM 833 CG ASP A 52 -2.271 8.935 -4.235 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.831 7.869 -4.282 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.742 9.900 -3.601 1.00 25.82 O ATOM 0 H ASP A 52 -0.878 8.716 -2.557 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.003 7.159 -4.334 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.695 10.120 -5.002 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.142 8.763 -6.016 1.00 21.05 H new ATOM 840 N GLY A 53 1.906 9.662 -5.172 1.00 15.00 N ATOM 841 CA GLY A 53 2.839 10.200 -6.096 1.00 11.77 C ATOM 842 C GLY A 53 4.251 9.913 -5.741 1.00 11.10 C ATOM 843 O GLY A 53 5.178 10.378 -6.411 1.00 11.25 O ATOM 0 H GLY A 53 1.683 10.315 -4.421 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.632 9.796 -7.087 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.699 11.279 -6.156 1.00 11.77 H new ATOM 847 N ARG A 54 4.479 9.141 -4.658 1.00 8.53 N ATOM 848 CA ARG A 54 5.790 8.905 -4.042 1.00 9.05 C ATOM 849 C ARG A 54 6.198 7.517 -4.368 1.00 8.96 C ATOM 850 O ARG A 54 5.377 6.640 -4.624 1.00 11.60 O ATOM 851 CB ARG A 54 5.704 9.093 -2.497 1.00 7.97 C ATOM 852 CG ARG A 54 5.021 10.427 -2.031 1.00 9.62 C ATOM 853 CD ARG A 54 6.029 11.557 -1.738 1.00 12.20 C ATOM 854 NE ARG A 54 5.125 12.668 -1.357 1.00 18.23 N ATOM 855 CZ ARG A 54 5.558 13.896 -1.020 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.812 14.236 -0.920 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.584 14.728 -0.743 1.00 23.38 N ATOM 0 H ARG A 54 3.726 8.650 -4.176 1.00 8.53 H new ATOM 0 HA ARG A 54 6.522 9.617 -4.424 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.154 8.253 -2.073 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.712 9.054 -2.084 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.326 10.760 -2.802 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.433 10.232 -1.134 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.717 11.294 -0.935 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.635 11.802 -2.610 1.00 12.20 H new ATOM 0 HE ARG A 54 4.120 12.492 -1.350 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.543 13.549 -1.103 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.063 15.190 -0.659 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.615 14.414 -0.796 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.795 15.689 -0.474 1.00 23.38 H new ATOM 871 N THR A 55 7.492 7.210 -4.206 1.00 9.05 N ATOM 872 CA THR A 55 8.110 5.886 -4.328 1.00 9.03 C ATOM 873 C THR A 55 8.366 5.230 -2.982 1.00 8.15 C ATOM 874 O THR A 55 8.632 5.882 -1.993 1.00 5.91 O ATOM 875 CB THR A 55 9.424 5.800 -5.132 1.00 11.15 C ATOM 876 OG1 THR A 55 10.361 6.622 -4.517 1.00 11.95 O ATOM 877 CG2 THR A 55 9.345 6.299 -6.567 1.00 11.71 C ATOM 0 H THR A 55 8.178 7.927 -3.971 1.00 9.05 H new ATOM 0 HA THR A 55 7.347 5.357 -4.899 1.00 9.03 H new ATOM 0 HB THR A 55 9.674 4.739 -5.154 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.171 6.106 -4.323 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.320 6.195 -7.043 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.609 5.712 -7.116 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.049 7.348 -6.572 1.00 11.71 H new ATOM 885 N LEU A 56 8.381 3.944 -2.971 1.00 6.91 N ATOM 886 CA LEU A 56 8.821 3.084 -1.812 1.00 8.29 C ATOM 887 C LEU A 56 10.186 3.432 -1.329 1.00 8.05 C ATOM 888 O LEU A 56 10.532 3.446 -0.164 1.00 10.17 O ATOM 889 CB LEU A 56 8.737 1.656 -2.267 1.00 6.60 C ATOM 890 CG LEU A 56 7.278 1.129 -2.487 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.271 -0.378 -2.760 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.332 1.409 -1.306 1.00 8.64 C ATOM 0 H LEU A 56 8.085 3.394 -3.777 1.00 6.91 H new ATOM 0 HA LEU A 56 8.168 3.253 -0.955 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.292 1.552 -3.199 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.231 1.023 -1.530 1.00 6.60 H new ATOM 0 HG LEU A 56 6.908 1.681 -3.351 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.245 -0.716 -2.909 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.856 -0.588 -3.655 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.707 -0.904 -1.910 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.341 1.015 -1.532 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.718 0.926 -0.408 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.266 2.484 -1.140 1.00 8.64 H new ATOM 904 N SER A 57 11.057 3.716 -2.320 1.00 8.92 N ATOM 905 CA SER A 57 12.402 4.249 -2.094 1.00 9.00 C ATOM 906 C SER A 57 12.432 5.636 -1.376 1.00 9.44 C ATOM 907 O SER A 57 13.323 5.796 -0.521 1.00 10.91 O ATOM 908 CB SER A 57 13.231 4.322 -3.383 1.00 10.32 C ATOM 909 OG SER A 57 12.532 5.030 -4.418 1.00 13.59 O ATOM 0 H SER A 57 10.837 3.578 -3.306 1.00 8.92 H new ATOM 0 HA SER A 57 12.856 3.526 -1.417 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.180 4.817 -3.179 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.465 3.314 -3.724 1.00 10.32 H new ATOM 0 HG SER A 57 11.914 4.420 -4.872 1.00 13.59 H new ATOM 915 N ASP A 58 11.483 6.547 -1.599 1.00 9.11 N ATOM 916 CA ASP A 58 11.593 7.847 -0.920 1.00 7.91 C ATOM 917 C ASP A 58 11.485 7.735 0.594 1.00 9.12 C ATOM 918 O ASP A 58 12.187 8.338 1.364 1.00 8.61 O ATOM 919 CB ASP A 58 10.421 8.749 -1.483 1.00 8.41 C ATOM 920 CG ASP A 58 10.681 10.227 -1.368 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.571 10.828 -0.305 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.941 10.816 -2.441 1.00 11.70 O ATOM 0 H ASP A 58 10.673 6.426 -2.207 1.00 9.11 H new ATOM 0 HA ASP A 58 12.575 8.276 -1.117 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.255 8.500 -2.531 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.502 8.509 -0.949 1.00 8.41 H new ATOM 927 N TYR A 59 10.578 6.854 1.021 1.00 7.97 N ATOM 928 CA TYR A 59 10.351 6.518 2.441 1.00 8.45 C ATOM 929 C TYR A 59 11.345 5.583 3.000 1.00 10.98 C ATOM 930 O TYR A 59 11.389 5.377 4.223 1.00 12.95 O ATOM 931 CB TYR A 59 8.984 5.790 2.451 1.00 7.94 C ATOM 932 CG TYR A 59 7.840 6.738 2.134 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.218 7.676 3.106 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.170 6.516 0.914 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.091 8.410 2.666 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.101 7.273 0.561 1.00 6.52 C ATOM 937 CZ TYR A 59 5.583 8.261 1.385 1.00 6.76 C ATOM 938 OH TYR A 59 4.382 8.915 1.018 1.00 7.63 O ATOM 0 H TYR A 59 9.967 6.342 0.385 1.00 7.97 H new ATOM 0 HA TYR A 59 10.408 7.428 3.039 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.998 4.980 1.722 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.820 5.336 3.429 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.610 7.792 4.106 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.512 5.734 0.252 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.615 9.103 3.344 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.636 7.100 -0.398 1.00 6.52 H new ATOM 0 HH TYR A 59 4.493 9.884 1.117 1.00 7.63 H new ATOM 948 N ASN A 60 12.158 5.008 2.133 1.00 12.38 N ATOM 949 CA ASN A 60 13.173 4.033 2.418 1.00 13.94 C ATOM 950 C ASN A 60 12.451 2.806 3.025 1.00 14.16 C ATOM 951 O ASN A 60 12.831 2.206 4.076 1.00 14.26 O ATOM 952 CB ASN A 60 14.293 4.560 3.330 1.00 19.23 C ATOM 953 CG ASN A 60 15.258 5.546 2.747 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.186 6.665 3.222 1.00 25.45 O ATOM 955 ND2 ASN A 60 16.062 5.254 1.748 1.00 24.09 N ATOM 0 H ASN A 60 12.116 5.233 1.139 1.00 12.38 H new ATOM 0 HA ASN A 60 13.693 3.765 1.498 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.827 5.021 4.201 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.864 3.704 3.689 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.655 5.978 1.342 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.092 4.304 1.379 1.00 24.09 H new ATOM 962 N ILE A 61 11.446 2.291 2.332 1.00 11.08 N ATOM 963 CA ILE A 61 10.857 1.001 2.619 1.00 11.78 C ATOM 964 C ILE A 61 11.697 -0.138 1.969 1.00 13.74 C ATOM 965 O ILE A 61 11.934 -0.154 0.754 1.00 14.60 O ATOM 966 CB ILE A 61 9.443 0.963 2.176 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.515 2.016 2.858 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.884 -0.461 2.363 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.245 2.391 2.154 1.00 11.42 C ATOM 0 H ILE A 61 11.013 2.770 1.542 1.00 11.08 H new ATOM 0 HA ILE A 61 10.866 0.842 3.697 1.00 11.78 H new ATOM 0 HB ILE A 61 9.447 1.238 1.121 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.251 1.639 3.846 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.096 2.926 3.008 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.844 -0.489 2.037 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.470 -1.163 1.769 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.942 -0.740 3.415 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.706 3.130 2.746 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.481 2.811 1.176 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.624 1.504 2.027 1.00 11.42 H new ATOM 981 N GLN A 62 12.153 -1.038 2.848 1.00 13.97 N ATOM 982 CA GLN A 62 12.946 -2.251 2.529 1.00 15.52 C ATOM 983 C GLN A 62 12.111 -3.452 2.367 1.00 13.94 C ATOM 984 O GLN A 62 10.939 -3.513 2.697 1.00 12.15 O ATOM 985 CB GLN A 62 13.903 -2.500 3.715 1.00 19.53 C ATOM 986 CG GLN A 62 14.613 -1.232 4.254 1.00 26.38 C ATOM 987 CD GLN A 62 15.563 -1.742 5.327 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.407 -1.539 6.552 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.660 -2.328 4.866 1.00 32.71 N ATOM 0 H GLN A 62 11.976 -0.945 3.848 1.00 13.97 H new ATOM 0 HA GLN A 62 13.466 -2.078 1.587 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.340 -2.957 4.528 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.661 -3.221 3.407 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.153 -0.715 3.461 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.896 -0.522 4.666 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.771 -2.486 3.864 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.392 -2.621 5.513 1.00 32.71 H new ATOM 998 N LYS A 63 12.794 -4.491 1.920 1.00 11.73 N ATOM 999 CA LYS A 63 12.300 -5.819 1.996 1.00 11.97 C ATOM 1000 C LYS A 63 11.717 -6.376 3.319 1.00 10.41 C ATOM 1001 O LYS A 63 12.155 -6.141 4.452 1.00 9.59 O ATOM 1002 CB LYS A 63 13.326 -6.837 1.425 1.00 13.73 C ATOM 1003 CG LYS A 63 14.657 -6.960 2.135 1.00 16.98 C ATOM 1004 CD LYS A 63 15.438 -8.295 1.713 1.00 20.19 C ATOM 1005 CE LYS A 63 16.865 -8.411 2.239 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.770 -8.302 3.649 1.00 25.97 N ATOM 0 H LYS A 63 13.717 -4.416 1.492 1.00 11.73 H new ATOM 0 HA LYS A 63 11.405 -5.708 1.383 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.856 -7.820 1.418 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.522 -6.570 0.386 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.273 -6.091 1.905 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.495 -6.959 3.213 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.868 -9.155 2.064 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.464 -8.352 0.625 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.311 -9.362 1.950 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.498 -7.624 1.828 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.653 -8.639 4.083 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.612 -7.308 3.911 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.975 -8.880 3.989 1.00 25.97 H new ATOM 1020 N GLU A 64 10.711 -7.303 3.111 1.00 10.04 N ATOM 1021 CA GLU A 64 10.141 -7.948 4.231 1.00 10.94 C ATOM 1022 C GLU A 64 9.448 -6.998 5.214 1.00 9.74 C ATOM 1023 O GLU A 64 9.266 -7.231 6.427 1.00 9.42 O ATOM 1024 CB GLU A 64 10.954 -9.053 4.837 1.00 18.31 C ATOM 1025 CG GLU A 64 11.421 -10.070 3.808 1.00 24.16 C ATOM 1026 CD GLU A 64 12.026 -11.290 4.534 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.229 -12.035 5.193 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.252 -11.533 4.429 1.00 32.61 O ATOM 0 H GLU A 64 10.332 -7.572 2.203 1.00 10.04 H new ATOM 0 HA GLU A 64 9.314 -8.517 3.808 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.822 -8.626 5.340 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.361 -9.559 5.599 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.584 -10.382 3.183 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.162 -9.621 3.147 1.00 24.16 H new ATOM 1035 N SER A 65 8.964 -5.894 4.651 1.00 6.85 N ATOM 1036 CA SER A 65 8.232 -4.844 5.321 1.00 6.90 C ATOM 1037 C SER A 65 6.734 -5.141 5.507 1.00 4.72 C ATOM 1038 O SER A 65 6.204 -5.958 4.765 1.00 3.91 O ATOM 1039 CB SER A 65 8.371 -3.509 4.602 1.00 7.28 C ATOM 1040 OG SER A 65 9.565 -2.846 4.758 1.00 10.56 O ATOM 0 H SER A 65 9.084 -5.706 3.656 1.00 6.85 H new ATOM 0 HA SER A 65 8.688 -4.792 6.310 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.212 -3.678 3.537 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.570 -2.853 4.944 1.00 7.28 H new ATOM 0 HG SER A 65 9.990 -2.727 3.883 1.00 10.56 H new ATOM 1046 N THR A 66 6.109 -4.590 6.496 1.00 4.48 N ATOM 1047 CA THR A 66 4.732 -4.787 6.786 1.00 3.80 C ATOM 1048 C THR A 66 4.092 -3.468 6.538 1.00 4.60 C ATOM 1049 O THR A 66 4.524 -2.476 7.120 1.00 5.33 O ATOM 1050 CB THR A 66 4.429 -5.348 8.169 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.878 -6.695 8.201 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.924 -5.363 8.433 1.00 3.40 C ATOM 0 H THR A 66 6.570 -3.961 7.153 1.00 4.48 H new ATOM 0 HA THR A 66 4.327 -5.571 6.146 1.00 3.80 H new ATOM 0 HB THR A 66 4.922 -4.728 8.918 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.696 -7.080 9.084 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.733 -5.768 9.427 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.534 -4.347 8.374 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.430 -5.985 7.687 1.00 3.40 H new ATOM 1060 N LEU A 67 3.079 -3.396 5.668 1.00 4.17 N ATOM 1061 CA LEU A 67 2.260 -2.251 5.386 1.00 3.85 C ATOM 1062 C LEU A 67 0.797 -2.561 5.776 1.00 3.80 C ATOM 1063 O LEU A 67 0.531 -3.740 6.053 1.00 5.54 O ATOM 1064 CB LEU A 67 2.361 -2.002 3.874 1.00 7.18 C ATOM 1065 CG LEU A 67 3.584 -1.237 3.367 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.863 -2.189 3.329 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.279 -0.479 2.026 1.00 11.66 C ATOM 0 H LEU A 67 2.804 -4.205 5.111 1.00 4.17 H new ATOM 0 HA LEU A 67 2.585 -1.375 5.947 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.336 -2.969 3.371 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.470 -1.457 3.562 1.00 7.18 H new ATOM 0 HG LEU A 67 3.832 -0.444 4.072 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.724 -1.628 2.966 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.070 -2.561 4.333 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.671 -3.030 2.663 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.172 0.053 1.697 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.982 -1.197 1.262 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.471 0.234 2.187 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.119 -1.604 5.827 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.474 -1.775 6.234 1.00 4.17 C ATOM 1081 C HIS A 68 -2.539 -1.195 5.243 1.00 5.32 C ATOM 1082 O HIS A 68 -2.447 0.020 4.984 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.763 -1.166 7.636 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.743 -1.534 8.701 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.586 -0.994 8.798 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.841 -2.456 9.676 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.191 -1.674 9.829 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.362 -2.524 10.387 1.00 16.30 N ATOM 0 H HIS A 68 0.093 -0.640 5.568 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.579 -2.860 6.255 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.802 -0.080 7.546 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.749 -1.494 7.965 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.995 -0.259 8.222 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.717 -3.054 9.879 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.215 -1.527 10.139 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.547 -1.944 4.854 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.642 -1.571 3.953 1.00 3.97 C ATOM 1098 C LEU A 69 -5.781 -1.215 4.828 1.00 5.07 C ATOM 1099 O LEU A 69 -6.322 -2.000 5.647 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.919 -2.730 2.946 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.168 -2.542 1.987 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.318 -1.284 1.103 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.332 -3.758 1.077 1.00 9.96 C ATOM 0 H LEU A 69 -3.640 -2.907 5.179 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.415 -0.714 3.319 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.031 -2.867 2.329 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.058 -3.650 3.513 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.946 -2.408 2.739 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.239 -1.353 0.525 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.352 -0.397 1.735 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.468 -1.213 0.424 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.194 -3.612 0.426 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.435 -3.882 0.470 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.484 -4.650 1.685 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.172 -0.012 4.523 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.300 0.649 5.161 1.00 6.26 C ATOM 1117 C VAL A 70 -8.228 1.127 4.101 1.00 9.22 C ATOM 1118 O VAL A 70 -7.752 1.417 2.966 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.922 1.858 6.038 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.107 2.481 6.733 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.836 1.453 7.105 1.00 8.54 C ATOM 0 H VAL A 70 -5.714 0.558 3.811 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.751 -0.091 5.822 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.515 2.608 5.360 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.773 3.327 7.334 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.825 2.826 5.989 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.580 1.741 7.379 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.583 2.321 7.714 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.231 0.664 7.745 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.942 1.094 6.596 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.536 1.223 4.364 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.554 1.726 3.427 1.00 16.06 C ATOM 1133 C LEU A 71 -10.866 3.196 3.802 1.00 18.09 C ATOM 1134 O LEU A 71 -11.425 3.461 4.869 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.872 0.948 3.349 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.767 -0.526 2.811 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.102 -1.186 2.602 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.098 -0.531 1.379 1.00 19.57 C ATOM 0 H LEU A 71 -9.931 0.945 5.262 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.112 1.607 2.438 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.315 0.920 4.345 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.560 1.500 2.709 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.194 -1.060 3.569 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.953 -2.200 2.230 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.642 -1.222 3.548 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.681 -0.615 1.876 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.029 -1.555 1.013 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.704 0.059 0.692 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.099 -0.100 1.443 1.00 19.57 H new