USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0046 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 1.41 (180deg=0.813) USER MOD Single : A 2 GLN : amide:sc= 0.191 X(o=0.19,f=-0.035) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.02 (180deg=-0.0592!) USER MOD Single : A 12 THR OG1 : rot 170:sc= -0.297 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.229 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 25 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.001) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0674 (180deg=-0.346) USER MOD Single : A 31 GLN : amide:sc= -1.03 K(o=-1,f=-2.4!) 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) USER MOD Single : A 41 GLN : amide:sc= 0.464 K(o=0.46,f=-1) 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=-0.22) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 1.04 USER MOD Single : A 60 ASN : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.043) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 91:sc= 1.05 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.023 1.611 -4.305 1.00 9.67 N ATOM 2 CA MET A 1 -13.105 2.313 -3.005 1.00 10.38 C ATOM 3 C MET A 1 -11.789 2.999 -2.869 1.00 9.62 C ATOM 4 O MET A 1 -10.907 2.867 -3.716 1.00 9.62 O ATOM 5 CB MET A 1 -13.442 1.315 -1.885 1.00 13.77 C ATOM 6 CG MET A 1 -12.453 0.163 -1.701 1.00 16.29 C ATOM 7 SD MET A 1 -10.986 0.536 -0.693 1.00 17.17 S ATOM 8 CE MET A 1 -10.659 -1.162 -0.137 1.00 16.11 C ATOM 0 H1 MET A 1 -13.509 0.694 -4.236 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.477 2.189 -5.041 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.025 1.456 -4.553 1.00 9.67 H new ATOM 0 HA MET A 1 -13.905 3.051 -2.940 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.512 1.863 -0.945 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.428 0.895 -2.083 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.981 -0.675 -1.245 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.120 -0.167 -2.685 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.781 -1.171 0.509 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.521 -1.536 0.416 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.479 -1.800 -1.002 1.00 16.11 H new ATOM 20 N GLN A 2 -11.552 3.723 -1.760 1.00 9.27 N ATOM 21 CA GLN A 2 -10.255 4.284 -1.542 1.00 9.07 C ATOM 22 C GLN A 2 -9.508 3.736 -0.375 1.00 8.72 C ATOM 23 O GLN A 2 -10.111 3.278 0.595 1.00 8.22 O ATOM 24 CB GLN A 2 -10.245 5.822 -1.577 1.00 14.46 C ATOM 25 CG GLN A 2 -10.847 6.386 -0.288 1.00 17.01 C ATOM 26 CD GLN A 2 -11.277 7.846 -0.318 1.00 20.10 C ATOM 27 OE1 GLN A 2 -12.052 8.182 -1.212 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.780 8.673 0.640 1.00 19.49 N ATOM 0 H GLN A 2 -12.239 3.917 -1.031 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.687 3.943 -2.407 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.224 6.183 -1.698 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.813 6.177 -2.437 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.714 5.781 -0.024 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.117 6.262 0.512 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.140 8.309 1.346 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.047 9.657 0.653 1.00 19.49 H new ATOM 37 N ILE A 3 -8.178 3.934 -0.406 1.00 5.87 N ATOM 38 CA ILE A 3 -7.288 3.686 0.685 1.00 5.07 C ATOM 39 C ILE A 3 -6.414 4.891 0.762 1.00 4.01 C ATOM 40 O ILE A 3 -6.169 5.735 -0.099 1.00 4.61 O ATOM 41 CB ILE A 3 -6.495 2.415 0.615 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.662 2.370 -0.677 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.398 1.186 0.809 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.760 1.163 -0.934 1.00 10.83 C ATOM 0 H ILE A 3 -7.699 4.285 -1.235 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.875 3.526 1.589 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.784 2.392 1.441 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.352 2.450 -1.517 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.034 3.260 -0.695 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.795 0.279 0.753 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.882 1.241 1.784 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.157 1.166 0.027 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.245 1.290 -1.886 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.026 1.080 -0.132 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.365 0.257 -0.967 1.00 10.83 H new ATOM 56 N PHE A 4 -5.921 5.092 1.997 1.00 4.55 N ATOM 57 CA PHE A 4 -5.009 6.108 2.423 1.00 4.68 C ATOM 58 C PHE A 4 -3.741 5.352 2.626 1.00 5.30 C ATOM 59 O PHE A 4 -3.447 4.644 3.587 1.00 5.58 O ATOM 60 CB PHE A 4 -5.481 6.764 3.731 1.00 4.83 C ATOM 61 CG PHE A 4 -6.754 7.518 3.558 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.926 8.614 2.746 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.831 7.109 4.308 1.00 6.69 C ATOM 64 CE1 PHE A 4 -8.058 9.394 2.794 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.996 7.839 4.331 1.00 9.10 C ATOM 66 CZ PHE A 4 -9.122 8.964 3.551 1.00 8.90 C ATOM 0 H PHE A 4 -6.188 4.483 2.770 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.912 6.927 1.710 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.617 5.995 4.492 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.708 7.440 4.096 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.145 8.872 2.046 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.761 6.201 4.888 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -8.110 10.325 2.248 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.814 7.528 4.963 1.00 9.10 H new ATOM 0 HZ PHE A 4 -10.054 9.509 3.533 1.00 8.90 H new ATOM 76 N VAL A 5 -2.829 5.548 1.657 1.00 4.44 N ATOM 77 CA VAL A 5 -1.490 5.059 1.769 1.00 3.87 C ATOM 78 C VAL A 5 -0.525 6.109 2.203 1.00 4.93 C ATOM 79 O VAL A 5 -0.296 7.086 1.492 1.00 6.84 O ATOM 80 CB VAL A 5 -1.006 4.495 0.466 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.416 3.935 0.641 1.00 5.28 C ATOM 82 CG2 VAL A 5 -2.045 3.554 -0.167 1.00 9.13 C ATOM 0 H VAL A 5 -3.021 6.049 0.790 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.529 4.280 2.531 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.909 5.281 -0.282 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.765 3.526 -0.307 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.085 4.734 0.960 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.407 3.147 1.395 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.658 3.166 -1.109 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.246 2.725 0.512 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.968 4.103 -0.353 1.00 9.13 H new ATOM 92 N LYS A 6 -0.112 6.020 3.480 1.00 6.04 N ATOM 93 CA LYS A 6 0.738 6.993 4.093 1.00 6.12 C ATOM 94 C LYS A 6 2.169 6.582 4.035 1.00 6.57 C ATOM 95 O LYS A 6 2.593 5.494 4.421 1.00 5.76 O ATOM 96 CB LYS A 6 0.387 7.326 5.553 1.00 7.45 C ATOM 97 CG LYS A 6 -0.979 8.003 5.675 1.00 11.12 C ATOM 98 CD LYS A 6 -1.290 8.723 6.988 1.00 14.54 C ATOM 99 CE LYS A 6 -2.704 9.307 7.019 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.991 10.057 8.263 1.00 20.55 N ATOM 0 H LYS A 6 -0.375 5.254 4.101 1.00 6.04 H new ATOM 0 HA LYS A 6 0.570 7.896 3.505 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.392 6.411 6.145 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.154 7.979 5.970 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.071 8.726 4.864 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.746 7.245 5.516 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.171 8.026 7.817 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.567 9.524 7.139 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.837 9.969 6.163 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.428 8.499 6.913 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.962 10.429 8.228 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.893 9.423 9.081 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.321 10.847 8.355 1.00 20.55 H new ATOM 114 N THR A 7 3.072 7.447 3.540 1.00 7.41 N ATOM 115 CA THR A 7 4.445 7.140 3.284 1.00 7.48 C ATOM 116 C THR A 7 5.316 7.224 4.490 1.00 8.75 C ATOM 117 O THR A 7 4.851 7.484 5.598 1.00 8.58 O ATOM 118 CB THR A 7 5.044 7.993 2.205 1.00 9.61 C ATOM 119 OG1 THR A 7 5.322 9.343 2.546 1.00 11.78 O ATOM 120 CG2 THR A 7 4.131 7.951 0.967 1.00 9.17 C ATOM 0 H THR A 7 2.832 8.410 3.306 1.00 7.41 H new ATOM 0 HA THR A 7 4.416 6.102 2.951 1.00 7.48 H new ATOM 0 HB THR A 7 6.024 7.556 2.014 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.710 9.803 1.772 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.559 8.569 0.178 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.042 6.923 0.615 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.144 8.331 1.230 1.00 9.17 H new ATOM 128 N LEU A 8 6.638 6.985 4.436 1.00 9.84 N ATOM 129 CA LEU A 8 7.401 7.014 5.645 1.00 14.15 C ATOM 130 C LEU A 8 7.637 8.404 6.126 1.00 17.37 C ATOM 131 O LEU A 8 7.389 8.721 7.288 1.00 17.01 O ATOM 132 CB LEU A 8 8.737 6.274 5.460 1.00 16.63 C ATOM 133 CG LEU A 8 9.582 5.957 6.705 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.837 5.055 7.703 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.809 5.179 6.198 1.00 19.31 C ATOM 0 H LEU A 8 7.165 6.778 3.587 1.00 9.84 H new ATOM 0 HA LEU A 8 6.815 6.501 6.408 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.526 5.332 4.955 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.353 6.867 4.784 1.00 16.63 H new ATOM 0 HG LEU A 8 9.830 6.886 7.219 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.476 4.860 8.564 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.925 5.553 8.033 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.581 4.112 7.220 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.452 4.924 7.041 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.481 4.266 5.702 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.365 5.796 5.492 1.00 19.31 H new ATOM 147 N THR A 9 8.086 9.308 5.237 1.00 18.33 N ATOM 148 CA THR A 9 8.401 10.679 5.495 1.00 19.24 C ATOM 149 C THR A 9 7.254 11.586 5.779 1.00 19.48 C ATOM 150 O THR A 9 7.287 12.592 6.487 1.00 23.14 O ATOM 151 CB THR A 9 9.087 11.387 4.364 1.00 18.97 C ATOM 152 OG1 THR A 9 8.452 11.110 3.125 1.00 20.24 O ATOM 153 CG2 THR A 9 10.568 10.970 4.387 1.00 19.70 C ATOM 0 H THR A 9 8.241 9.059 4.260 1.00 18.33 H new ATOM 0 HA THR A 9 9.030 10.535 6.373 1.00 19.24 H new ATOM 0 HB THR A 9 9.020 12.468 4.484 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.918 11.585 2.405 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.099 11.468 3.575 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.012 11.257 5.340 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.644 9.890 4.262 1.00 19.70 H new ATOM 161 N GLY A 10 6.069 11.182 5.287 1.00 19.43 N ATOM 162 CA GLY A 10 4.878 11.875 5.668 1.00 18.74 C ATOM 163 C GLY A 10 4.221 12.479 4.475 1.00 17.62 C ATOM 164 O GLY A 10 4.218 13.692 4.269 1.00 19.74 O ATOM 0 H GLY A 10 5.936 10.400 4.645 1.00 19.43 H new ATOM 0 HA2 GLY A 10 4.191 11.186 6.159 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.119 12.654 6.391 1.00 18.74 H new ATOM 168 N LYS A 11 3.549 11.643 3.664 1.00 13.56 N ATOM 169 CA LYS A 11 2.700 12.081 2.600 1.00 11.91 C ATOM 170 C LYS A 11 1.575 11.106 2.650 1.00 10.18 C ATOM 171 O LYS A 11 1.797 9.909 2.828 1.00 9.10 O ATOM 172 CB LYS A 11 3.458 11.883 1.276 1.00 13.43 C ATOM 173 CG LYS A 11 2.805 12.424 0.002 1.00 16.69 C ATOM 174 CD LYS A 11 3.793 12.353 -1.164 1.00 17.92 C ATOM 175 CE LYS A 11 3.272 13.120 -2.381 1.00 20.81 C ATOM 176 NZ LYS A 11 4.097 13.022 -3.605 1.00 21.93 N ATOM 0 H LYS A 11 3.598 10.628 3.752 1.00 13.56 H new ATOM 0 HA LYS A 11 2.384 13.121 2.679 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.438 12.349 1.376 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.626 10.815 1.141 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.911 11.845 -0.232 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.486 13.455 0.157 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.754 12.766 -0.855 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.966 11.311 -1.434 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.269 12.760 -2.612 1.00 20.81 H new ATOM 0 HE3 LYS A 11 3.179 14.172 -2.111 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.511 13.238 -4.437 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.883 13.701 -3.549 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.478 12.058 -3.691 1.00 21.93 H new ATOM 190 N THR A 12 0.333 11.589 2.466 1.00 9.63 N ATOM 191 CA THR A 12 -0.859 10.801 2.401 1.00 9.85 C ATOM 192 C THR A 12 -1.361 10.723 1.000 1.00 11.66 C ATOM 193 O THR A 12 -1.879 11.692 0.446 1.00 12.33 O ATOM 194 CB THR A 12 -1.984 11.403 3.189 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.707 11.358 4.581 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.272 10.575 3.042 1.00 9.63 C ATOM 0 H THR A 12 0.151 12.587 2.356 1.00 9.63 H new ATOM 0 HA THR A 12 -0.584 9.825 2.801 1.00 9.85 H new ATOM 0 HB THR A 12 -2.097 12.420 2.813 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.370 11.895 5.064 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.070 11.036 3.625 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.564 10.539 1.992 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.097 9.562 3.405 1.00 9.63 H new ATOM 204 N ILE A 13 -1.138 9.560 0.363 1.00 10.42 N ATOM 205 CA ILE A 13 -1.609 9.289 -0.960 1.00 11.84 C ATOM 206 C ILE A 13 -2.941 8.624 -0.891 1.00 10.55 C ATOM 207 O ILE A 13 -3.055 7.610 -0.205 1.00 11.92 O ATOM 208 CB ILE A 13 -0.570 8.479 -1.677 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.779 9.211 -1.779 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.102 8.265 -3.104 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.857 8.128 -1.746 1.00 16.46 C ATOM 0 H ILE A 13 -0.617 8.788 0.778 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.757 10.207 -1.528 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.399 7.551 -1.131 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.838 9.791 -2.700 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.905 9.911 -0.953 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -0.383 7.678 -3.676 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.053 7.734 -3.062 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.247 9.231 -3.587 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.841 8.592 -1.816 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.784 7.570 -0.812 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.716 7.448 -2.587 1.00 16.46 H new ATOM 223 N THR A 14 -3.964 9.287 -1.459 1.00 9.39 N ATOM 224 CA THR A 14 -5.277 8.719 -1.462 1.00 9.63 C ATOM 225 C THR A 14 -5.335 8.065 -2.800 1.00 11.20 C ATOM 226 O THR A 14 -5.235 8.713 -3.841 1.00 11.63 O ATOM 227 CB THR A 14 -6.437 9.668 -1.425 1.00 10.38 C ATOM 228 OG1 THR A 14 -6.423 10.332 -0.169 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.747 8.864 -1.497 1.00 11.66 C ATOM 0 H THR A 14 -3.886 10.199 -1.908 1.00 9.39 H new ATOM 0 HA THR A 14 -5.385 8.110 -0.565 1.00 9.63 H new ATOM 0 HB THR A 14 -6.368 10.371 -2.255 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.866 9.772 0.502 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.595 9.548 -1.471 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.772 8.291 -2.424 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.803 8.183 -0.648 1.00 11.66 H new ATOM 237 N LEU A 15 -5.595 6.746 -2.819 1.00 8.29 N ATOM 238 CA LEU A 15 -5.599 5.987 -4.031 1.00 9.03 C ATOM 239 C LEU A 15 -6.852 5.199 -4.203 1.00 8.59 C ATOM 240 O LEU A 15 -7.451 4.753 -3.227 1.00 7.79 O ATOM 241 CB LEU A 15 -4.473 4.954 -3.858 1.00 11.08 C ATOM 242 CG LEU A 15 -4.091 4.102 -5.080 1.00 15.79 C ATOM 243 CD1 LEU A 15 -3.625 5.073 -6.178 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.965 3.136 -4.674 1.00 15.88 C ATOM 0 H LEU A 15 -5.805 6.199 -1.984 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.492 6.661 -4.881 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.580 5.484 -3.526 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.760 4.277 -3.053 1.00 11.08 H new ATOM 0 HG LEU A 15 -4.929 3.509 -5.447 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -3.343 4.509 -7.067 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -4.435 5.759 -6.425 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.766 5.641 -5.821 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.683 2.525 -5.531 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.100 3.707 -4.336 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.312 2.491 -3.867 1.00 15.88 H new ATOM 256 N GLU A 16 -7.278 5.018 -5.466 1.00 11.04 N ATOM 257 CA GLU A 16 -8.461 4.252 -5.711 1.00 11.50 C ATOM 258 C GLU A 16 -8.068 2.851 -6.029 1.00 10.13 C ATOM 259 O GLU A 16 -7.289 2.704 -6.969 1.00 9.83 O ATOM 260 CB GLU A 16 -9.336 4.849 -6.826 1.00 17.22 C ATOM 261 CG GLU A 16 -10.084 6.077 -6.304 1.00 23.33 C ATOM 262 CD GLU A 16 -11.052 6.589 -7.361 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.055 5.992 -8.470 1.00 28.90 O ATOM 264 OE2 GLU A 16 -11.844 7.505 -7.013 1.00 28.86 O ATOM 0 H GLU A 16 -6.819 5.390 -6.297 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.074 4.272 -4.810 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.715 5.126 -7.678 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.048 4.103 -7.180 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.628 5.822 -5.395 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.373 6.860 -6.041 1.00 23.33 H new ATOM 271 N VAL A 17 -8.577 1.876 -5.255 1.00 8.99 N ATOM 272 CA VAL A 17 -8.394 0.463 -5.378 1.00 8.85 C ATOM 273 C VAL A 17 -9.726 -0.205 -5.380 1.00 8.04 C ATOM 274 O VAL A 17 -10.791 0.343 -5.101 1.00 8.99 O ATOM 275 CB VAL A 17 -7.534 -0.079 -4.275 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.089 0.414 -4.461 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.040 0.347 -2.887 1.00 10.54 C ATOM 0 H VAL A 17 -9.178 2.104 -4.463 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.880 0.259 -6.317 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.576 -1.167 -4.328 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.464 0.020 -3.659 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.707 0.068 -5.422 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.070 1.503 -4.434 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.387 -0.068 -2.119 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.037 1.435 -2.817 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.055 -0.023 -2.740 1.00 10.54 H new ATOM 287 N GLU A 18 -9.786 -1.502 -5.730 1.00 7.29 N ATOM 288 CA GLU A 18 -10.935 -2.300 -5.433 1.00 7.08 C ATOM 289 C GLU A 18 -10.416 -3.159 -4.332 1.00 6.45 C ATOM 290 O GLU A 18 -9.219 -3.424 -4.430 1.00 5.28 O ATOM 291 CB GLU A 18 -11.300 -3.084 -6.705 1.00 10.28 C ATOM 292 CG GLU A 18 -11.983 -2.206 -7.755 1.00 12.65 C ATOM 293 CD GLU A 18 -12.308 -3.092 -8.949 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.366 -3.528 -9.662 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.513 -3.324 -9.237 1.00 18.17 O ATOM 0 H GLU A 18 -9.040 -1.998 -6.218 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.844 -1.775 -5.139 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.397 -3.520 -7.132 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.960 -3.911 -6.442 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.891 -1.760 -7.350 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.330 -1.386 -8.053 1.00 12.65 H new ATOM 302 N PRO A 19 -11.080 -3.729 -3.370 1.00 7.24 N ATOM 303 CA PRO A 19 -10.579 -4.560 -2.315 1.00 7.07 C ATOM 304 C PRO A 19 -10.180 -5.833 -2.979 1.00 6.65 C ATOM 305 O PRO A 19 -9.519 -6.646 -2.335 1.00 6.37 O ATOM 306 CB PRO A 19 -11.739 -4.614 -1.323 1.00 7.61 C ATOM 307 CG PRO A 19 -13.018 -4.397 -2.147 1.00 8.16 C ATOM 308 CD PRO A 19 -12.481 -3.390 -3.177 1.00 7.49 C ATOM 0 HA PRO A 19 -9.699 -4.236 -1.759 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -11.766 -5.574 -0.808 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.633 -3.845 -0.558 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.382 -5.315 -2.608 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.837 -3.993 -1.552 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.032 -3.458 -4.115 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.590 -2.367 -2.817 1.00 7.49 H new ATOM 316 N SER A 20 -10.561 -6.098 -4.242 1.00 6.80 N ATOM 317 CA SER A 20 -10.153 -7.167 -5.100 1.00 6.28 C ATOM 318 C SER A 20 -8.880 -6.917 -5.831 1.00 8.45 C ATOM 319 O SER A 20 -8.438 -7.753 -6.618 1.00 7.26 O ATOM 320 CB SER A 20 -11.343 -7.578 -5.983 1.00 8.57 C ATOM 321 OG SER A 20 -11.815 -6.629 -6.928 1.00 11.13 O ATOM 0 H SER A 20 -11.232 -5.491 -4.712 1.00 6.80 H new ATOM 0 HA SER A 20 -9.883 -8.025 -4.484 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.064 -8.482 -6.524 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.173 -7.842 -5.328 1.00 8.57 H new ATOM 0 HG SER A 20 -12.569 -7.010 -7.425 1.00 11.13 H new ATOM 327 N ASP A 21 -8.122 -5.876 -5.443 1.00 7.50 N ATOM 328 CA ASP A 21 -6.852 -5.592 -6.036 1.00 7.70 C ATOM 329 C ASP A 21 -5.846 -6.277 -5.176 1.00 7.08 C ATOM 330 O ASP A 21 -5.954 -6.340 -3.952 1.00 8.11 O ATOM 331 CB ASP A 21 -6.436 -4.125 -6.230 1.00 11.00 C ATOM 332 CG ASP A 21 -7.236 -3.665 -7.440 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.781 -4.543 -8.162 1.00 14.36 O ATOM 334 OD2 ASP A 21 -7.249 -2.464 -7.818 1.00 18.03 O ATOM 0 H ASP A 21 -8.394 -5.223 -4.708 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.921 -5.944 -7.065 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.667 -3.526 -5.349 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.364 -4.035 -6.404 1.00 11.00 H new ATOM 339 N THR A 22 -4.770 -6.762 -5.821 1.00 5.37 N ATOM 340 CA THR A 22 -3.735 -7.532 -5.203 1.00 6.01 C ATOM 341 C THR A 22 -2.717 -6.565 -4.703 1.00 8.01 C ATOM 342 O THR A 22 -2.724 -5.400 -5.096 1.00 8.11 O ATOM 343 CB THR A 22 -3.150 -8.543 -6.143 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.650 -7.911 -7.313 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.170 -9.638 -6.495 1.00 9.65 C ATOM 0 H THR A 22 -4.614 -6.611 -6.818 1.00 5.37 H new ATOM 0 HA THR A 22 -4.135 -8.118 -4.376 1.00 6.01 H new ATOM 0 HB THR A 22 -2.315 -9.027 -5.637 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.271 -8.587 -7.913 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.714 -10.354 -7.178 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.481 -10.151 -5.585 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.040 -9.186 -6.972 1.00 9.65 H new ATOM 353 N ILE A 23 -1.752 -7.009 -3.877 1.00 8.32 N ATOM 354 CA ILE A 23 -0.879 -6.030 -3.309 1.00 9.92 C ATOM 355 C ILE A 23 0.254 -5.584 -4.167 1.00 10.01 C ATOM 356 O ILE A 23 0.639 -4.419 -4.250 1.00 8.71 O ATOM 357 CB ILE A 23 -0.275 -6.486 -2.013 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.280 -6.908 -0.928 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.628 -5.475 -1.286 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.410 -5.933 -0.603 1.00 12.30 C ATOM 0 H ILE A 23 -1.581 -7.980 -3.615 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.555 -5.186 -3.175 1.00 9.92 H new ATOM 0 HB ILE A 23 0.300 -7.328 -2.399 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -1.728 -7.854 -1.232 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -0.725 -7.099 -0.010 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.004 -5.920 -0.365 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.467 -5.209 -1.929 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.054 -4.579 -1.049 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.043 -6.356 0.177 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.988 -4.990 -0.256 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.007 -5.756 -1.498 1.00 12.30 H new ATOM 372 N GLU A 24 0.631 -6.542 -5.032 1.00 9.54 N ATOM 373 CA GLU A 24 1.297 -6.378 -6.287 1.00 11.81 C ATOM 374 C GLU A 24 0.652 -5.333 -7.131 1.00 11.14 C ATOM 375 O GLU A 24 1.357 -4.441 -7.599 1.00 10.62 O ATOM 376 CB GLU A 24 1.454 -7.695 -7.066 1.00 19.24 C ATOM 377 CG GLU A 24 2.242 -7.525 -8.366 1.00 27.76 C ATOM 378 CD GLU A 24 2.729 -8.845 -8.945 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.918 -9.610 -9.533 1.00 36.51 O ATOM 380 OE2 GLU A 24 3.920 -9.119 -8.636 1.00 34.80 O ATOM 0 H GLU A 24 0.451 -7.526 -4.831 1.00 9.54 H new ATOM 0 HA GLU A 24 2.303 -6.038 -6.040 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.957 -8.427 -6.435 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.467 -8.096 -7.295 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.614 -7.022 -9.101 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.099 -6.877 -8.182 1.00 27.76 H new ATOM 387 N ASN A 25 -0.673 -5.334 -7.363 1.00 9.43 N ATOM 388 CA ASN A 25 -1.377 -4.236 -7.950 1.00 10.96 C ATOM 389 C ASN A 25 -1.325 -2.916 -7.261 1.00 9.68 C ATOM 390 O ASN A 25 -1.167 -1.879 -7.903 1.00 9.33 O ATOM 391 CB ASN A 25 -2.853 -4.551 -8.245 1.00 16.78 C ATOM 392 CG ASN A 25 -3.205 -5.603 -9.287 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.354 -5.995 -9.484 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.167 -6.114 -10.002 1.00 24.70 N ATOM 0 H ASN A 25 -1.274 -6.125 -7.134 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.796 -4.120 -8.865 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.315 -4.855 -7.306 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.331 -3.619 -8.548 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.338 -6.829 -10.709 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -1.218 -5.782 -9.831 1.00 24.70 H new ATOM 401 N VAL A 26 -1.664 -2.866 -5.960 1.00 6.52 N ATOM 402 CA VAL A 26 -1.475 -1.700 -5.155 1.00 5.53 C ATOM 403 C VAL A 26 -0.123 -1.075 -5.195 1.00 4.42 C ATOM 404 O VAL A 26 0.027 0.140 -5.309 1.00 3.40 O ATOM 405 CB VAL A 26 -1.912 -1.902 -3.735 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.910 -0.538 -3.023 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.380 -2.360 -3.717 1.00 8.12 C ATOM 0 H VAL A 26 -2.078 -3.652 -5.458 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.132 -0.978 -5.640 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.249 -2.626 -3.262 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.226 -0.667 -1.988 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.905 -0.117 -3.046 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.598 0.138 -3.530 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.702 -2.508 -2.686 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.004 -1.600 -4.187 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.475 -3.297 -4.265 1.00 8.12 H new ATOM 417 N LYS A 27 0.925 -1.917 -5.254 1.00 2.64 N ATOM 418 CA LYS A 27 2.277 -1.487 -5.431 1.00 4.14 C ATOM 419 C LYS A 27 2.558 -0.910 -6.776 1.00 5.58 C ATOM 420 O LYS A 27 3.263 0.096 -6.831 1.00 4.11 O ATOM 421 CB LYS A 27 3.361 -2.517 -5.070 1.00 3.97 C ATOM 422 CG LYS A 27 3.462 -2.908 -3.595 1.00 7.45 C ATOM 423 CD LYS A 27 4.507 -4.007 -3.393 1.00 9.02 C ATOM 424 CE LYS A 27 4.863 -4.307 -1.936 1.00 12.90 C ATOM 425 NZ LYS A 27 5.558 -5.602 -1.759 1.00 15.47 N ATOM 0 H LYS A 27 0.828 -2.929 -5.176 1.00 2.64 H new ATOM 0 HA LYS A 27 2.348 -0.692 -4.689 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.181 -3.421 -5.652 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.327 -2.122 -5.386 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.728 -2.034 -3.000 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.491 -3.253 -3.239 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.142 -4.923 -3.857 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.417 -3.723 -3.922 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.496 -3.507 -1.552 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.951 -4.307 -1.339 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.772 -5.747 -0.751 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.947 -6.373 -2.098 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.444 -5.598 -2.304 1.00 15.47 H new ATOM 439 N ALA A 28 2.015 -1.536 -7.835 1.00 6.61 N ATOM 440 CA ALA A 28 2.062 -1.085 -9.191 1.00 7.74 C ATOM 441 C ALA A 28 1.547 0.268 -9.542 1.00 9.17 C ATOM 442 O ALA A 28 2.142 0.955 -10.372 1.00 11.45 O ATOM 443 CB ALA A 28 1.432 -2.069 -10.191 1.00 7.68 C ATOM 0 H ALA A 28 1.509 -2.416 -7.736 1.00 6.61 H new ATOM 0 HA ALA A 28 3.147 -1.020 -9.277 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.504 -1.660 -11.199 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.961 -3.021 -10.147 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.384 -2.225 -9.937 1.00 7.68 H new ATOM 449 N LYS A 29 0.446 0.629 -8.860 1.00 8.96 N ATOM 450 CA LYS A 29 -0.196 1.905 -8.799 1.00 7.90 C ATOM 451 C LYS A 29 0.675 2.968 -8.224 1.00 6.92 C ATOM 452 O LYS A 29 0.803 4.090 -8.711 1.00 6.87 O ATOM 453 CB LYS A 29 -1.567 1.883 -8.102 1.00 10.28 C ATOM 454 CG LYS A 29 -2.661 0.987 -8.686 1.00 14.94 C ATOM 455 CD LYS A 29 -3.862 0.773 -7.763 1.00 19.69 C ATOM 456 CE LYS A 29 -5.099 0.142 -8.405 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.563 0.933 -9.567 1.00 24.98 N ATOM 0 H LYS A 29 -0.048 -0.055 -8.287 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.383 2.158 -9.843 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.409 1.583 -7.066 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.948 2.904 -8.084 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.010 1.424 -9.622 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.228 0.017 -8.929 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.548 0.143 -6.931 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.148 1.737 -7.342 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.868 -0.875 -8.723 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.898 0.071 -7.667 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.533 0.652 -9.813 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.546 1.945 -9.327 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.936 0.759 -10.378 1.00 24.98 H new ATOM 471 N ILE A 30 1.318 2.652 -7.086 1.00 4.57 N ATOM 472 CA ILE A 30 2.120 3.639 -6.432 1.00 5.58 C ATOM 473 C ILE A 30 3.347 3.869 -7.245 1.00 7.26 C ATOM 474 O ILE A 30 3.826 4.987 -7.428 1.00 9.46 O ATOM 475 CB ILE A 30 2.403 3.183 -5.031 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.095 3.047 -4.233 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.241 4.291 -4.371 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.216 2.282 -2.916 1.00 2.00 C ATOM 0 H ILE A 30 1.286 1.741 -6.629 1.00 4.57 H new ATOM 0 HA ILE A 30 1.605 4.597 -6.353 1.00 5.58 H new ATOM 0 HB ILE A 30 2.912 2.219 -5.045 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.711 4.045 -4.022 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.356 2.547 -4.859 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.475 4.008 -3.345 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.167 4.429 -4.930 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.676 5.223 -4.370 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.242 2.240 -2.429 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.566 1.269 -3.114 1.00 2.00 H new ATOM 0 HD13 ILE A 30 1.927 2.790 -2.264 1.00 2.00 H new ATOM 490 N GLN A 31 3.908 2.839 -7.904 1.00 7.06 N ATOM 491 CA GLN A 31 4.958 2.958 -8.867 1.00 8.67 C ATOM 492 C GLN A 31 4.587 3.758 -10.068 1.00 10.90 C ATOM 493 O GLN A 31 5.274 4.703 -10.453 1.00 9.63 O ATOM 494 CB GLN A 31 5.481 1.564 -9.252 1.00 9.12 C ATOM 495 CG GLN A 31 6.677 1.476 -10.202 1.00 10.76 C ATOM 496 CD GLN A 31 6.800 0.036 -10.679 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.949 -0.838 -10.524 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.963 -0.281 -11.309 1.00 14.76 N ATOM 0 H GLN A 31 3.613 1.874 -7.757 1.00 7.06 H new ATOM 0 HA GLN A 31 5.760 3.522 -8.390 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.748 1.043 -8.332 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.656 1.012 -9.703 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.539 2.147 -11.050 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.590 1.788 -9.694 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.680 0.432 -11.446 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.119 -1.232 -11.645 1.00 14.76 H new ATOM 507 N ASP A 32 3.407 3.491 -10.655 1.00 10.93 N ATOM 508 CA ASP A 32 2.792 4.392 -11.580 1.00 14.01 C ATOM 509 C ASP A 32 2.668 5.826 -11.198 1.00 14.04 C ATOM 510 O ASP A 32 3.196 6.722 -11.856 1.00 13.39 O ATOM 511 CB ASP A 32 1.437 3.891 -12.108 1.00 18.01 C ATOM 512 CG ASP A 32 1.134 4.199 -13.568 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.899 3.859 -14.510 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.039 4.772 -13.811 1.00 25.17 O ATOM 0 H ASP A 32 2.872 2.639 -10.486 1.00 10.93 H new ATOM 0 HA ASP A 32 3.544 4.382 -12.369 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.392 2.811 -11.968 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.648 4.325 -11.494 1.00 18.01 H new ATOM 519 N LYS A 33 1.988 6.167 -10.090 1.00 14.22 N ATOM 520 CA LYS A 33 1.744 7.484 -9.588 1.00 14.00 C ATOM 521 C LYS A 33 2.920 8.199 -9.018 1.00 12.37 C ATOM 522 O LYS A 33 3.359 9.220 -9.544 1.00 12.17 O ATOM 523 CB LYS A 33 0.591 7.404 -8.574 1.00 18.62 C ATOM 524 CG LYS A 33 -0.833 7.105 -9.047 1.00 24.00 C ATOM 525 CD LYS A 33 -1.507 8.315 -9.697 1.00 27.61 C ATOM 526 CE LYS A 33 -2.888 8.094 -10.318 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.570 9.376 -10.604 1.00 30.06 N ATOM 0 H LYS A 33 1.571 5.454 -9.491 1.00 14.22 H new ATOM 0 HA LYS A 33 1.482 8.098 -10.450 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.856 6.639 -7.844 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.562 8.355 -8.043 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.809 6.281 -9.760 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.431 6.774 -8.198 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.596 9.098 -8.944 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.844 8.695 -10.474 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.785 7.523 -11.240 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.501 7.499 -9.641 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -4.503 9.187 -11.024 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.690 9.910 -9.720 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.997 9.933 -11.270 1.00 30.06 H new ATOM 541 N GLU A 34 3.436 7.700 -7.880 1.00 10.11 N ATOM 542 CA GLU A 34 4.451 8.364 -7.123 1.00 10.07 C ATOM 543 C GLU A 34 5.838 8.085 -7.590 1.00 9.32 C ATOM 544 O GLU A 34 6.777 8.868 -7.458 1.00 11.61 O ATOM 545 CB GLU A 34 4.418 7.918 -5.651 1.00 14.77 C ATOM 546 CG GLU A 34 3.244 8.612 -4.959 1.00 18.75 C ATOM 547 CD GLU A 34 3.372 10.110 -4.721 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.490 10.682 -4.825 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.343 10.788 -4.461 1.00 21.95 O ATOM 0 H GLU A 34 3.139 6.812 -7.476 1.00 10.11 H new ATOM 0 HA GLU A 34 4.227 9.423 -7.251 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.310 6.835 -5.586 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.355 8.175 -5.156 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.348 8.439 -5.555 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.084 8.128 -3.996 1.00 18.75 H new ATOM 556 N GLY A 35 6.025 6.928 -8.251 1.00 7.22 N ATOM 557 CA GLY A 35 7.339 6.586 -8.700 1.00 6.29 C ATOM 558 C GLY A 35 8.231 5.996 -7.663 1.00 6.93 C ATOM 559 O GLY A 35 9.383 6.404 -7.526 1.00 7.41 O ATOM 0 H GLY A 35 5.295 6.250 -8.469 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.251 5.879 -9.525 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.814 7.483 -9.098 1.00 6.29 H new ATOM 563 N ILE A 36 7.685 5.136 -6.784 1.00 5.86 N ATOM 564 CA ILE A 36 8.363 4.479 -5.710 1.00 6.07 C ATOM 565 C ILE A 36 8.630 3.066 -6.097 1.00 6.36 C ATOM 566 O ILE A 36 7.618 2.389 -6.271 1.00 6.18 O ATOM 567 CB ILE A 36 7.669 4.583 -4.384 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.454 6.078 -4.093 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.387 3.845 -3.242 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.715 6.354 -2.785 1.00 9.49 C ATOM 0 H ILE A 36 6.698 4.883 -6.829 1.00 5.86 H new ATOM 0 HA ILE A 36 9.306 5.002 -5.552 1.00 6.07 H new ATOM 0 HB ILE A 36 6.709 4.069 -4.442 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.423 6.575 -4.063 1.00 8.52 H new ATOM 0 HG13 ILE A 36 6.894 6.521 -4.916 1.00 8.52 H new ATOM 0 HG21 ILE A 36 7.823 3.968 -2.318 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.461 2.785 -3.484 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.387 4.258 -3.114 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.602 7.430 -2.651 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.731 5.887 -2.818 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.284 5.942 -1.952 1.00 9.49 H new ATOM 582 N PRO A 37 9.761 2.488 -6.376 1.00 8.65 N ATOM 583 CA PRO A 37 9.953 1.168 -6.903 1.00 9.18 C ATOM 584 C PRO A 37 9.326 0.087 -6.093 1.00 9.85 C ATOM 585 O PRO A 37 9.245 0.271 -4.879 1.00 8.51 O ATOM 586 CB PRO A 37 11.464 1.003 -7.042 1.00 11.42 C ATOM 587 CG PRO A 37 11.907 2.434 -7.388 1.00 9.27 C ATOM 588 CD PRO A 37 11.001 3.245 -6.447 1.00 8.33 C ATOM 0 HA PRO A 37 9.444 1.067 -7.862 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.923 0.645 -6.120 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.727 0.293 -7.826 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.966 2.600 -7.188 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.739 2.678 -8.437 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.453 3.355 -5.461 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.829 4.250 -6.833 1.00 8.33 H new ATOM 596 N PRO A 38 8.756 -0.955 -6.622 1.00 8.71 N ATOM 597 CA PRO A 38 7.820 -1.697 -5.828 1.00 9.08 C ATOM 598 C PRO A 38 8.546 -2.663 -4.957 1.00 9.28 C ATOM 599 O PRO A 38 7.919 -3.155 -4.019 1.00 6.50 O ATOM 600 CB PRO A 38 6.994 -2.365 -6.926 1.00 10.31 C ATOM 601 CG PRO A 38 8.031 -2.576 -8.041 1.00 10.81 C ATOM 602 CD PRO A 38 8.762 -1.224 -8.052 1.00 12.00 C ATOM 0 HA PRO A 38 7.212 -1.121 -5.131 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.561 -3.307 -6.591 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.168 -1.733 -7.254 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.705 -3.403 -7.821 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.561 -2.794 -9.000 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.769 -1.292 -8.464 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.233 -0.463 -8.626 1.00 12.00 H new ATOM 610 N ASP A 39 9.813 -2.945 -5.309 1.00 11.20 N ATOM 611 CA ASP A 39 10.822 -3.531 -4.482 1.00 14.96 C ATOM 612 C ASP A 39 11.196 -2.775 -3.253 1.00 13.99 C ATOM 613 O ASP A 39 11.508 -3.291 -2.181 1.00 13.75 O ATOM 614 CB ASP A 39 11.920 -3.769 -5.532 1.00 24.16 C ATOM 615 CG ASP A 39 11.609 -4.864 -6.543 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.548 -6.009 -6.020 1.00 34.22 O ATOM 617 OD2 ASP A 39 11.256 -4.634 -7.730 1.00 35.55 O ATOM 0 H ASP A 39 10.158 -2.747 -6.248 1.00 11.20 H new ATOM 0 HA ASP A 39 10.513 -4.438 -3.962 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.097 -2.837 -6.069 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.847 -4.022 -5.017 1.00 24.16 H new ATOM 622 N GLN A 40 10.961 -1.451 -3.254 1.00 11.60 N ATOM 623 CA GLN A 40 11.203 -0.612 -2.120 1.00 10.76 C ATOM 624 C GLN A 40 10.103 -0.567 -1.116 1.00 8.01 C ATOM 625 O GLN A 40 10.218 -0.399 0.097 1.00 8.96 O ATOM 626 CB GLN A 40 11.504 0.843 -2.516 1.00 11.14 C ATOM 627 CG GLN A 40 12.983 1.035 -2.859 1.00 14.85 C ATOM 628 CD GLN A 40 13.339 2.374 -3.489 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.842 3.436 -3.115 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.267 2.401 -4.483 1.00 18.16 N ATOM 0 H GLN A 40 10.594 -0.950 -4.063 1.00 11.60 H new ATOM 0 HA GLN A 40 12.070 -1.088 -1.662 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.891 1.122 -3.373 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.230 1.508 -1.697 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.568 0.915 -1.947 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.287 0.240 -3.540 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.692 1.532 -4.808 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.538 3.290 -4.903 1.00 18.16 H new ATOM 639 N GLN A 41 8.869 -0.685 -1.638 1.00 6.52 N ATOM 640 CA GLN A 41 7.709 -0.658 -0.802 1.00 3.87 C ATOM 641 C GLN A 41 7.454 -1.771 0.156 1.00 4.79 C ATOM 642 O GLN A 41 7.597 -2.908 -0.289 1.00 6.34 O ATOM 643 CB GLN A 41 6.514 -0.537 -1.763 1.00 4.20 C ATOM 644 CG GLN A 41 6.609 0.677 -2.689 1.00 3.20 C ATOM 645 CD GLN A 41 5.281 0.762 -3.427 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.200 0.675 -2.846 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.322 0.766 -4.786 1.00 7.13 N ATOM 0 H GLN A 41 8.675 -0.798 -2.633 1.00 6.52 H new ATOM 0 HA GLN A 41 7.875 0.173 -0.117 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.448 -1.442 -2.366 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.594 -0.473 -1.183 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.795 1.587 -2.118 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.436 0.566 -3.390 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.217 0.838 -5.269 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.457 0.697 -5.323 1.00 7.13 H new ATOM 656 N ARG A 42 7.017 -1.501 1.399 1.00 5.73 N ATOM 657 CA ARG A 42 6.394 -2.495 2.217 1.00 6.97 C ATOM 658 C ARG A 42 5.228 -1.811 2.842 1.00 7.15 C ATOM 659 O ARG A 42 5.447 -0.700 3.323 1.00 7.33 O ATOM 660 CB ARG A 42 7.365 -2.980 3.307 1.00 13.23 C ATOM 661 CG ARG A 42 7.234 -4.477 3.596 1.00 21.27 C ATOM 662 CD ARG A 42 8.378 -5.008 4.461 1.00 26.14 C ATOM 663 NE ARG A 42 8.328 -6.495 4.543 1.00 32.26 N ATOM 664 CZ ARG A 42 9.363 -7.266 4.987 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.500 -6.790 5.575 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.355 -8.630 5.017 1.00 36.39 N ATOM 0 H ARG A 42 7.096 -0.585 1.841 1.00 5.73 H new ATOM 0 HA ARG A 42 6.098 -3.369 1.637 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.388 -2.762 2.999 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.183 -2.420 4.224 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.285 -4.665 4.098 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.210 -5.025 2.654 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.334 -4.694 4.042 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.313 -4.581 5.462 1.00 26.14 H new ATOM 0 HE ARG A 42 7.471 -6.964 4.250 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.622 -5.786 5.710 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.227 -7.438 5.879 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.535 -9.142 4.693 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.169 -9.137 5.364 1.00 36.39 H new ATOM 680 N LEU A 43 4.072 -2.495 2.770 1.00 4.65 N ATOM 681 CA LEU A 43 2.842 -1.923 3.222 1.00 3.51 C ATOM 682 C LEU A 43 2.411 -2.675 4.434 1.00 5.56 C ATOM 683 O LEU A 43 2.347 -3.903 4.473 1.00 4.19 O ATOM 684 CB LEU A 43 1.866 -2.197 2.065 1.00 3.74 C ATOM 685 CG LEU A 43 1.985 -1.130 0.964 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.474 -1.729 -0.358 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.304 0.198 1.335 1.00 9.55 C ATOM 0 H LEU A 43 3.989 -3.442 2.400 1.00 4.65 H new ATOM 0 HA LEU A 43 2.904 -0.864 3.471 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.068 -3.181 1.643 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.845 -2.217 2.446 1.00 3.74 H new ATOM 0 HG LEU A 43 3.034 -0.860 0.843 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.552 -0.984 -1.149 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.075 -2.600 -0.619 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.432 -2.028 -0.243 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.423 0.909 0.517 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.243 0.025 1.514 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.763 0.602 2.237 1.00 9.55 H new ATOM 699 N ILE A 44 2.179 -1.957 5.548 1.00 4.58 N ATOM 700 CA ILE A 44 1.891 -2.447 6.860 1.00 5.55 C ATOM 701 C ILE A 44 0.541 -2.010 7.314 1.00 5.46 C ATOM 702 O ILE A 44 0.288 -0.822 7.507 1.00 6.04 O ATOM 703 CB ILE A 44 2.965 -1.927 7.769 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.344 -2.413 7.293 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.672 -2.256 9.242 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.498 -2.052 8.228 1.00 13.90 C ATOM 0 H ILE A 44 2.195 -0.937 5.525 1.00 4.58 H new ATOM 0 HA ILE A 44 1.879 -3.537 6.868 1.00 5.55 H new ATOM 0 HB ILE A 44 2.977 -0.838 7.716 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.313 -3.496 7.175 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.545 -1.991 6.308 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.472 -1.863 9.869 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.725 -1.802 9.535 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.610 -3.337 9.368 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.433 -2.433 7.816 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.560 -0.968 8.328 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.325 -2.497 9.208 1.00 13.90 H new ATOM 718 N PHE A 45 -0.395 -2.939 7.577 1.00 6.75 N ATOM 719 CA PHE A 45 -1.646 -2.698 8.226 1.00 4.70 C ATOM 720 C PHE A 45 -1.547 -2.962 9.689 1.00 6.34 C ATOM 721 O PHE A 45 -1.491 -4.101 10.148 1.00 5.45 O ATOM 722 CB PHE A 45 -2.850 -3.451 7.635 1.00 5.51 C ATOM 723 CG PHE A 45 -4.169 -3.023 8.179 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.666 -1.820 7.737 1.00 5.87 C ATOM 725 CD2 PHE A 45 -4.853 -3.686 9.170 1.00 6.86 C ATOM 726 CE1 PHE A 45 -5.911 -1.415 8.158 1.00 6.64 C ATOM 727 CE2 PHE A 45 -6.137 -3.331 9.512 1.00 6.68 C ATOM 728 CZ PHE A 45 -6.665 -2.152 9.041 1.00 6.84 C ATOM 0 H PHE A 45 -0.270 -3.918 7.320 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.847 -1.642 8.044 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.854 -3.313 6.554 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.723 -4.518 7.820 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.086 -1.201 7.068 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -4.373 -4.502 9.690 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -6.311 -0.485 7.782 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -6.727 -3.975 10.147 1.00 6.68 H new ATOM 0 HZ PHE A 45 -7.642 -1.815 9.355 1.00 6.84 H new ATOM 738 N ALA A 46 -1.459 -1.871 10.472 1.00 6.53 N ATOM 739 CA ALA A 46 -1.040 -1.838 11.839 1.00 7.15 C ATOM 740 C ALA A 46 0.353 -2.284 12.125 1.00 9.00 C ATOM 741 O ALA A 46 1.241 -1.434 12.174 1.00 11.15 O ATOM 742 CB ALA A 46 -2.108 -2.465 12.751 1.00 8.99 C ATOM 0 H ALA A 46 -1.699 -0.944 10.122 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.964 -0.779 12.087 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.769 -2.429 13.786 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.040 -1.909 12.655 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.273 -3.502 12.459 1.00 8.99 H new ATOM 748 N GLY A 47 0.636 -3.595 12.225 1.00 9.35 N ATOM 749 CA GLY A 47 1.965 -4.109 12.348 1.00 11.68 C ATOM 750 C GLY A 47 1.958 -5.367 11.551 1.00 11.14 C ATOM 751 O GLY A 47 2.881 -6.168 11.693 1.00 13.93 O ATOM 0 H GLY A 47 -0.082 -4.320 12.220 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.700 -3.401 11.965 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.220 -4.302 13.390 1.00 11.68 H new ATOM 755 N LYS A 48 0.969 -5.578 10.665 1.00 10.47 N ATOM 756 CA LYS A 48 0.996 -6.673 9.745 1.00 8.82 C ATOM 757 C LYS A 48 1.530 -6.338 8.395 1.00 7.68 C ATOM 758 O LYS A 48 0.893 -5.658 7.592 1.00 6.47 O ATOM 759 CB LYS A 48 -0.427 -7.254 9.799 1.00 9.74 C ATOM 760 CG LYS A 48 -0.627 -8.547 9.006 1.00 14.14 C ATOM 761 CD LYS A 48 -1.978 -9.132 9.419 1.00 16.32 C ATOM 762 CE LYS A 48 -2.702 -10.063 8.444 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.835 -11.201 8.068 1.00 23.92 N ATOM 0 H LYS A 48 0.143 -4.985 10.585 1.00 10.47 H new ATOM 0 HA LYS A 48 1.723 -7.434 10.028 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.688 -7.440 10.841 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.124 -6.504 9.425 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.607 -8.347 7.935 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.177 -9.253 9.214 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.831 -9.678 10.351 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.646 -8.299 9.639 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.620 -10.434 8.901 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.991 -9.509 7.551 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.344 -11.821 7.406 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -0.971 -10.844 7.613 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.580 -11.739 8.920 1.00 23.92 H new ATOM 777 N GLN A 49 2.716 -6.911 8.122 1.00 8.89 N ATOM 778 CA GLN A 49 3.404 -6.709 6.885 1.00 7.18 C ATOM 779 C GLN A 49 2.799 -7.506 5.781 1.00 8.23 C ATOM 780 O GLN A 49 2.721 -8.730 5.883 1.00 9.70 O ATOM 781 CB GLN A 49 4.913 -6.994 6.972 1.00 11.67 C ATOM 782 CG GLN A 49 5.566 -6.203 8.107 1.00 15.82 C ATOM 783 CD GLN A 49 7.051 -6.515 8.227 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.818 -5.677 7.758 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.519 -7.660 8.794 1.00 20.67 N ATOM 0 H GLN A 49 3.206 -7.526 8.772 1.00 8.89 H new ATOM 0 HA GLN A 49 3.288 -5.648 6.662 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.075 -8.060 7.130 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.389 -6.736 6.026 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.431 -5.136 7.932 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.068 -6.437 9.048 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.866 -8.343 9.178 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.523 -7.835 8.835 1.00 20.67 H new ATOM 794 N LEU A 50 2.230 -6.936 4.704 1.00 6.51 N ATOM 795 CA LEU A 50 1.373 -7.587 3.763 1.00 7.41 C ATOM 796 C LEU A 50 2.124 -8.248 2.659 1.00 8.27 C ATOM 797 O LEU A 50 3.107 -7.720 2.141 1.00 8.34 O ATOM 798 CB LEU A 50 0.379 -6.592 3.140 1.00 7.13 C ATOM 799 CG LEU A 50 -0.411 -5.798 4.195 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.444 -4.957 3.426 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.265 -6.610 5.184 1.00 8.14 C ATOM 0 H LEU A 50 2.380 -5.953 4.476 1.00 6.51 H new ATOM 0 HA LEU A 50 0.842 -8.352 4.330 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.922 -5.896 2.500 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.319 -7.134 2.502 1.00 7.13 H new ATOM 0 HG LEU A 50 0.348 -5.269 4.772 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.034 -4.372 4.131 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.928 -4.286 2.739 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.103 -5.617 2.862 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.769 -5.931 5.872 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.009 -7.187 4.634 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.624 -7.288 5.747 1.00 8.14 H new ATOM 813 N GLU A 51 1.684 -9.461 2.281 1.00 9.43 N ATOM 814 CA GLU A 51 2.345 -10.262 1.297 1.00 11.90 C ATOM 815 C GLU A 51 1.803 -10.191 -0.089 1.00 11.49 C ATOM 816 O GLU A 51 0.686 -9.721 -0.301 1.00 9.88 O ATOM 817 CB GLU A 51 2.303 -11.753 1.674 1.00 16.56 C ATOM 818 CG GLU A 51 2.942 -12.034 3.036 1.00 26.06 C ATOM 819 CD GLU A 51 2.975 -13.508 3.411 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.942 -14.185 3.158 1.00 32.13 O ATOM 821 OE2 GLU A 51 4.003 -13.972 3.972 1.00 33.44 O ATOM 0 H GLU A 51 0.847 -9.897 2.669 1.00 9.43 H new ATOM 0 HA GLU A 51 3.349 -9.837 1.294 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.267 -12.092 1.686 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.819 -12.332 0.908 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.961 -11.647 3.035 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.394 -11.487 3.803 1.00 26.06 H new ATOM 828 N ASP A 52 2.629 -10.611 -1.063 1.00 12.71 N ATOM 829 CA ASP A 52 2.479 -10.416 -2.472 1.00 16.56 C ATOM 830 C ASP A 52 1.162 -10.674 -3.120 1.00 15.83 C ATOM 831 O ASP A 52 0.425 -9.746 -3.447 1.00 17.21 O ATOM 832 CB ASP A 52 3.650 -11.046 -3.244 1.00 21.05 C ATOM 833 CG ASP A 52 4.923 -10.685 -2.492 1.00 25.12 C ATOM 834 OD1 ASP A 52 5.199 -9.473 -2.284 1.00 28.37 O ATOM 835 OD2 ASP A 52 5.665 -11.606 -2.056 1.00 25.82 O ATOM 0 H ASP A 52 3.477 -11.133 -0.843 1.00 12.71 H new ATOM 0 HA ASP A 52 2.505 -9.329 -2.545 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.533 -12.128 -3.307 1.00 21.05 H new ATOM 0 HB3 ASP A 52 3.686 -10.669 -4.266 1.00 21.05 H new ATOM 840 N GLY A 53 0.761 -11.957 -3.174 1.00 15.00 N ATOM 841 CA GLY A 53 -0.309 -12.438 -3.991 1.00 11.77 C ATOM 842 C GLY A 53 -1.696 -12.347 -3.453 1.00 11.10 C ATOM 843 O GLY A 53 -2.606 -12.833 -4.123 1.00 11.25 O ATOM 0 H GLY A 53 1.203 -12.692 -2.623 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.280 -11.892 -4.934 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.108 -13.484 -4.222 1.00 11.77 H new ATOM 847 N ARG A 54 -1.848 -11.658 -2.309 1.00 8.53 N ATOM 848 CA ARG A 54 -3.101 -11.533 -1.629 1.00 9.05 C ATOM 849 C ARG A 54 -3.818 -10.281 -2.001 1.00 8.96 C ATOM 850 O ARG A 54 -3.312 -9.224 -2.374 1.00 11.60 O ATOM 851 CB ARG A 54 -2.785 -11.564 -0.124 1.00 7.97 C ATOM 852 CG ARG A 54 -2.133 -12.883 0.294 1.00 9.62 C ATOM 853 CD ARG A 54 -2.692 -14.216 -0.207 1.00 12.20 C ATOM 854 NE ARG A 54 -4.113 -14.366 0.214 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.705 -15.527 0.620 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.973 -16.644 0.903 1.00 23.38 N ATOM 857 NH2 ARG A 54 -6.051 -15.741 0.559 1.00 25.50 N ATOM 0 H ARG A 54 -1.080 -11.175 -1.843 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.768 -12.348 -1.911 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.121 -10.736 0.125 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.704 -11.417 0.443 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.088 -12.837 -0.012 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.145 -12.917 1.383 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.620 -14.264 -1.294 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.098 -15.040 0.189 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.694 -13.528 0.197 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.957 -16.624 0.813 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.442 -17.498 1.204 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -6.667 -15.014 0.196 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -6.441 -16.628 0.876 1.00 25.50 H new ATOM 871 N THR A 55 -5.140 -10.334 -1.759 1.00 9.05 N ATOM 872 CA THR A 55 -6.030 -9.253 -2.050 1.00 9.03 C ATOM 873 C THR A 55 -6.253 -8.454 -0.812 1.00 8.15 C ATOM 874 O THR A 55 -5.943 -8.809 0.324 1.00 5.91 O ATOM 875 CB THR A 55 -7.356 -9.623 -2.645 1.00 11.15 C ATOM 876 OG1 THR A 55 -7.998 -10.486 -1.718 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.104 -10.520 -3.869 1.00 11.71 C ATOM 0 H THR A 55 -5.601 -11.147 -1.351 1.00 9.05 H new ATOM 0 HA THR A 55 -5.526 -8.682 -2.830 1.00 9.03 H new ATOM 0 HB THR A 55 -7.923 -8.724 -2.887 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.873 -10.751 -2.070 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.057 -10.801 -4.317 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.505 -9.978 -4.601 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.571 -11.418 -3.558 1.00 11.71 H new ATOM 885 N LEU A 56 -6.788 -7.237 -1.021 1.00 6.91 N ATOM 886 CA LEU A 56 -7.225 -6.432 0.077 1.00 8.29 C ATOM 887 C LEU A 56 -8.467 -6.944 0.723 1.00 8.05 C ATOM 888 O LEU A 56 -8.630 -6.501 1.859 1.00 10.17 O ATOM 889 CB LEU A 56 -7.534 -5.002 -0.398 1.00 6.60 C ATOM 890 CG LEU A 56 -6.311 -4.070 -0.413 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.369 -2.994 -1.511 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.950 -3.427 0.936 1.00 9.85 C ATOM 0 H LEU A 56 -6.917 -6.814 -1.940 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.408 -6.458 0.798 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -7.956 -5.047 -1.402 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.298 -4.572 0.250 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.502 -4.762 -0.648 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.474 -2.374 -1.461 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.424 -3.474 -2.488 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.251 -2.370 -1.363 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.074 -2.790 0.813 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.788 -2.827 1.289 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.731 -4.208 1.664 1.00 9.85 H new ATOM 904 N SER A 57 -9.280 -7.804 0.085 1.00 8.92 N ATOM 905 CA SER A 57 -10.369 -8.510 0.688 1.00 9.00 C ATOM 906 C SER A 57 -9.909 -9.580 1.617 1.00 9.44 C ATOM 907 O SER A 57 -10.575 -9.915 2.595 1.00 10.91 O ATOM 908 CB SER A 57 -11.342 -9.203 -0.280 1.00 10.32 C ATOM 909 OG SER A 57 -12.404 -8.304 -0.563 1.00 13.59 O ATOM 0 H SER A 57 -9.172 -8.019 -0.906 1.00 8.92 H new ATOM 0 HA SER A 57 -10.892 -7.702 1.199 1.00 9.00 H new ATOM 0 HB2 SER A 57 -10.828 -9.485 -1.199 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.729 -10.121 0.163 1.00 10.32 H new ATOM 0 HG SER A 57 -13.035 -8.728 -1.181 1.00 13.59 H new ATOM 915 N ASP A 58 -8.760 -10.241 1.391 1.00 9.11 N ATOM 916 CA ASP A 58 -8.191 -11.270 2.204 1.00 7.91 C ATOM 917 C ASP A 58 -7.784 -10.692 3.515 1.00 9.12 C ATOM 918 O ASP A 58 -8.133 -11.179 4.589 1.00 8.61 O ATOM 919 CB ASP A 58 -6.925 -11.913 1.613 1.00 8.41 C ATOM 920 CG ASP A 58 -7.104 -12.818 0.402 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.023 -13.670 0.528 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.386 -12.712 -0.628 1.00 10.05 O ATOM 0 H ASP A 58 -8.184 -10.038 0.574 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.964 -12.034 2.285 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.237 -11.113 1.338 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.442 -12.493 2.400 1.00 8.41 H new ATOM 927 N TYR A 59 -6.985 -9.610 3.549 1.00 7.97 N ATOM 928 CA TYR A 59 -6.515 -8.968 4.738 1.00 8.45 C ATOM 929 C TYR A 59 -7.646 -8.345 5.482 1.00 10.98 C ATOM 930 O TYR A 59 -7.503 -7.905 6.621 1.00 12.95 O ATOM 931 CB TYR A 59 -5.383 -7.981 4.409 1.00 7.94 C ATOM 932 CG TYR A 59 -4.184 -8.738 3.950 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.667 -9.780 4.683 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.514 -8.384 2.803 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.572 -10.481 4.235 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.402 -9.056 2.351 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.887 -10.078 3.113 1.00 6.76 C ATOM 938 OH TYR A 59 -0.701 -10.722 2.702 1.00 7.63 O ATOM 0 H TYR A 59 -6.648 -9.158 2.699 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.086 -9.715 5.405 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.706 -7.285 3.635 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.137 -7.387 5.289 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.126 -10.051 5.622 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.876 -7.542 2.232 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.246 -11.360 4.772 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.941 -8.785 1.413 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.620 -10.666 1.727 1.00 7.63 H new ATOM 948 N ASN A 60 -8.748 -8.132 4.741 1.00 12.38 N ATOM 949 CA ASN A 60 -9.960 -7.531 5.203 1.00 13.94 C ATOM 950 C ASN A 60 -9.906 -6.058 5.422 1.00 14.16 C ATOM 951 O ASN A 60 -10.423 -5.524 6.403 1.00 14.26 O ATOM 952 CB ASN A 60 -10.525 -8.173 6.481 1.00 19.23 C ATOM 953 CG ASN A 60 -11.090 -9.570 6.264 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.726 -10.520 6.955 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.176 -9.620 5.447 1.00 24.09 N ATOM 0 H ASN A 60 -8.794 -8.397 3.757 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.624 -7.725 4.361 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.736 -8.222 7.232 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.309 -7.532 6.883 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.730 -10.474 5.387 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.436 -8.803 4.894 1.00 24.09 H new ATOM 962 N ILE A 61 -9.363 -5.308 4.446 1.00 11.08 N ATOM 963 CA ILE A 61 -9.203 -3.893 4.576 1.00 11.78 C ATOM 964 C ILE A 61 -10.315 -3.188 3.878 1.00 13.74 C ATOM 965 O ILE A 61 -10.520 -3.214 2.666 1.00 14.60 O ATOM 966 CB ILE A 61 -7.809 -3.580 4.120 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.850 -4.198 5.153 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.618 -2.065 3.937 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.400 -4.176 4.671 1.00 11.42 C ATOM 0 H ILE A 61 -9.032 -5.687 3.559 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.288 -3.528 5.600 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.600 -4.009 3.140 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.928 -3.652 6.093 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.149 -5.226 5.356 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.599 -1.864 3.606 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.321 -1.697 3.190 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.798 -1.558 4.885 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.757 -4.622 5.430 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.316 -4.745 3.745 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.091 -3.146 4.493 1.00 11.42 H new ATOM 981 N GLN A 62 -11.140 -2.561 4.735 1.00 13.97 N ATOM 982 CA GLN A 62 -12.338 -1.866 4.377 1.00 15.52 C ATOM 983 C GLN A 62 -12.043 -0.595 3.658 1.00 13.94 C ATOM 984 O GLN A 62 -10.928 -0.076 3.692 1.00 12.15 O ATOM 985 CB GLN A 62 -13.249 -1.641 5.595 1.00 19.53 C ATOM 986 CG GLN A 62 -13.810 -2.937 6.184 1.00 26.38 C ATOM 987 CD GLN A 62 -14.936 -3.471 5.310 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.805 -4.462 4.593 1.00 33.23 O ATOM 989 NE2 GLN A 62 -16.120 -2.810 5.416 1.00 32.71 N ATOM 0 H GLN A 62 -10.959 -2.538 5.739 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.887 -2.503 3.683 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.688 -1.114 6.366 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.077 -0.994 5.305 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.018 -3.681 6.263 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.179 -2.756 7.194 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -16.195 -1.991 6.020 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.933 -3.133 4.892 1.00 32.71 H new ATOM 998 N LYS A 63 -13.138 0.036 3.198 1.00 11.73 N ATOM 999 CA LYS A 63 -13.072 1.374 2.699 1.00 11.97 C ATOM 1000 C LYS A 63 -12.451 2.440 3.534 1.00 10.41 C ATOM 1001 O LYS A 63 -12.595 2.480 4.755 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.436 1.845 2.164 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.484 1.969 3.272 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.847 2.418 2.740 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.698 2.999 3.870 1.00 23.42 C ATOM 1006 NZ LYS A 63 -18.976 3.507 3.325 1.00 25.97 N ATOM 0 H LYS A 63 -14.069 -0.380 3.172 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.340 1.252 1.901 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.317 2.810 1.671 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.790 1.143 1.409 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.592 1.008 3.775 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.136 2.682 4.019 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.711 3.165 1.958 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -17.363 1.572 2.286 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.891 2.234 4.622 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.158 3.805 4.367 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -19.551 3.901 4.097 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.783 4.250 2.623 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -19.494 2.728 2.871 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.562 3.285 2.982 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.915 4.421 3.561 1.00 10.94 C ATOM 1022 C GLU A 64 -10.081 4.085 4.749 1.00 9.74 C ATOM 1023 O GLU A 64 -10.175 4.601 5.861 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.011 5.418 3.974 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.634 6.082 2.745 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.745 7.074 3.059 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -14.743 6.599 3.664 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.649 8.294 2.758 1.00 32.61 O ATOM 0 H GLU A 64 -11.264 3.153 2.015 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.235 4.839 2.819 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.783 4.901 4.544 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.588 6.180 4.629 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.850 6.597 2.190 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.031 5.306 2.091 1.00 24.16 H new ATOM 1035 N SER A 65 -9.220 3.073 4.541 1.00 6.85 N ATOM 1036 CA SER A 65 -8.349 2.608 5.576 1.00 6.90 C ATOM 1037 C SER A 65 -6.943 3.022 5.308 1.00 4.72 C ATOM 1038 O SER A 65 -6.642 3.418 4.183 1.00 3.91 O ATOM 1039 CB SER A 65 -8.318 1.087 5.805 1.00 7.28 C ATOM 1040 OG SER A 65 -9.629 0.620 6.087 1.00 10.56 O ATOM 0 H SER A 65 -9.127 2.576 3.655 1.00 6.85 H new ATOM 0 HA SER A 65 -8.770 3.066 6.471 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.924 0.584 4.922 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.650 0.847 6.632 1.00 7.28 H new ATOM 0 HG SER A 65 -10.072 0.365 5.251 1.00 10.56 H new ATOM 1046 N THR A 66 -6.224 3.103 6.442 1.00 4.48 N ATOM 1047 CA THR A 66 -4.933 3.718 6.443 1.00 3.80 C ATOM 1048 C THR A 66 -3.922 2.623 6.451 1.00 4.60 C ATOM 1049 O THR A 66 -3.871 1.762 7.328 1.00 5.33 O ATOM 1050 CB THR A 66 -4.585 4.547 7.643 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.707 5.388 7.871 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.320 5.377 7.366 1.00 3.40 C ATOM 0 H THR A 66 -6.531 2.748 7.347 1.00 4.48 H new ATOM 0 HA THR A 66 -4.941 4.378 5.575 1.00 3.80 H new ATOM 0 HB THR A 66 -4.373 3.930 8.516 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.537 5.956 8.651 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.077 5.975 8.245 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.489 4.709 7.141 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.496 6.036 6.516 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.997 2.692 5.477 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.927 1.753 5.342 1.00 3.85 C ATOM 1062 C LEU A 67 -0.635 2.436 5.631 1.00 3.80 C ATOM 1063 O LEU A 67 -0.537 3.622 5.320 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.774 1.100 3.958 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.015 0.440 3.334 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.688 -0.136 1.946 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.524 -0.700 4.232 1.00 8.12 C ATOM 0 H LEU A 67 -2.993 3.421 4.764 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.178 0.959 6.045 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.417 1.863 3.266 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.993 0.343 4.030 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.784 1.207 3.237 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.581 -0.598 1.524 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.350 0.666 1.290 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.902 -0.885 2.039 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.403 -1.157 3.777 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.742 -1.451 4.345 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.789 -0.301 5.211 1.00 8.12 H new ATOM 1079 N HIS A 68 0.341 1.732 6.232 1.00 2.94 N ATOM 1080 CA HIS A 68 1.607 2.348 6.482 1.00 4.17 C ATOM 1081 C HIS A 68 2.534 1.854 5.425 1.00 5.32 C ATOM 1082 O HIS A 68 2.669 0.642 5.263 1.00 7.70 O ATOM 1083 CB HIS A 68 2.114 2.012 7.894 1.00 5.57 C ATOM 1084 CG HIS A 68 1.264 2.469 9.043 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.849 3.733 9.411 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.990 1.626 10.074 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.367 3.566 10.672 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.385 2.318 11.103 1.00 16.30 N ATOM 0 H HIS A 68 0.259 0.762 6.538 1.00 2.94 H new ATOM 0 HA HIS A 68 1.533 3.435 6.444 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.229 0.930 7.965 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.107 2.447 8.011 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.213 0.569 10.086 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.000 4.386 11.271 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.034 1.952 11.988 1.00 16.30 H new ATOM 1096 N LEU A 69 3.194 2.708 4.623 1.00 5.29 N ATOM 1097 CA LEU A 69 4.184 2.394 3.640 1.00 3.97 C ATOM 1098 C LEU A 69 5.519 2.677 4.238 1.00 5.07 C ATOM 1099 O LEU A 69 5.869 3.841 4.426 1.00 4.34 O ATOM 1100 CB LEU A 69 3.757 3.107 2.346 1.00 6.08 C ATOM 1101 CG LEU A 69 4.826 3.086 1.240 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.160 1.673 0.730 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.454 3.932 0.011 1.00 6.87 C ATOM 0 H LEU A 69 3.017 3.711 4.669 1.00 5.29 H new ATOM 0 HA LEU A 69 4.273 1.349 3.344 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.848 2.639 1.968 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.509 4.143 2.578 1.00 6.08 H new ATOM 0 HG LEU A 69 5.696 3.514 1.738 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.921 1.737 -0.048 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.535 1.068 1.555 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.261 1.212 0.321 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.253 3.871 -0.728 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.528 3.555 -0.423 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.317 4.971 0.312 1.00 6.87 H new ATOM 1115 N VAL A 70 6.362 1.638 4.373 1.00 4.29 N ATOM 1116 CA VAL A 70 7.717 1.853 4.775 1.00 6.26 C ATOM 1117 C VAL A 70 8.771 1.503 3.782 1.00 9.22 C ATOM 1118 O VAL A 70 8.495 1.201 2.622 1.00 9.36 O ATOM 1119 CB VAL A 70 7.997 1.224 6.108 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.953 1.685 7.139 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.966 -0.313 6.077 1.00 8.54 C ATOM 0 H VAL A 70 6.111 0.663 4.207 1.00 4.29 H new ATOM 0 HA VAL A 70 7.789 2.938 4.855 1.00 6.26 H new ATOM 0 HB VAL A 70 9.004 1.543 6.379 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.165 1.223 8.103 1.00 9.76 H new ATOM 0 HG12 VAL A 70 6.995 2.770 7.239 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.958 1.390 6.806 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.177 -0.701 7.073 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.980 -0.651 5.757 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.719 -0.678 5.379 1.00 8.54 H new ATOM 1131 N LEU A 71 10.038 1.401 4.221 1.00 12.71 N ATOM 1132 CA LEU A 71 11.102 0.843 3.445 1.00 16.06 C ATOM 1133 C LEU A 71 11.244 -0.630 3.612 1.00 18.09 C ATOM 1134 O LEU A 71 11.259 -1.132 4.735 1.00 19.26 O ATOM 1135 CB LEU A 71 12.376 1.595 3.866 1.00 17.10 C ATOM 1136 CG LEU A 71 13.492 1.328 2.842 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.179 1.971 1.480 1.00 19.57 C ATOM 1138 CD2 LEU A 71 14.809 1.947 3.340 1.00 17.51 C ATOM 0 H LEU A 71 10.332 1.717 5.145 1.00 12.71 H new ATOM 0 HA LEU A 71 10.896 0.969 2.382 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.175 2.664 3.930 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.692 1.270 4.857 1.00 17.10 H new ATOM 0 HG LEU A 71 13.571 0.247 2.729 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.990 1.760 0.783 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.249 1.560 1.089 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.076 3.049 1.602 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.598 1.757 2.613 1.00 17.51 H new ATOM 0 HD22 LEU A 71 14.682 3.022 3.464 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.082 1.501 4.297 1.00 17.51 H new ATOM 1150 N ARG A 72 11.188 -1.383 2.499 1.00 21.47 N ATOM 1151 CA ARG A 72 11.427 -2.792 2.545 1.00 25.83 C ATOM 1152 C ARG A 72 12.899 -3.021 2.530 1.00 27.74 C ATOM 1153 O ARG A 72 13.651 -2.535 1.686 1.00 30.65 O ATOM 1154 CB ARG A 72 10.726 -3.470 1.356 1.00 28.49 C ATOM 1155 CG ARG A 72 10.877 -4.990 1.273 1.00 31.79 C ATOM 1156 CD ARG A 72 9.998 -5.655 0.211 1.00 34.05 C ATOM 1157 NE ARG A 72 9.959 -7.131 0.410 1.00 35.08 N ATOM 1158 CZ ARG A 72 9.403 -8.036 -0.447 1.00 34.67 C ATOM 1159 NH1 ARG A 72 8.641 -7.692 -1.526 1.00 35.02 N ATOM 1160 NH2 ARG A 72 9.676 -9.362 -0.275 1.00 34.97 N ATOM 0 H ARG A 72 10.978 -1.018 1.570 1.00 21.47 H new ATOM 0 HA ARG A 72 11.019 -3.229 3.456 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.663 -3.231 1.401 1.00 28.49 H new ATOM 0 HB3 ARG A 72 11.112 -3.035 0.434 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.920 -5.229 1.065 1.00 31.79 H new ATOM 0 HG3 ARG A 72 10.639 -5.420 2.246 1.00 31.79 H new ATOM 0 HD2 ARG A 72 8.988 -5.249 0.262 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.384 -5.427 -0.783 1.00 34.05 H new ATOM 0 HE ARG A 72 10.385 -7.497 1.261 1.00 35.08 H new ATOM 0 HH11 ARG A 72 8.459 -6.709 -1.729 1.00 35.02 H new ATOM 0 HH12 ARG A 72 8.254 -8.418 -2.129 1.00 35.02 H new ATOM 0 HH21 ARG A 72 10.287 -9.663 0.485 1.00 34.97 H new ATOM 0 HH22 ARG A 72 9.269 -10.052 -0.906 1.00 34.97 H new ATOM 1174 N LEU A 73 13.431 -3.618 3.612 1.00 28.93 N ATOM 1175 CA LEU A 73 14.803 -4.018 3.637 1.00 30.76 C ATOM 1176 C LEU A 73 14.859 -5.486 3.384 1.00 32.18 C ATOM 1177 O LEU A 73 13.887 -6.153 3.035 1.00 32.31 O ATOM 1178 CB LEU A 73 15.449 -3.708 4.998 1.00 30.53 C ATOM 1179 CG LEU A 73 15.432 -2.227 5.413 1.00 30.16 C ATOM 1180 CD1 LEU A 73 15.636 -1.929 6.908 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.481 -1.491 4.562 1.00 29.57 C ATOM 0 H LEU A 73 12.913 -3.823 4.466 1.00 28.93 H new ATOM 0 HA LEU A 73 15.353 -3.467 2.874 1.00 30.76 H new ATOM 0 HB2 LEU A 73 14.937 -4.289 5.765 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.484 -4.050 4.977 1.00 30.53 H new ATOM 0 HG LEU A 73 14.418 -1.870 5.230 1.00 30.16 H new ATOM 0 HD11 LEU A 73 15.603 -0.852 7.072 1.00 29.11 H new ATOM 0 HD12 LEU A 73 14.846 -2.408 7.486 1.00 29.11 H new ATOM 0 HD13 LEU A 73 16.604 -2.315 7.227 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.494 -0.435 4.833 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.465 -1.924 4.743 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.229 -1.592 3.506 1.00 29.57 H new ATOM 1193 N ARG A 74 16.061 -6.081 3.487 1.00 33.82 N ATOM 1194 CA ARG A 74 16.368 -7.436 3.149 1.00 35.33 C ATOM 1195 C ARG A 74 17.012 -8.077 4.330 1.00 36.22 C ATOM 1196 O ARG A 74 17.396 -7.389 5.275 1.00 36.70 O ATOM 1197 CB ARG A 74 17.294 -7.437 1.921 1.00 36.91 C ATOM 1198 CG ARG A 74 16.599 -6.985 0.635 1.00 38.62 C ATOM 1199 CD ARG A 74 15.468 -7.871 0.108 1.00 39.75 C ATOM 1200 NE ARG A 74 14.962 -7.120 -1.075 1.00 41.13 N ATOM 1201 CZ ARG A 74 13.862 -7.583 -1.738 1.00 41.91 C ATOM 1202 NH1 ARG A 74 13.202 -8.767 -1.574 1.00 42.75 N ATOM 1203 NH2 ARG A 74 13.376 -6.788 -2.735 1.00 41.93 N ATOM 0 H ARG A 74 16.877 -5.576 3.832 1.00 33.82 H new ATOM 0 HA ARG A 74 15.471 -8.002 2.897 1.00 35.33 H new ATOM 0 HB2 ARG A 74 18.144 -6.782 2.115 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.692 -8.441 1.776 1.00 36.91 H new ATOM 0 HG2 ARG A 74 16.197 -5.985 0.801 1.00 38.62 H new ATOM 0 HG3 ARG A 74 17.354 -6.900 -0.146 1.00 38.62 H new ATOM 0 HD2 ARG A 74 15.830 -8.861 -0.169 1.00 39.75 H new ATOM 0 HD3 ARG A 74 14.688 -8.014 0.856 1.00 39.75 H new ATOM 0 HE ARG A 74 15.432 -6.270 -1.386 1.00 41.13 H new ATOM 0 HH11 ARG A 74 13.525 -9.439 -0.878 1.00 42.75 H new ATOM 0 HH12 ARG A 74 12.386 -8.979 -2.147 1.00 42.75 H new ATOM 0 HH21 ARG A 74 13.833 -5.901 -2.949 1.00 41.93 H new ATOM 0 HH22 ARG A 74 12.556 -7.080 -3.266 1.00 41.93 H new ATOM 1217 N GLY A 75 16.923 -9.418 4.377 1.00 36.31 N ATOM 1218 CA GLY A 75 17.142 -10.187 5.563 1.00 36.07 C ATOM 1219 C GLY A 75 15.953 -10.212 6.460 1.00 36.16 C ATOM 1220 O GLY A 75 16.153 -10.672 7.583 1.00 36.26 O ATOM 0 H GLY A 75 16.691 -9.986 3.562 1.00 36.31 H new ATOM 0 HA2 GLY A 75 17.404 -11.208 5.286 1.00 36.07 H new ATOM 0 HA3 GLY A 75 17.993 -9.776 6.106 1.00 36.07 H new ATOM 1224 N GLY A 76 14.705 -9.952 6.030 1.00 36.05 N ATOM 1225 CA GLY A 76 13.601 -10.053 6.934 1.00 36.19 C ATOM 1226 C GLY A 76 12.481 -9.022 6.923 1.00 36.20 C ATOM 1227 O GLY A 76 12.739 -7.841 7.279 1.00 36.13 O ATOM 1228 OXT GLY A 76 11.330 -9.445 6.637 1.00 36.27 O ATOM 0 H GLY A 76 14.463 -9.678 5.078 1.00 36.05 H new ATOM 0 HA2 GLY A 76 13.140 -11.027 6.767 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.014 -10.064 7.943 1.00 36.19 H new TER 1232 GLY A 76