USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0057 K(o=-0.0057,f=-1) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= -0.361 (180deg=-0.44) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 131:sc= -0.052 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 144:sc= 0 (180deg=-0.0302) USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= -1.36 (180deg=-3.12!) USER MOD Single : A 43 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.029) USER MOD Single : A 44 SER OG : rot 69:sc= 0.867 USER MOD Single : A 46 SER OG : rot 95:sc= 0.059 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.2) USER MOD Single : A 63 GLN : amide:sc= -0.0398 K(o=-0.04,f=-1) USER MOD Single : A 67 SER OG : rot -39:sc= 0.053 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 76 THR OG1 : rot 95:sc= 0.274! USER MOD Single : A 78 GLN : amide:sc= -0.488 K(o=-0.49,f=-1.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.06! K(o=-3.1!,f=-0.41) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.38! K(o=-3.4!,f=-1.8) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= 0.403 (180deg=-0.714) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.66 K(o=-0.66,f=-2.7!) USER MOD Single : B 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0498) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.497 -2.016 8.702 1.00 0.20 N ATOM 37 CA LYS A 3 -1.557 -3.096 9.137 1.00 0.18 C ATOM 38 C LYS A 3 -0.156 -2.770 8.615 1.00 0.15 C ATOM 39 O LYS A 3 0.027 -2.500 7.444 1.00 0.16 O ATOM 40 CB LYS A 3 -2.035 -4.426 8.538 1.00 0.19 C ATOM 41 CG LYS A 3 -1.179 -5.602 9.042 1.00 0.20 C ATOM 42 CD LYS A 3 -1.679 -6.074 10.413 1.00 0.81 C ATOM 43 CE LYS A 3 -0.835 -7.259 10.888 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.321 -7.714 12.222 1.00 1.67 N ATOM 0 HA LYS A 3 -1.531 -3.169 10.224 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.079 -4.593 8.803 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.986 -4.377 7.450 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.223 -6.425 8.328 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.135 -5.297 9.113 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.618 -5.259 11.134 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.728 -6.364 10.349 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.898 -8.075 10.169 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.214 -6.970 10.951 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.747 -8.519 12.544 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.239 -6.935 12.906 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.316 -8.006 12.148 1.00 1.67 H new ATOM 58 N GLN A 4 0.840 -2.809 9.464 1.00 0.15 N ATOM 59 CA GLN A 4 2.233 -2.514 9.005 1.00 0.14 C ATOM 60 C GLN A 4 2.964 -3.834 8.763 1.00 0.12 C ATOM 61 O GLN A 4 3.076 -4.659 9.647 1.00 0.13 O ATOM 62 CB GLN A 4 2.972 -1.723 10.090 1.00 0.16 C ATOM 63 CG GLN A 4 4.390 -1.375 9.615 1.00 0.17 C ATOM 64 CD GLN A 4 5.131 -0.628 10.726 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.910 -0.878 11.896 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.004 0.287 10.408 1.00 0.31 N ATOM 0 H GLN A 4 0.749 -3.032 10.455 1.00 0.15 H new ATOM 0 HA GLN A 4 2.201 -1.929 8.086 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.424 -0.810 10.323 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.021 -2.308 11.008 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.930 -2.284 9.351 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.343 -0.759 8.717 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.189 0.496 9.427 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.502 0.793 11.140 1.00 0.31 H new ATOM 75 N ILE A 5 3.486 -4.029 7.581 1.00 0.10 N ATOM 76 CA ILE A 5 4.236 -5.285 7.283 1.00 0.10 C ATOM 77 C ILE A 5 5.732 -4.980 7.314 1.00 0.10 C ATOM 78 O ILE A 5 6.233 -4.229 6.502 1.00 0.11 O ATOM 79 CB ILE A 5 3.865 -5.777 5.891 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.340 -5.829 5.738 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.447 -7.165 5.678 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.720 -6.623 6.895 1.00 0.19 C ATOM 0 H ILE A 5 3.425 -3.369 6.805 1.00 0.10 H new ATOM 0 HA ILE A 5 3.988 -6.048 8.021 1.00 0.10 H new ATOM 0 HB ILE A 5 4.270 -5.090 5.148 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.934 -4.818 5.722 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.078 -6.293 4.787 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.184 -7.521 4.682 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.532 -7.123 5.773 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.043 -7.847 6.426 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.637 -6.653 6.776 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.114 -7.639 6.891 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.968 -6.141 7.841 1.00 0.19 H new ATOM 94 N GLU A 6 6.454 -5.553 8.241 1.00 0.11 N ATOM 95 CA GLU A 6 7.921 -5.291 8.312 1.00 0.13 C ATOM 96 C GLU A 6 8.691 -6.417 7.625 1.00 0.12 C ATOM 97 O GLU A 6 9.903 -6.393 7.564 1.00 0.13 O ATOM 98 CB GLU A 6 8.349 -5.212 9.779 1.00 0.15 C ATOM 99 CG GLU A 6 7.592 -4.083 10.481 1.00 0.17 C ATOM 100 CD GLU A 6 8.135 -2.729 10.015 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.238 -2.389 10.409 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.436 -2.054 9.277 1.00 2.25 O ATOM 0 H GLU A 6 6.092 -6.190 8.951 1.00 0.11 H new ATOM 0 HA GLU A 6 8.139 -4.350 7.808 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.149 -6.161 10.277 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.423 -5.038 9.845 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.527 -4.154 10.260 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.700 -4.177 11.562 1.00 0.17 H new ATOM 109 N SER A 7 8.011 -7.404 7.097 1.00 0.12 N ATOM 110 CA SER A 7 8.746 -8.517 6.416 1.00 0.13 C ATOM 111 C SER A 7 7.876 -9.173 5.344 1.00 0.12 C ATOM 112 O SER A 7 6.664 -9.173 5.425 1.00 0.12 O ATOM 113 CB SER A 7 9.121 -9.573 7.458 1.00 0.15 C ATOM 114 OG SER A 7 7.937 -10.074 8.063 1.00 0.15 O ATOM 0 H SER A 7 6.995 -7.489 7.106 1.00 0.12 H new ATOM 0 HA SER A 7 9.637 -8.106 5.941 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.675 -10.385 6.987 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.774 -9.139 8.215 1.00 0.15 H new ATOM 0 HG SER A 7 8.172 -10.752 8.730 1.00 0.15 H new ATOM 120 N LYS A 8 8.497 -9.764 4.353 1.00 0.14 N ATOM 121 CA LYS A 8 7.718 -10.456 3.290 1.00 0.15 C ATOM 122 C LYS A 8 6.967 -11.615 3.930 1.00 0.15 C ATOM 123 O LYS A 8 5.886 -11.980 3.515 1.00 0.16 O ATOM 124 CB LYS A 8 8.656 -11.003 2.211 1.00 0.18 C ATOM 125 CG LYS A 8 7.830 -11.485 1.015 1.00 0.21 C ATOM 126 CD LYS A 8 8.688 -12.378 0.110 1.00 0.43 C ATOM 127 CE LYS A 8 9.785 -11.546 -0.553 1.00 0.80 C ATOM 128 NZ LYS A 8 10.436 -12.350 -1.626 1.00 1.65 N ATOM 0 H LYS A 8 9.510 -9.795 4.238 1.00 0.14 H new ATOM 0 HA LYS A 8 7.026 -9.752 2.827 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.356 -10.229 1.895 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.249 -11.825 2.612 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.958 -12.038 1.364 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.460 -10.630 0.450 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.133 -13.183 0.695 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.064 -12.846 -0.651 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.361 -10.634 -0.973 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.524 -11.242 0.188 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.099 -11.749 -2.156 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.954 -13.144 -1.199 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.710 -12.718 -2.273 1.00 1.65 H new ATOM 142 N THR A 9 7.542 -12.204 4.940 1.00 0.15 N ATOM 143 CA THR A 9 6.861 -13.350 5.593 1.00 0.17 C ATOM 144 C THR A 9 5.485 -12.892 6.068 1.00 0.16 C ATOM 145 O THR A 9 4.484 -13.527 5.807 1.00 0.17 O ATOM 146 CB THR A 9 7.690 -13.834 6.787 1.00 0.19 C ATOM 147 OG1 THR A 9 9.011 -14.132 6.352 1.00 0.22 O ATOM 148 CG2 THR A 9 7.054 -15.095 7.373 1.00 0.23 C ATOM 0 H THR A 9 8.445 -11.944 5.337 1.00 0.15 H new ATOM 0 HA THR A 9 6.754 -14.172 4.885 1.00 0.17 H new ATOM 0 HB THR A 9 7.721 -13.055 7.549 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.545 -14.440 7.114 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.644 -15.439 8.222 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.039 -14.871 7.703 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.024 -15.875 6.612 1.00 0.23 H new ATOM 156 N ALA A 10 5.425 -11.779 6.739 1.00 0.15 N ATOM 157 CA ALA A 10 4.107 -11.263 7.201 1.00 0.15 C ATOM 158 C ALA A 10 3.290 -10.815 5.988 1.00 0.14 C ATOM 159 O ALA A 10 2.079 -10.889 5.982 1.00 0.15 O ATOM 160 CB ALA A 10 4.319 -10.086 8.159 1.00 0.17 C ATOM 0 H ALA A 10 6.230 -11.204 6.988 1.00 0.15 H new ATOM 0 HA ALA A 10 3.568 -12.050 7.728 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.352 -9.711 8.495 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.899 -10.418 9.020 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.858 -9.290 7.644 1.00 0.17 H new ATOM 166 N PHE A 11 3.944 -10.353 4.956 1.00 0.14 N ATOM 167 CA PHE A 11 3.197 -9.900 3.748 1.00 0.13 C ATOM 168 C PHE A 11 2.384 -11.064 3.203 1.00 0.14 C ATOM 169 O PHE A 11 1.228 -10.924 2.853 1.00 0.14 O ATOM 170 CB PHE A 11 4.208 -9.467 2.676 1.00 0.14 C ATOM 171 CG PHE A 11 3.497 -8.790 1.525 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.861 -7.558 1.719 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.489 -9.386 0.254 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.214 -6.927 0.649 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.842 -8.753 -0.814 1.00 0.14 C ATOM 176 CZ PHE A 11 2.203 -7.525 -0.617 1.00 0.14 C ATOM 0 H PHE A 11 4.959 -10.270 4.897 1.00 0.14 H new ATOM 0 HA PHE A 11 2.539 -9.071 4.007 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.940 -8.786 3.111 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.757 -10.336 2.313 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.869 -7.094 2.694 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.983 -10.334 0.100 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.723 -5.977 0.801 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.836 -9.214 -1.791 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.702 -7.038 -1.440 1.00 0.14 H new ATOM 186 N GLN A 12 2.981 -12.214 3.140 1.00 0.14 N ATOM 187 CA GLN A 12 2.252 -13.398 2.622 1.00 0.16 C ATOM 188 C GLN A 12 1.112 -13.732 3.585 1.00 0.15 C ATOM 189 O GLN A 12 0.012 -14.053 3.180 1.00 0.16 O ATOM 190 CB GLN A 12 3.226 -14.577 2.560 1.00 0.18 C ATOM 191 CG GLN A 12 4.347 -14.263 1.569 1.00 0.17 C ATOM 192 CD GLN A 12 3.765 -14.103 0.164 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.164 -15.014 -0.364 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.915 -12.969 -0.461 1.00 1.31 N ATOM 0 H GLN A 12 3.945 -12.387 3.425 1.00 0.14 H new ATOM 0 HA GLN A 12 1.848 -13.196 1.630 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.644 -14.769 3.548 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.700 -15.481 2.255 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.862 -13.349 1.866 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.087 -15.063 1.577 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.421 -12.204 -0.015 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.526 -12.847 -1.396 1.00 1.31 H new ATOM 203 N GLU A 13 1.371 -13.643 4.862 1.00 0.16 N ATOM 204 CA GLU A 13 0.318 -13.937 5.876 1.00 0.17 C ATOM 205 C GLU A 13 -0.808 -12.909 5.785 1.00 0.15 C ATOM 206 O GLU A 13 -1.967 -13.225 5.961 1.00 0.16 O ATOM 207 CB GLU A 13 0.948 -13.895 7.273 1.00 0.19 C ATOM 208 CG GLU A 13 1.982 -15.017 7.413 1.00 0.28 C ATOM 209 CD GLU A 13 1.287 -16.379 7.307 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.213 -16.518 7.869 1.00 1.67 O ATOM 211 OE2 GLU A 13 1.844 -17.258 6.672 1.00 1.77 O ATOM 0 H GLU A 13 2.276 -13.377 5.249 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.100 -14.926 5.687 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.423 -12.928 7.438 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.175 -14.004 8.034 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.741 -14.924 6.636 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.495 -14.934 8.371 1.00 0.28 H new ATOM 218 N ALA A 14 -0.474 -11.677 5.522 1.00 0.15 N ATOM 219 CA ALA A 14 -1.522 -10.627 5.429 1.00 0.14 C ATOM 220 C ALA A 14 -2.384 -10.892 4.201 1.00 0.13 C ATOM 221 O ALA A 14 -3.592 -10.781 4.239 1.00 0.13 O ATOM 222 CB ALA A 14 -0.859 -9.253 5.307 1.00 0.15 C ATOM 0 H ALA A 14 0.481 -11.353 5.367 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.144 -10.646 6.324 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.627 -8.483 5.239 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.238 -9.069 6.184 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.238 -9.227 4.411 1.00 0.15 H new ATOM 228 N LEU A 15 -1.771 -11.247 3.108 1.00 0.12 N ATOM 229 CA LEU A 15 -2.557 -11.523 1.883 1.00 0.12 C ATOM 230 C LEU A 15 -3.511 -12.677 2.167 1.00 0.13 C ATOM 231 O LEU A 15 -4.654 -12.673 1.754 1.00 0.13 O ATOM 232 CB LEU A 15 -1.600 -11.913 0.755 1.00 0.13 C ATOM 233 CG LEU A 15 -0.791 -10.685 0.311 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.424 -11.143 -0.505 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.664 -9.738 -0.538 1.00 0.17 C ATOM 0 H LEU A 15 -0.761 -11.357 3.013 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.124 -10.640 1.588 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.927 -12.701 1.093 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.162 -12.314 -0.089 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.456 -10.145 1.196 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.999 -10.273 -0.821 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.052 -11.790 0.108 1.00 0.17 H new ATOM 0 HD13 LEU A 15 0.086 -11.693 -1.383 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.073 -8.874 -0.843 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.019 -10.266 -1.423 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.518 -9.404 0.052 1.00 0.17 H new ATOM 247 N ASP A 16 -3.045 -13.664 2.879 1.00 0.13 N ATOM 248 CA ASP A 16 -3.911 -14.827 3.202 1.00 0.15 C ATOM 249 C ASP A 16 -5.001 -14.417 4.197 1.00 0.15 C ATOM 250 O ASP A 16 -6.124 -14.874 4.121 1.00 0.16 O ATOM 251 CB ASP A 16 -3.060 -15.942 3.814 1.00 0.17 C ATOM 252 CG ASP A 16 -3.874 -17.237 3.860 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.015 -17.183 4.287 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.340 -18.262 3.468 1.00 1.07 O ATOM 0 H ASP A 16 -2.097 -13.714 3.252 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.382 -15.182 2.285 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.155 -16.089 3.224 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.743 -15.663 4.819 1.00 0.17 H new ATOM 259 N ALA A 17 -4.672 -13.581 5.146 1.00 0.15 N ATOM 260 CA ALA A 17 -5.687 -13.166 6.157 1.00 0.16 C ATOM 261 C ALA A 17 -6.760 -12.305 5.496 1.00 0.15 C ATOM 262 O ALA A 17 -7.926 -12.391 5.821 1.00 0.17 O ATOM 263 CB ALA A 17 -5.011 -12.364 7.272 1.00 0.18 C ATOM 0 H ALA A 17 -3.747 -13.169 5.264 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.149 -14.059 6.579 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.757 -12.063 8.008 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.253 -12.980 7.755 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.541 -11.476 6.848 1.00 0.18 H new ATOM 269 N ALA A 18 -6.378 -11.475 4.571 1.00 0.14 N ATOM 270 CA ALA A 18 -7.382 -10.610 3.897 1.00 0.15 C ATOM 271 C ALA A 18 -8.420 -11.489 3.201 1.00 0.14 C ATOM 272 O ALA A 18 -9.572 -11.125 3.073 1.00 0.17 O ATOM 273 CB ALA A 18 -6.686 -9.729 2.864 1.00 0.15 C ATOM 0 H ALA A 18 -5.416 -11.357 4.252 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.874 -9.979 4.637 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.423 -9.095 2.371 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.944 -9.104 3.360 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.193 -10.358 2.122 1.00 0.15 H new ATOM 279 N GLY A 19 -8.023 -12.646 2.754 1.00 0.16 N ATOM 280 CA GLY A 19 -8.986 -13.551 2.070 1.00 0.20 C ATOM 281 C GLY A 19 -9.445 -12.924 0.752 1.00 0.16 C ATOM 282 O GLY A 19 -8.644 -12.545 -0.078 1.00 0.17 O ATOM 0 H GLY A 19 -7.071 -13.005 2.833 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.518 -14.517 1.880 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.846 -13.735 2.714 1.00 0.20 H new ATOM 286 N ASP A 20 -10.731 -12.824 0.548 1.00 0.15 N ATOM 287 CA ASP A 20 -11.256 -12.243 -0.725 1.00 0.14 C ATOM 288 C ASP A 20 -11.437 -10.726 -0.594 1.00 0.12 C ATOM 289 O ASP A 20 -11.881 -10.068 -1.515 1.00 0.13 O ATOM 290 CB ASP A 20 -12.605 -12.886 -1.050 1.00 0.15 C ATOM 291 CG ASP A 20 -12.425 -14.393 -1.233 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.362 -14.792 -1.679 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.353 -15.122 -0.925 1.00 1.07 O ATOM 0 H ASP A 20 -11.446 -13.121 1.212 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.541 -12.441 -1.523 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.316 -12.689 -0.247 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.019 -12.446 -1.957 1.00 0.15 H new ATOM 298 N LYS A 21 -11.105 -10.159 0.532 1.00 0.12 N ATOM 299 CA LYS A 21 -11.274 -8.683 0.694 1.00 0.12 C ATOM 300 C LYS A 21 -10.201 -7.956 -0.112 1.00 0.10 C ATOM 301 O LYS A 21 -9.110 -8.456 -0.304 1.00 0.11 O ATOM 302 CB LYS A 21 -11.120 -8.297 2.170 1.00 0.15 C ATOM 303 CG LYS A 21 -12.313 -8.817 2.981 1.00 0.21 C ATOM 304 CD LYS A 21 -12.410 -8.050 4.306 1.00 0.31 C ATOM 305 CE LYS A 21 -13.287 -8.833 5.290 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.705 -7.939 6.407 1.00 1.50 N ATOM 0 H LYS A 21 -10.726 -10.647 1.344 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.266 -8.402 0.341 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.193 -8.711 2.567 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.051 -7.213 2.265 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.234 -8.695 2.411 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.197 -9.883 3.174 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.415 -7.904 4.727 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.833 -7.060 4.135 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.165 -9.226 4.777 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.737 -9.689 5.682 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.300 -8.471 7.074 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.862 -7.585 6.902 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.245 -7.136 6.026 1.00 1.50 H new ATOM 320 N LEU A 22 -10.497 -6.775 -0.589 1.00 0.11 N ATOM 321 CA LEU A 22 -9.490 -6.023 -1.377 1.00 0.12 C ATOM 322 C LEU A 22 -8.273 -5.790 -0.468 1.00 0.12 C ATOM 323 O LEU A 22 -8.389 -5.804 0.742 1.00 0.14 O ATOM 324 CB LEU A 22 -10.118 -4.682 -1.818 1.00 0.15 C ATOM 325 CG LEU A 22 -9.732 -4.306 -3.261 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.278 -2.890 -3.596 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.201 -4.322 -3.431 1.00 0.47 C ATOM 0 H LEU A 22 -11.393 -6.303 -0.464 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.178 -6.568 -2.268 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.203 -4.748 -1.739 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.796 -3.892 -1.140 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.168 -5.037 -3.941 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.003 -2.626 -4.617 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.364 -2.887 -3.500 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.850 -2.163 -2.906 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.946 -4.054 -4.456 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.751 -3.604 -2.746 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.821 -5.320 -3.211 1.00 0.47 H new ATOM 339 N VAL A 23 -7.115 -5.586 -1.032 1.00 0.11 N ATOM 340 CA VAL A 23 -5.902 -5.363 -0.200 1.00 0.11 C ATOM 341 C VAL A 23 -5.014 -4.336 -0.885 1.00 0.11 C ATOM 342 O VAL A 23 -4.438 -4.594 -1.924 1.00 0.17 O ATOM 343 CB VAL A 23 -5.130 -6.673 -0.057 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.872 -6.430 0.778 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.008 -7.713 0.635 1.00 0.12 C ATOM 0 H VAL A 23 -6.957 -5.564 -2.039 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.197 -5.005 0.786 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.849 -7.039 -1.044 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.319 -7.363 0.882 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.244 -5.689 0.283 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.155 -6.064 1.765 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.455 -8.647 0.736 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.291 -7.350 1.623 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.905 -7.885 0.041 1.00 0.12 H new ATOM 355 N VAL A 24 -4.896 -3.172 -0.309 1.00 0.09 N ATOM 356 CA VAL A 24 -4.041 -2.116 -0.916 1.00 0.09 C ATOM 357 C VAL A 24 -2.704 -2.106 -0.180 1.00 0.09 C ATOM 358 O VAL A 24 -2.657 -2.279 1.020 1.00 0.10 O ATOM 359 CB VAL A 24 -4.723 -0.753 -0.761 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.935 0.310 -1.532 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.148 -0.833 -1.311 1.00 0.14 C ATOM 0 H VAL A 24 -5.358 -2.906 0.561 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.887 -2.316 -1.976 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.754 -0.482 0.294 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.423 1.278 -1.419 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.920 0.367 -1.138 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.900 0.042 -2.588 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.635 0.136 -1.202 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.116 -1.106 -2.366 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.710 -1.586 -0.758 1.00 0.14 H new ATOM 371 N VAL A 25 -1.614 -1.927 -0.886 1.00 0.09 N ATOM 372 CA VAL A 25 -0.272 -1.923 -0.219 1.00 0.09 C ATOM 373 C VAL A 25 0.453 -0.619 -0.553 1.00 0.10 C ATOM 374 O VAL A 25 0.649 -0.284 -1.705 1.00 0.11 O ATOM 375 CB VAL A 25 0.550 -3.111 -0.731 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.865 -3.194 0.042 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.232 -4.415 -0.533 1.00 0.10 C ATOM 0 H VAL A 25 -1.595 -1.783 -1.896 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.396 -2.004 0.861 1.00 0.09 H new ATOM 0 HB VAL A 25 0.753 -2.969 -1.792 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.449 -4.039 -0.323 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.430 -2.273 -0.102 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.655 -3.329 1.103 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.360 -5.254 -0.900 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.443 -4.556 0.527 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.170 -4.364 -1.086 1.00 0.10 H new ATOM 387 N ASP A 26 0.858 0.117 0.451 1.00 0.11 N ATOM 388 CA ASP A 26 1.580 1.409 0.210 1.00 0.12 C ATOM 389 C ASP A 26 3.084 1.211 0.438 1.00 0.14 C ATOM 390 O ASP A 26 3.522 0.883 1.521 1.00 0.20 O ATOM 391 CB ASP A 26 1.052 2.471 1.181 1.00 0.14 C ATOM 392 CG ASP A 26 1.687 3.823 0.849 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.719 4.168 -0.321 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.126 4.491 1.771 1.00 1.04 O ATOM 0 H ASP A 26 0.720 -0.121 1.433 1.00 0.11 H new ATOM 0 HA ASP A 26 1.412 1.733 -0.817 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.033 2.539 1.108 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.286 2.189 2.208 1.00 0.14 H new ATOM 399 N PHE A 27 3.877 1.416 -0.578 1.00 0.13 N ATOM 400 CA PHE A 27 5.361 1.256 -0.448 1.00 0.13 C ATOM 401 C PHE A 27 6.009 2.610 -0.165 1.00 0.22 C ATOM 402 O PHE A 27 7.169 2.817 -0.454 1.00 0.73 O ATOM 403 CB PHE A 27 5.936 0.693 -1.754 1.00 0.11 C ATOM 404 CG PHE A 27 5.662 -0.785 -1.850 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.517 -1.686 -1.205 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.573 -1.260 -2.590 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.285 -3.061 -1.298 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.340 -2.638 -2.681 1.00 0.14 C ATOM 409 CZ PHE A 27 5.197 -3.538 -2.036 1.00 0.14 C ATOM 0 H PHE A 27 3.559 1.692 -1.507 1.00 0.13 H new ATOM 0 HA PHE A 27 5.570 0.572 0.374 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.493 1.208 -2.606 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.010 0.874 -1.795 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.357 -1.318 -0.635 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.914 -0.565 -3.090 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.946 -3.755 -0.800 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.499 -3.007 -3.249 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.018 -4.601 -2.108 1.00 0.14 H new ATOM 419 N SER A 28 5.279 3.546 0.365 1.00 0.30 N ATOM 420 CA SER A 28 5.886 4.882 0.611 1.00 0.24 C ATOM 421 C SER A 28 7.081 4.749 1.541 1.00 0.24 C ATOM 422 O SER A 28 7.105 3.934 2.441 1.00 0.28 O ATOM 423 CB SER A 28 4.864 5.817 1.253 1.00 0.27 C ATOM 424 OG SER A 28 3.747 5.965 0.386 1.00 0.29 O ATOM 0 H SER A 28 4.301 3.448 0.636 1.00 0.30 H new ATOM 0 HA SER A 28 6.207 5.294 -0.346 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.541 5.416 2.214 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.317 6.789 1.449 1.00 0.27 H new ATOM 0 HG SER A 28 2.919 5.824 0.892 1.00 0.29 H new ATOM 430 N ALA A 29 8.074 5.567 1.331 1.00 0.20 N ATOM 431 CA ALA A 29 9.277 5.518 2.198 1.00 0.21 C ATOM 432 C ALA A 29 8.982 6.323 3.456 1.00 0.22 C ATOM 433 O ALA A 29 8.588 7.471 3.394 1.00 0.22 O ATOM 434 CB ALA A 29 10.479 6.127 1.445 1.00 0.19 C ATOM 0 H ALA A 29 8.101 6.270 0.592 1.00 0.20 H new ATOM 0 HA ALA A 29 9.520 4.489 2.463 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.363 6.091 2.082 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.664 5.557 0.534 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.260 7.163 1.187 1.00 0.19 H new ATOM 440 N THR A 30 9.174 5.735 4.597 1.00 0.23 N ATOM 441 CA THR A 30 8.906 6.476 5.849 1.00 0.24 C ATOM 442 C THR A 30 9.944 7.589 5.978 1.00 0.22 C ATOM 443 O THR A 30 9.686 8.634 6.540 1.00 0.22 O ATOM 444 CB THR A 30 9.033 5.521 7.036 1.00 0.28 C ATOM 445 OG1 THR A 30 8.812 6.236 8.244 1.00 0.30 O ATOM 446 CG2 THR A 30 10.434 4.904 7.043 1.00 0.29 C ATOM 0 H THR A 30 9.504 4.777 4.716 1.00 0.23 H new ATOM 0 HA THR A 30 7.901 6.898 5.833 1.00 0.24 H new ATOM 0 HB THR A 30 8.292 4.727 6.950 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.892 5.624 9.005 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.527 4.223 7.889 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.594 4.355 6.115 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.179 5.695 7.130 1.00 0.29 H new ATOM 454 N TRP A 31 11.119 7.370 5.450 1.00 0.22 N ATOM 455 CA TRP A 31 12.180 8.412 5.541 1.00 0.21 C ATOM 456 C TRP A 31 11.915 9.542 4.538 1.00 0.19 C ATOM 457 O TRP A 31 12.495 10.606 4.631 1.00 0.22 O ATOM 458 CB TRP A 31 13.528 7.782 5.226 1.00 0.23 C ATOM 459 CG TRP A 31 13.504 7.225 3.841 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.223 5.944 3.524 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.735 7.915 2.583 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.326 5.788 2.154 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.625 6.980 1.528 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.043 9.246 2.259 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.811 7.355 0.200 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.226 9.628 0.922 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.111 8.683 -0.105 1.00 0.21 C ATOM 0 H TRP A 31 11.388 6.516 4.961 1.00 0.22 H new ATOM 0 HA TRP A 31 12.178 8.824 6.550 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.320 8.526 5.317 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.749 6.992 5.944 1.00 0.23 H new ATOM 0 HD1 TRP A 31 12.960 5.167 4.226 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.197 4.901 1.667 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.140 9.981 3.045 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.724 6.623 -0.589 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.457 10.656 0.683 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.254 8.982 -1.133 1.00 0.21 H new ATOM 478 N CYS A 32 11.049 9.332 3.579 1.00 0.18 N ATOM 479 CA CYS A 32 10.765 10.414 2.588 1.00 0.17 C ATOM 480 C CYS A 32 9.671 11.324 3.165 1.00 0.17 C ATOM 481 O CYS A 32 8.589 10.884 3.502 1.00 0.20 O ATOM 482 CB CYS A 32 10.318 9.785 1.254 1.00 0.18 C ATOM 483 SG CYS A 32 10.236 11.065 -0.036 1.00 0.26 S ATOM 0 H CYS A 32 10.530 8.465 3.440 1.00 0.18 H new ATOM 0 HA CYS A 32 11.659 11.008 2.397 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.017 9.003 0.958 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.343 9.313 1.373 1.00 0.18 H new ATOM 488 N GLY A 33 9.973 12.588 3.316 1.00 0.20 N ATOM 489 CA GLY A 33 8.992 13.546 3.911 1.00 0.23 C ATOM 490 C GLY A 33 7.737 13.726 3.042 1.00 0.21 C ATOM 491 O GLY A 33 6.633 13.578 3.529 1.00 0.22 O ATOM 0 H GLY A 33 10.867 13.002 3.050 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.697 13.191 4.899 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.474 14.514 4.051 1.00 0.23 H new ATOM 495 N PRO A 34 7.871 14.058 1.780 1.00 0.21 N ATOM 496 CA PRO A 34 6.669 14.249 0.928 1.00 0.22 C ATOM 497 C PRO A 34 5.826 12.971 0.816 1.00 0.22 C ATOM 498 O PRO A 34 4.625 13.032 0.672 1.00 0.24 O ATOM 499 CB PRO A 34 7.271 14.690 -0.422 1.00 0.29 C ATOM 500 CG PRO A 34 8.801 14.511 -0.347 1.00 0.31 C ATOM 501 CD PRO A 34 9.192 14.262 1.122 1.00 0.24 C ATOM 0 HA PRO A 34 5.967 14.978 1.333 1.00 0.22 H new ATOM 0 HB2 PRO A 34 6.858 14.094 -1.236 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.019 15.730 -0.629 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.115 13.674 -0.970 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.305 15.399 -0.728 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.836 13.389 1.228 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.730 15.109 1.547 1.00 0.24 H new ATOM 509 N ALA A 35 6.439 11.821 0.898 1.00 0.21 N ATOM 510 CA ALA A 35 5.653 10.555 0.805 1.00 0.23 C ATOM 511 C ALA A 35 4.941 10.296 2.141 1.00 0.23 C ATOM 512 O ALA A 35 3.758 10.025 2.179 1.00 0.22 O ATOM 513 CB ALA A 35 6.594 9.389 0.472 1.00 0.24 C ATOM 0 H ALA A 35 7.444 11.702 1.025 1.00 0.21 H new ATOM 0 HA ALA A 35 4.907 10.644 0.015 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.019 8.465 0.404 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.087 9.580 -0.481 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.345 9.292 1.256 1.00 0.24 H new ATOM 519 N LYS A 36 5.647 10.395 3.239 1.00 0.25 N ATOM 520 CA LYS A 36 5.002 10.173 4.569 1.00 0.27 C ATOM 521 C LYS A 36 3.874 11.186 4.753 1.00 0.26 C ATOM 522 O LYS A 36 2.888 10.927 5.411 1.00 0.27 O ATOM 523 CB LYS A 36 6.031 10.350 5.686 1.00 0.33 C ATOM 524 CG LYS A 36 5.421 9.908 7.020 1.00 0.37 C ATOM 525 CD LYS A 36 6.365 10.296 8.157 1.00 0.44 C ATOM 526 CE LYS A 36 5.816 9.782 9.489 1.00 0.89 C ATOM 527 NZ LYS A 36 6.806 10.064 10.568 1.00 1.59 N ATOM 0 H LYS A 36 6.641 10.620 3.272 1.00 0.25 H new ATOM 0 HA LYS A 36 4.602 9.160 4.611 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.923 9.762 5.469 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.343 11.393 5.745 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.448 10.379 7.162 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.257 8.830 7.019 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.356 9.879 7.977 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.477 11.380 8.194 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.866 10.265 9.715 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.622 8.711 9.427 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.438 9.716 11.476 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.702 9.583 10.351 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.969 11.089 10.630 1.00 1.59 H new ATOM 541 N MET A 37 4.025 12.343 4.175 1.00 0.28 N ATOM 542 CA MET A 37 2.983 13.401 4.301 1.00 0.30 C ATOM 543 C MET A 37 1.656 12.882 3.736 1.00 0.25 C ATOM 544 O MET A 37 0.598 13.307 4.140 1.00 0.25 O ATOM 545 CB MET A 37 3.446 14.641 3.528 1.00 0.38 C ATOM 546 CG MET A 37 2.485 15.810 3.773 1.00 0.44 C ATOM 547 SD MET A 37 0.985 15.594 2.781 1.00 1.54 S ATOM 548 CE MET A 37 1.615 16.311 1.242 1.00 2.10 C ATOM 0 H MET A 37 4.835 12.605 3.614 1.00 0.28 H new ATOM 0 HA MET A 37 2.835 13.663 5.349 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.453 14.918 3.840 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.493 14.417 2.462 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.227 15.865 4.831 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.970 16.751 3.514 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.203 15.767 0.392 1.00 2.10 H new ATOM 0 HE2 MET A 37 1.319 17.358 1.181 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.703 16.240 1.226 1.00 2.10 H new ATOM 558 N ILE A 38 1.715 11.981 2.791 1.00 0.23 N ATOM 559 CA ILE A 38 0.469 11.421 2.171 1.00 0.25 C ATOM 560 C ILE A 38 -0.136 10.309 3.046 1.00 0.26 C ATOM 561 O ILE A 38 -1.164 9.751 2.719 1.00 0.31 O ATOM 562 CB ILE A 38 0.791 10.833 0.783 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.753 11.765 0.045 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.503 10.688 -0.032 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.181 11.128 -1.273 1.00 0.49 C ATOM 0 H ILE A 38 2.584 11.602 2.415 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.251 12.235 2.080 1.00 0.25 H new ATOM 0 HB ILE A 38 1.252 9.853 0.906 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.271 12.724 -0.144 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.628 11.964 0.664 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.271 10.272 -1.012 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.190 10.023 0.491 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.968 11.666 -0.154 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.866 11.796 -1.795 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.680 10.180 -1.074 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.303 10.952 -1.894 1.00 0.49 H new ATOM 577 N LYS A 39 0.498 9.930 4.122 1.00 0.27 N ATOM 578 CA LYS A 39 -0.070 8.804 4.923 1.00 0.34 C ATOM 579 C LYS A 39 -1.491 9.087 5.465 1.00 0.30 C ATOM 580 O LYS A 39 -2.250 8.160 5.635 1.00 0.33 O ATOM 581 CB LYS A 39 0.868 8.381 6.085 1.00 0.46 C ATOM 582 CG LYS A 39 0.769 9.309 7.322 1.00 0.50 C ATOM 583 CD LYS A 39 1.281 8.565 8.569 1.00 0.65 C ATOM 584 CE LYS A 39 0.330 7.408 8.955 1.00 0.80 C ATOM 585 NZ LYS A 39 0.835 6.128 8.374 1.00 0.75 N ATOM 0 H LYS A 39 1.363 10.338 4.476 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.152 7.975 4.220 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.627 7.361 6.384 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.898 8.373 5.727 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.356 10.213 7.159 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.264 9.623 7.472 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.279 8.171 8.377 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.368 9.262 9.402 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.264 7.325 10.040 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.676 7.613 8.589 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.111 5.722 7.747 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.701 6.312 7.829 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.044 5.457 9.141 1.00 0.75 H new ATOM 599 N PRO A 40 -1.874 10.312 5.789 1.00 0.26 N ATOM 600 CA PRO A 40 -3.240 10.541 6.349 1.00 0.25 C ATOM 601 C PRO A 40 -4.358 10.088 5.414 1.00 0.20 C ATOM 602 O PRO A 40 -5.341 9.543 5.849 1.00 0.21 O ATOM 603 CB PRO A 40 -3.246 12.065 6.550 1.00 0.26 C ATOM 604 CG PRO A 40 -1.786 12.500 6.570 1.00 0.28 C ATOM 605 CD PRO A 40 -1.050 11.543 5.635 1.00 0.27 C ATOM 0 HA PRO A 40 -3.428 9.968 7.257 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.788 12.561 5.745 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.744 12.332 7.482 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.681 13.532 6.234 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.378 12.451 7.579 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.033 11.902 4.606 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.014 11.387 5.936 1.00 0.27 H new ATOM 613 N PHE A 41 -4.235 10.308 4.137 1.00 0.16 N ATOM 614 CA PHE A 41 -5.333 9.864 3.235 1.00 0.13 C ATOM 615 C PHE A 41 -5.351 8.338 3.194 1.00 0.13 C ATOM 616 O PHE A 41 -6.362 7.699 3.396 1.00 0.15 O ATOM 617 CB PHE A 41 -5.067 10.377 1.829 1.00 0.14 C ATOM 618 CG PHE A 41 -5.220 11.872 1.797 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.204 12.682 2.307 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.372 12.445 1.252 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.338 14.074 2.276 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.508 13.836 1.219 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.491 14.652 1.732 1.00 0.37 C ATOM 0 H PHE A 41 -3.442 10.765 3.686 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.285 10.249 3.601 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.061 10.098 1.514 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.761 9.916 1.126 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.315 12.234 2.725 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.155 11.815 0.857 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.553 14.702 2.671 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.397 14.282 0.798 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.597 15.727 1.708 1.00 0.37 H new ATOM 633 N PHE A 42 -4.212 7.753 2.975 1.00 0.12 N ATOM 634 CA PHE A 42 -4.118 6.272 2.939 1.00 0.13 C ATOM 635 C PHE A 42 -4.568 5.719 4.290 1.00 0.14 C ATOM 636 O PHE A 42 -5.423 4.862 4.375 1.00 0.16 O ATOM 637 CB PHE A 42 -2.656 5.902 2.654 1.00 0.13 C ATOM 638 CG PHE A 42 -2.490 4.404 2.640 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.809 3.668 1.491 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.031 3.747 3.788 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.668 2.276 1.493 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.889 2.356 3.789 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.209 1.620 2.640 1.00 0.13 C ATOM 0 H PHE A 42 -3.332 8.243 2.818 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.756 5.849 2.163 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.349 6.318 1.695 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -2.008 6.340 3.413 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.163 4.174 0.605 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.786 4.315 4.673 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.914 1.708 0.608 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.533 1.849 4.674 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.101 0.545 2.640 1.00 0.13 H new ATOM 653 N HIS A 43 -4.006 6.235 5.342 1.00 0.16 N ATOM 654 CA HIS A 43 -4.372 5.787 6.715 1.00 0.18 C ATOM 655 C HIS A 43 -5.822 6.162 7.047 1.00 0.16 C ATOM 656 O HIS A 43 -6.560 5.378 7.604 1.00 0.16 O ATOM 657 CB HIS A 43 -3.417 6.470 7.707 1.00 0.23 C ATOM 658 CG HIS A 43 -3.761 6.068 9.109 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.138 5.015 9.754 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.702 6.542 9.984 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.715 4.884 10.966 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.675 5.791 11.157 1.00 0.31 N ATOM 0 H HIS A 43 -3.293 6.964 5.310 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.286 4.702 6.780 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.387 6.193 7.483 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.485 7.553 7.603 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.365 7.373 9.793 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.434 4.136 11.693 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.262 5.909 11.983 1.00 0.31 H new ATOM 670 N SER A 44 -6.234 7.356 6.729 1.00 0.15 N ATOM 671 CA SER A 44 -7.634 7.770 7.047 1.00 0.15 C ATOM 672 C SER A 44 -8.644 6.902 6.283 1.00 0.13 C ATOM 673 O SER A 44 -9.679 6.535 6.801 1.00 0.15 O ATOM 674 CB SER A 44 -7.846 9.240 6.680 1.00 0.18 C ATOM 675 OG SER A 44 -6.967 10.047 7.455 1.00 0.22 O ATOM 0 H SER A 44 -5.666 8.064 6.264 1.00 0.15 H new ATOM 0 HA SER A 44 -7.792 7.637 8.117 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.657 9.393 5.617 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.881 9.528 6.865 1.00 0.18 H new ATOM 0 HG SER A 44 -6.043 9.892 7.169 1.00 0.22 H new ATOM 681 N LEU A 45 -8.358 6.590 5.045 1.00 0.12 N ATOM 682 CA LEU A 45 -9.308 5.771 4.231 1.00 0.14 C ATOM 683 C LEU A 45 -9.520 4.402 4.870 1.00 0.13 C ATOM 684 O LEU A 45 -10.520 3.752 4.638 1.00 0.15 O ATOM 685 CB LEU A 45 -8.755 5.579 2.818 1.00 0.16 C ATOM 686 CG LEU A 45 -8.817 6.908 2.037 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.832 6.862 0.866 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.234 7.144 1.491 1.00 0.22 C ATOM 0 H LEU A 45 -7.504 6.868 4.561 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.261 6.299 4.187 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.725 5.225 2.868 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.330 4.814 2.295 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.554 7.721 2.714 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.877 7.802 0.315 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.821 6.712 1.246 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.095 6.039 0.201 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.260 8.086 0.943 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.507 6.327 0.823 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.941 7.187 2.320 1.00 0.22 H new ATOM 700 N SER A 46 -8.591 3.940 5.658 1.00 0.12 N ATOM 701 CA SER A 46 -8.766 2.600 6.280 1.00 0.12 C ATOM 702 C SER A 46 -10.124 2.558 6.970 1.00 0.14 C ATOM 703 O SER A 46 -10.829 1.571 6.917 1.00 0.16 O ATOM 704 CB SER A 46 -7.664 2.365 7.317 1.00 0.13 C ATOM 705 OG SER A 46 -6.396 2.430 6.678 1.00 0.14 O ATOM 0 H SER A 46 -7.727 4.426 5.896 1.00 0.12 H new ATOM 0 HA SER A 46 -8.708 1.826 5.515 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.725 3.115 8.106 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.796 1.392 7.791 1.00 0.13 H new ATOM 0 HG SER A 46 -6.032 3.336 6.765 1.00 0.14 H new ATOM 711 N GLU A 47 -10.500 3.624 7.615 1.00 0.15 N ATOM 712 CA GLU A 47 -11.821 3.651 8.297 1.00 0.18 C ATOM 713 C GLU A 47 -12.911 4.046 7.291 1.00 0.18 C ATOM 714 O GLU A 47 -14.086 3.860 7.543 1.00 0.21 O ATOM 715 CB GLU A 47 -11.783 4.667 9.444 1.00 0.22 C ATOM 716 CG GLU A 47 -10.799 4.195 10.525 1.00 0.23 C ATOM 717 CD GLU A 47 -11.301 2.897 11.166 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.463 2.576 10.983 1.00 2.16 O ATOM 719 OE2 GLU A 47 -10.512 2.250 11.837 1.00 2.05 O ATOM 0 H GLU A 47 -9.949 4.478 7.700 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.044 2.662 8.698 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.482 5.644 9.067 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.779 4.784 9.872 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.814 4.035 10.086 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.687 4.966 11.287 1.00 0.23 H new ATOM 726 N LYS A 48 -12.545 4.583 6.146 1.00 0.17 N ATOM 727 CA LYS A 48 -13.594 4.960 5.152 1.00 0.19 C ATOM 728 C LYS A 48 -14.062 3.685 4.477 1.00 0.18 C ATOM 729 O LYS A 48 -15.233 3.496 4.217 1.00 0.21 O ATOM 730 CB LYS A 48 -13.034 5.917 4.101 1.00 0.20 C ATOM 731 CG LYS A 48 -14.178 6.387 3.196 1.00 0.30 C ATOM 732 CD LYS A 48 -13.623 7.280 2.087 1.00 0.82 C ATOM 733 CE LYS A 48 -14.771 7.764 1.201 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.224 8.604 0.099 1.00 1.78 N ATOM 0 H LYS A 48 -11.583 4.772 5.865 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.417 5.465 5.658 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.560 6.772 4.584 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.266 5.419 3.509 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.689 5.527 2.763 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.917 6.934 3.782 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.099 8.132 2.520 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.896 6.728 1.490 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.312 6.912 0.790 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.484 8.339 1.792 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.003 8.934 -0.505 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.726 9.424 0.502 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.560 8.041 -0.470 1.00 1.78 H new ATOM 748 N TYR A 49 -13.142 2.793 4.228 1.00 0.16 N ATOM 749 CA TYR A 49 -13.492 1.482 3.607 1.00 0.17 C ATOM 750 C TYR A 49 -13.027 0.402 4.575 1.00 0.16 C ATOM 751 O TYR A 49 -12.110 -0.347 4.306 1.00 0.16 O ATOM 752 CB TYR A 49 -12.770 1.326 2.260 1.00 0.17 C ATOM 753 CG TYR A 49 -13.274 2.373 1.291 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.559 2.256 0.749 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.465 3.462 0.939 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.036 3.224 -0.141 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.945 4.431 0.048 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.230 4.311 -0.490 1.00 0.21 C ATOM 759 OH TYR A 49 -14.704 5.266 -1.367 1.00 0.25 O ATOM 0 H TYR A 49 -12.150 2.918 4.431 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.564 1.410 3.421 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.694 1.431 2.398 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.943 0.328 1.856 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.183 1.417 1.018 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.472 3.554 1.354 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.028 3.131 -0.559 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.322 5.271 -0.223 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.020 5.954 -1.502 1.00 0.25 H new ATOM 769 N SER A 50 -13.669 0.323 5.712 1.00 0.17 N ATOM 770 CA SER A 50 -13.283 -0.689 6.725 1.00 0.18 C ATOM 771 C SER A 50 -13.514 -2.076 6.132 1.00 0.19 C ATOM 772 O SER A 50 -13.096 -3.078 6.676 1.00 0.21 O ATOM 773 CB SER A 50 -14.127 -0.494 7.986 1.00 0.20 C ATOM 774 OG SER A 50 -15.455 -0.936 7.740 1.00 0.22 O ATOM 0 H SER A 50 -14.449 0.923 5.979 1.00 0.17 H new ATOM 0 HA SER A 50 -12.232 -0.581 6.995 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.694 -1.052 8.816 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.130 0.557 8.276 1.00 0.20 H new ATOM 0 HG SER A 50 -15.996 -0.813 8.548 1.00 0.22 H new ATOM 780 N ASN A 51 -14.164 -2.136 4.997 1.00 0.20 N ATOM 781 CA ASN A 51 -14.410 -3.449 4.337 1.00 0.23 C ATOM 782 C ASN A 51 -13.239 -3.736 3.398 1.00 0.19 C ATOM 783 O ASN A 51 -13.261 -4.665 2.614 1.00 0.22 O ATOM 784 CB ASN A 51 -15.712 -3.380 3.530 1.00 0.32 C ATOM 785 CG ASN A 51 -16.128 -4.786 3.093 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.533 -5.593 3.905 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.051 -5.114 1.832 1.00 0.27 N ATOM 0 H ASN A 51 -14.535 -1.327 4.499 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.498 -4.239 5.083 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.500 -2.929 4.133 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.575 -2.743 2.656 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.331 -6.047 1.530 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.711 -4.437 1.149 1.00 0.27 H new ATOM 794 N VAL A 52 -12.207 -2.935 3.496 1.00 0.21 N ATOM 795 CA VAL A 52 -10.991 -3.119 2.653 1.00 0.17 C ATOM 796 C VAL A 52 -9.778 -3.151 3.581 1.00 0.13 C ATOM 797 O VAL A 52 -9.751 -2.472 4.588 1.00 0.14 O ATOM 798 CB VAL A 52 -10.883 -1.955 1.660 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.497 -1.954 0.998 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.967 -2.111 0.589 1.00 0.24 C ATOM 0 H VAL A 52 -12.158 -2.145 4.140 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.044 -4.048 2.086 1.00 0.17 H new ATOM 0 HB VAL A 52 -11.019 -1.012 2.189 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.430 -1.124 0.295 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.728 -1.844 1.763 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.347 -2.893 0.466 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.898 -1.287 -0.122 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.827 -3.056 0.064 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.949 -2.101 1.061 1.00 0.24 H new ATOM 810 N ILE A 53 -8.787 -3.951 3.281 1.00 0.11 N ATOM 811 CA ILE A 53 -7.596 -4.032 4.186 1.00 0.09 C ATOM 812 C ILE A 53 -6.456 -3.176 3.611 1.00 0.09 C ATOM 813 O ILE A 53 -5.998 -3.407 2.508 1.00 0.12 O ATOM 814 CB ILE A 53 -7.145 -5.496 4.263 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.363 -6.393 4.541 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.115 -5.669 5.391 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.134 -5.895 5.767 1.00 0.15 C ATOM 0 H ILE A 53 -8.748 -4.548 2.455 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.854 -3.664 5.179 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.689 -5.780 3.315 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.020 -6.402 3.671 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -8.035 -7.420 4.704 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.800 -6.711 5.439 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.249 -5.037 5.193 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.565 -5.382 6.341 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.992 -6.544 5.946 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.480 -5.910 6.639 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.480 -4.877 5.590 1.00 0.15 H new ATOM 829 N PHE A 54 -5.990 -2.191 4.350 1.00 0.08 N ATOM 830 CA PHE A 54 -4.870 -1.318 3.845 1.00 0.09 C ATOM 831 C PHE A 54 -3.552 -1.716 4.526 1.00 0.09 C ATOM 832 O PHE A 54 -3.457 -1.747 5.738 1.00 0.12 O ATOM 833 CB PHE A 54 -5.154 0.150 4.191 1.00 0.10 C ATOM 834 CG PHE A 54 -6.333 0.671 3.400 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.631 0.306 3.762 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.131 1.539 2.316 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.726 0.804 3.046 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.226 2.034 1.597 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.523 1.667 1.964 1.00 0.10 C ATOM 0 H PHE A 54 -6.335 -1.953 5.280 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.795 -1.445 2.765 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.356 0.244 5.258 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.273 0.755 3.979 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.791 -0.362 4.596 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.128 1.826 2.036 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.729 0.521 3.329 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.068 2.698 0.760 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.369 2.050 1.412 1.00 0.10 H new ATOM 849 N LEU A 55 -2.527 -2.006 3.753 1.00 0.09 N ATOM 850 CA LEU A 55 -1.192 -2.384 4.339 1.00 0.11 C ATOM 851 C LEU A 55 -0.181 -1.276 4.090 1.00 0.10 C ATOM 852 O LEU A 55 -0.164 -0.653 3.049 1.00 0.10 O ATOM 853 CB LEU A 55 -0.628 -3.671 3.705 1.00 0.12 C ATOM 854 CG LEU A 55 -1.411 -4.917 4.139 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.911 -4.748 3.895 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.891 -6.116 3.349 1.00 0.22 C ATOM 0 H LEU A 55 -2.557 -1.997 2.733 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.352 -2.544 5.405 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.659 -3.584 2.619 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.419 -3.785 3.986 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.266 -5.070 5.208 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.435 -5.649 4.214 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.278 -3.894 4.464 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.090 -4.580 2.833 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.437 -7.012 3.645 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.035 -5.939 2.283 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.171 -6.254 3.554 1.00 0.22 H new ATOM 868 N GLU A 56 0.696 -1.068 5.032 1.00 0.12 N ATOM 869 CA GLU A 56 1.762 -0.041 4.872 1.00 0.13 C ATOM 870 C GLU A 56 3.093 -0.780 4.792 1.00 0.13 C ATOM 871 O GLU A 56 3.360 -1.664 5.583 1.00 0.14 O ATOM 872 CB GLU A 56 1.758 0.894 6.077 1.00 0.15 C ATOM 873 CG GLU A 56 2.675 2.081 5.790 1.00 0.17 C ATOM 874 CD GLU A 56 2.757 2.967 7.033 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.484 2.608 7.943 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.085 3.988 7.056 1.00 1.13 O ATOM 0 H GLU A 56 0.719 -1.573 5.918 1.00 0.12 H new ATOM 0 HA GLU A 56 1.598 0.555 3.974 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.745 1.242 6.280 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.097 0.363 6.966 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.669 1.729 5.514 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.294 2.654 4.945 1.00 0.17 H new ATOM 883 N VAL A 57 3.917 -0.461 3.825 1.00 0.12 N ATOM 884 CA VAL A 57 5.226 -1.180 3.671 1.00 0.12 C ATOM 885 C VAL A 57 6.379 -0.173 3.549 1.00 0.11 C ATOM 886 O VAL A 57 6.313 0.780 2.797 1.00 0.13 O ATOM 887 CB VAL A 57 5.159 -2.037 2.409 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.439 -2.860 2.277 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.961 -2.979 2.509 1.00 0.14 C ATOM 0 H VAL A 57 3.742 0.267 3.133 1.00 0.12 H new ATOM 0 HA VAL A 57 5.406 -1.805 4.546 1.00 0.12 H new ATOM 0 HB VAL A 57 5.053 -1.393 1.536 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.388 -3.470 1.375 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.297 -2.191 2.214 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.547 -3.507 3.148 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.906 -3.595 1.611 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.075 -3.621 3.383 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.046 -2.395 2.605 1.00 0.14 H new ATOM 899 N ASP A 58 7.442 -0.387 4.290 1.00 0.10 N ATOM 900 CA ASP A 58 8.621 0.537 4.238 1.00 0.09 C ATOM 901 C ASP A 58 9.646 -0.008 3.247 1.00 0.09 C ATOM 902 O ASP A 58 10.172 -1.088 3.423 1.00 0.09 O ATOM 903 CB ASP A 58 9.266 0.593 5.622 1.00 0.10 C ATOM 904 CG ASP A 58 10.321 1.702 5.659 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.372 2.479 4.719 1.00 1.05 O ATOM 906 OD2 ASP A 58 11.060 1.755 6.628 1.00 1.02 O ATOM 0 H ASP A 58 7.543 -1.171 4.935 1.00 0.10 H new ATOM 0 HA ASP A 58 8.295 1.530 3.929 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.505 0.777 6.381 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.726 -0.367 5.858 1.00 0.10 H new ATOM 911 N VAL A 59 9.973 0.726 2.225 1.00 0.09 N ATOM 912 CA VAL A 59 10.984 0.206 1.267 1.00 0.10 C ATOM 913 C VAL A 59 12.322 0.123 1.988 1.00 0.11 C ATOM 914 O VAL A 59 13.239 -0.546 1.553 1.00 0.12 O ATOM 915 CB VAL A 59 11.106 1.147 0.067 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.775 1.192 -0.680 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.468 2.558 0.531 1.00 0.16 C ATOM 0 H VAL A 59 9.592 1.648 2.012 1.00 0.09 H new ATOM 0 HA VAL A 59 10.683 -0.778 0.907 1.00 0.10 H new ATOM 0 HB VAL A 59 11.892 0.776 -0.591 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.860 1.862 -1.535 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.519 0.191 -1.027 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.995 1.555 -0.011 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.551 3.215 -0.334 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.691 2.932 1.198 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.420 2.534 1.061 1.00 0.16 H new ATOM 927 N ASP A 60 12.447 0.818 3.088 1.00 0.10 N ATOM 928 CA ASP A 60 13.731 0.800 3.852 1.00 0.12 C ATOM 929 C ASP A 60 13.735 -0.268 4.961 1.00 0.13 C ATOM 930 O ASP A 60 14.700 -0.990 5.108 1.00 0.15 O ATOM 931 CB ASP A 60 13.948 2.190 4.456 1.00 0.14 C ATOM 932 CG ASP A 60 14.502 3.139 3.386 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.382 2.819 2.217 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.068 4.151 3.760 1.00 1.07 O ATOM 0 H ASP A 60 11.713 1.400 3.492 1.00 0.10 H new ATOM 0 HA ASP A 60 14.541 0.544 3.169 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.007 2.578 4.848 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.641 2.128 5.295 1.00 0.14 H new ATOM 939 N ASP A 61 12.682 -0.396 5.734 1.00 0.13 N ATOM 940 CA ASP A 61 12.680 -1.440 6.818 1.00 0.15 C ATOM 941 C ASP A 61 12.008 -2.703 6.287 1.00 0.14 C ATOM 942 O ASP A 61 12.101 -3.767 6.868 1.00 0.19 O ATOM 943 CB ASP A 61 11.917 -0.933 8.046 1.00 0.16 C ATOM 944 CG ASP A 61 12.643 0.281 8.627 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.861 0.317 8.541 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.970 1.155 9.149 1.00 1.01 O ATOM 0 H ASP A 61 11.834 0.167 5.666 1.00 0.13 H new ATOM 0 HA ASP A 61 13.708 -1.656 7.110 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.898 -0.663 7.769 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.846 -1.721 8.795 1.00 0.16 H new ATOM 951 N ALA A 62 11.337 -2.585 5.172 1.00 0.11 N ATOM 952 CA ALA A 62 10.657 -3.758 4.551 1.00 0.12 C ATOM 953 C ALA A 62 11.176 -3.887 3.122 1.00 0.11 C ATOM 954 O ALA A 62 10.447 -4.193 2.198 1.00 0.12 O ATOM 955 CB ALA A 62 9.137 -3.549 4.555 1.00 0.14 C ATOM 0 H ALA A 62 11.230 -1.711 4.658 1.00 0.11 H new ATOM 0 HA ALA A 62 10.868 -4.668 5.113 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.650 -4.411 4.099 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.788 -3.436 5.581 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.892 -2.652 3.987 1.00 0.14 H new ATOM 961 N GLN A 63 12.438 -3.628 2.942 1.00 0.11 N ATOM 962 CA GLN A 63 13.037 -3.701 1.586 1.00 0.12 C ATOM 963 C GLN A 63 12.879 -5.118 1.034 1.00 0.12 C ATOM 964 O GLN A 63 12.932 -5.335 -0.156 1.00 0.14 O ATOM 965 CB GLN A 63 14.522 -3.332 1.672 1.00 0.13 C ATOM 966 CG GLN A 63 15.281 -4.416 2.441 1.00 0.15 C ATOM 967 CD GLN A 63 16.702 -3.934 2.738 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.913 -2.777 3.042 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.691 -4.782 2.661 1.00 1.43 N ATOM 0 H GLN A 63 13.086 -3.366 3.685 1.00 0.11 H new ATOM 0 HA GLN A 63 12.531 -3.003 0.919 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.938 -3.225 0.670 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.639 -2.370 2.171 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.762 -4.647 3.372 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.313 -5.336 1.857 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.511 -5.753 2.406 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.643 -4.474 2.856 1.00 1.43 H new ATOM 978 N ASP A 64 12.677 -6.087 1.884 1.00 0.13 N ATOM 979 CA ASP A 64 12.510 -7.478 1.388 1.00 0.13 C ATOM 980 C ASP A 64 11.262 -7.532 0.510 1.00 0.15 C ATOM 981 O ASP A 64 11.226 -8.214 -0.495 1.00 0.16 O ATOM 982 CB ASP A 64 12.361 -8.440 2.574 1.00 0.17 C ATOM 983 CG ASP A 64 11.270 -7.940 3.519 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.148 -7.812 3.073 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.575 -7.717 4.678 1.00 1.02 O ATOM 0 H ASP A 64 12.621 -5.975 2.896 1.00 0.13 H new ATOM 0 HA ASP A 64 13.384 -7.776 0.809 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.112 -9.438 2.214 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.308 -8.521 3.108 1.00 0.17 H new ATOM 990 N VAL A 65 10.241 -6.803 0.872 1.00 0.17 N ATOM 991 CA VAL A 65 9.003 -6.806 0.048 1.00 0.22 C ATOM 992 C VAL A 65 9.255 -6.015 -1.238 1.00 0.22 C ATOM 993 O VAL A 65 8.834 -6.397 -2.311 1.00 0.26 O ATOM 994 CB VAL A 65 7.858 -6.140 0.829 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.542 -6.326 0.067 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.743 -6.770 2.227 1.00 0.32 C ATOM 0 H VAL A 65 10.212 -6.208 1.700 1.00 0.17 H new ATOM 0 HA VAL A 65 8.730 -7.834 -0.192 1.00 0.22 H new ATOM 0 HB VAL A 65 8.067 -5.075 0.935 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.731 -5.854 0.621 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.624 -5.867 -0.918 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.334 -7.390 -0.045 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.930 -6.294 2.775 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.539 -7.836 2.130 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.678 -6.627 2.768 1.00 0.32 H new ATOM 1006 N ALA A 66 9.925 -4.898 -1.128 1.00 0.19 N ATOM 1007 CA ALA A 66 10.194 -4.056 -2.329 1.00 0.22 C ATOM 1008 C ALA A 66 11.176 -4.748 -3.278 1.00 0.23 C ATOM 1009 O ALA A 66 11.025 -4.694 -4.482 1.00 0.26 O ATOM 1010 CB ALA A 66 10.796 -2.726 -1.890 1.00 0.25 C ATOM 0 H ALA A 66 10.299 -4.532 -0.253 1.00 0.19 H new ATOM 0 HA ALA A 66 9.250 -3.897 -2.851 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.993 -2.109 -2.767 1.00 0.25 H new ATOM 0 HB2 ALA A 66 10.097 -2.209 -1.233 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.729 -2.907 -1.356 1.00 0.25 H new ATOM 1016 N SER A 67 12.198 -5.367 -2.757 1.00 0.21 N ATOM 1017 CA SER A 67 13.191 -6.022 -3.656 1.00 0.23 C ATOM 1018 C SER A 67 12.495 -7.090 -4.500 1.00 0.23 C ATOM 1019 O SER A 67 12.791 -7.262 -5.666 1.00 0.24 O ATOM 1020 CB SER A 67 14.294 -6.669 -2.818 1.00 0.23 C ATOM 1021 OG SER A 67 13.733 -7.697 -2.015 1.00 0.22 O ATOM 0 H SER A 67 12.389 -5.448 -1.758 1.00 0.21 H new ATOM 0 HA SER A 67 13.630 -5.272 -4.314 1.00 0.23 H new ATOM 0 HB2 SER A 67 15.066 -7.080 -3.468 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.774 -5.920 -2.187 1.00 0.23 H new ATOM 0 HG SER A 67 12.858 -7.410 -1.680 1.00 0.22 H new ATOM 1027 N GLU A 68 11.564 -7.797 -3.928 1.00 0.23 N ATOM 1028 CA GLU A 68 10.836 -8.841 -4.701 1.00 0.25 C ATOM 1029 C GLU A 68 9.991 -8.173 -5.795 1.00 0.22 C ATOM 1030 O GLU A 68 9.849 -8.688 -6.888 1.00 0.24 O ATOM 1031 CB GLU A 68 9.939 -9.639 -3.745 1.00 0.29 C ATOM 1032 CG GLU A 68 9.310 -10.829 -4.480 1.00 0.32 C ATOM 1033 CD GLU A 68 8.181 -10.343 -5.390 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.464 -9.443 -4.982 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.049 -10.882 -6.477 1.00 2.06 O ATOM 0 H GLU A 68 11.274 -7.697 -2.955 1.00 0.23 H new ATOM 0 HA GLU A 68 11.547 -9.519 -5.174 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.524 -9.994 -2.897 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.157 -8.994 -3.345 1.00 0.29 H new ATOM 0 HG2 GLU A 68 10.068 -11.344 -5.070 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.923 -11.549 -3.759 1.00 0.32 H new ATOM 1042 N ALA A 69 9.406 -7.041 -5.499 1.00 0.20 N ATOM 1043 CA ALA A 69 8.548 -6.345 -6.507 1.00 0.20 C ATOM 1044 C ALA A 69 9.388 -5.418 -7.396 1.00 0.19 C ATOM 1045 O ALA A 69 8.879 -4.816 -8.321 1.00 0.20 O ATOM 1046 CB ALA A 69 7.473 -5.533 -5.778 1.00 0.23 C ATOM 0 H ALA A 69 9.485 -6.566 -4.600 1.00 0.20 H new ATOM 0 HA ALA A 69 8.079 -7.093 -7.146 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.844 -5.023 -6.508 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.859 -6.201 -5.174 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.950 -4.796 -5.132 1.00 0.23 H new ATOM 1052 N GLU A 70 10.665 -5.294 -7.132 1.00 0.18 N ATOM 1053 CA GLU A 70 11.524 -4.405 -7.979 1.00 0.18 C ATOM 1054 C GLU A 70 10.933 -3.000 -8.051 1.00 0.17 C ATOM 1055 O GLU A 70 10.780 -2.446 -9.121 1.00 0.18 O ATOM 1056 CB GLU A 70 11.637 -4.955 -9.405 1.00 0.22 C ATOM 1057 CG GLU A 70 12.455 -6.245 -9.410 1.00 0.24 C ATOM 1058 CD GLU A 70 11.629 -7.382 -8.807 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.415 -7.318 -8.898 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.225 -8.297 -8.263 1.00 2.02 O ATOM 0 H GLU A 70 11.150 -5.767 -6.370 1.00 0.18 H new ATOM 0 HA GLU A 70 12.512 -4.370 -7.520 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.643 -5.145 -9.809 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.108 -4.215 -10.052 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.749 -6.497 -10.429 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.373 -6.107 -8.839 1.00 0.24 H new ATOM 1067 N VAL A 71 10.594 -2.410 -6.943 1.00 0.15 N ATOM 1068 CA VAL A 71 10.001 -1.046 -7.008 1.00 0.14 C ATOM 1069 C VAL A 71 11.048 -0.073 -7.556 1.00 0.14 C ATOM 1070 O VAL A 71 12.186 -0.062 -7.127 1.00 0.16 O ATOM 1071 CB VAL A 71 9.579 -0.606 -5.608 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.838 0.727 -5.706 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.649 -1.664 -5.004 1.00 0.15 C ATOM 0 H VAL A 71 10.699 -2.804 -6.008 1.00 0.15 H new ATOM 0 HA VAL A 71 9.128 -1.054 -7.661 1.00 0.14 H new ATOM 0 HB VAL A 71 10.459 -0.491 -4.975 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.533 1.048 -4.710 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.496 1.478 -6.144 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.955 0.607 -6.334 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.345 -1.353 -4.004 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.766 -1.774 -5.633 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.173 -2.618 -4.944 1.00 0.15 H new ATOM 1083 N LYS A 72 10.670 0.731 -8.522 1.00 0.15 N ATOM 1084 CA LYS A 72 11.631 1.698 -9.127 1.00 0.16 C ATOM 1085 C LYS A 72 11.385 3.114 -8.589 1.00 0.15 C ATOM 1086 O LYS A 72 12.179 4.009 -8.807 1.00 0.16 O ATOM 1087 CB LYS A 72 11.459 1.691 -10.650 1.00 0.19 C ATOM 1088 CG LYS A 72 11.730 0.283 -11.215 1.00 0.23 C ATOM 1089 CD LYS A 72 13.240 0.032 -11.321 1.00 0.74 C ATOM 1090 CE LYS A 72 13.474 -1.288 -12.057 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.937 -1.538 -12.194 1.00 1.60 N ATOM 0 H LYS A 72 9.730 0.756 -8.917 1.00 0.15 H new ATOM 0 HA LYS A 72 12.646 1.399 -8.864 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.448 2.006 -10.910 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.143 2.409 -11.103 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.274 -0.469 -10.570 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.268 0.183 -12.197 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.721 0.851 -11.855 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.686 -0.007 -10.327 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.005 -2.107 -11.511 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.008 -1.253 -13.042 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.090 -2.436 -12.695 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.373 -0.762 -12.733 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.370 -1.590 -11.250 1.00 1.60 H new ATOM 1105 N ALA A 73 10.301 3.340 -7.890 1.00 0.13 N ATOM 1106 CA ALA A 73 10.053 4.715 -7.359 1.00 0.13 C ATOM 1107 C ALA A 73 8.995 4.696 -6.243 1.00 0.11 C ATOM 1108 O ALA A 73 8.136 3.845 -6.202 1.00 0.12 O ATOM 1109 CB ALA A 73 9.578 5.613 -8.502 1.00 0.14 C ATOM 0 H ALA A 73 9.588 2.645 -7.667 1.00 0.13 H new ATOM 0 HA ALA A 73 10.982 5.100 -6.938 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.395 6.618 -8.123 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.344 5.651 -9.277 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.656 5.210 -8.922 1.00 0.14 H new ATOM 1115 N THR A 74 9.044 5.665 -5.360 1.00 0.11 N ATOM 1116 CA THR A 74 8.041 5.770 -4.247 1.00 0.11 C ATOM 1117 C THR A 74 7.454 7.184 -4.285 1.00 0.12 C ATOM 1118 O THR A 74 8.119 8.093 -4.728 1.00 0.15 O ATOM 1119 CB THR A 74 8.748 5.555 -2.895 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.603 6.649 -2.632 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.548 4.264 -2.922 1.00 0.14 C ATOM 0 H THR A 74 9.749 6.402 -5.362 1.00 0.11 H new ATOM 0 HA THR A 74 7.259 5.019 -4.364 1.00 0.11 H new ATOM 0 HB THR A 74 7.999 5.484 -2.106 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.052 6.514 -1.771 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.043 4.123 -1.961 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.879 3.425 -3.112 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.297 4.317 -3.712 1.00 0.14 H new ATOM 1129 N PRO A 75 6.250 7.406 -3.803 1.00 0.13 N ATOM 1130 CA PRO A 75 5.361 6.342 -3.238 1.00 0.10 C ATOM 1131 C PRO A 75 4.708 5.468 -4.320 1.00 0.09 C ATOM 1132 O PRO A 75 4.291 5.955 -5.351 1.00 0.10 O ATOM 1133 CB PRO A 75 4.310 7.185 -2.489 1.00 0.12 C ATOM 1134 CG PRO A 75 4.351 8.608 -3.074 1.00 0.15 C ATOM 1135 CD PRO A 75 5.697 8.788 -3.793 1.00 0.16 C ATOM 0 HA PRO A 75 5.896 5.624 -2.617 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.317 6.751 -2.607 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.525 7.204 -1.421 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.525 8.758 -3.769 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.240 9.349 -2.282 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.568 9.180 -4.802 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.350 9.482 -3.263 1.00 0.16 H new ATOM 1143 N THR A 76 4.590 4.185 -4.066 1.00 0.09 N ATOM 1144 CA THR A 76 3.935 3.264 -5.054 1.00 0.09 C ATOM 1145 C THR A 76 2.833 2.481 -4.356 1.00 0.10 C ATOM 1146 O THR A 76 3.018 1.935 -3.285 1.00 0.12 O ATOM 1147 CB THR A 76 4.951 2.276 -5.633 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.987 2.994 -6.277 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.258 1.360 -6.646 1.00 0.13 C ATOM 0 H THR A 76 4.920 3.733 -3.213 1.00 0.09 H new ATOM 0 HA THR A 76 3.523 3.864 -5.865 1.00 0.09 H new ATOM 0 HB THR A 76 5.370 1.672 -4.828 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.735 3.117 -5.656 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.983 0.658 -7.057 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.459 0.808 -6.151 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.838 1.961 -7.452 1.00 0.13 H new ATOM 1157 N PHE A 77 1.682 2.430 -4.960 1.00 0.10 N ATOM 1158 CA PHE A 77 0.533 1.686 -4.364 1.00 0.10 C ATOM 1159 C PHE A 77 0.281 0.430 -5.189 1.00 0.10 C ATOM 1160 O PHE A 77 0.167 0.488 -6.398 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.710 2.570 -4.409 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.448 3.821 -3.615 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.719 3.849 -2.242 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.076 4.951 -4.252 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.467 5.011 -1.503 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.328 6.115 -3.514 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.058 6.145 -2.139 1.00 0.19 C ATOM 0 H PHE A 77 1.482 2.878 -5.854 1.00 0.10 H new ATOM 0 HA PHE A 77 0.757 1.416 -3.332 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.955 2.823 -5.440 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.567 2.036 -3.999 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.122 2.975 -1.753 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.286 4.926 -5.311 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.677 5.034 -0.444 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.730 6.989 -4.005 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.254 7.041 -1.569 1.00 0.19 H new ATOM 1177 N GLN A 78 0.174 -0.706 -4.546 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.081 -1.976 -5.287 1.00 0.09 C ATOM 1179 C GLN A 78 -1.355 -2.597 -4.757 1.00 0.08 C ATOM 1180 O GLN A 78 -1.627 -2.576 -3.572 1.00 0.09 O ATOM 1181 CB GLN A 78 1.088 -2.941 -5.081 1.00 0.09 C ATOM 1182 CG GLN A 78 2.322 -2.401 -5.805 1.00 0.12 C ATOM 1183 CD GLN A 78 3.416 -3.469 -5.825 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.132 -4.647 -5.734 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.665 -3.108 -5.947 1.00 0.29 N ATOM 0 H GLN A 78 0.253 -0.807 -3.534 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.182 -1.770 -6.352 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.297 -3.055 -4.017 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.831 -3.929 -5.463 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.061 -2.114 -6.824 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.686 -1.504 -5.305 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.905 -2.120 -6.024 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.401 -3.814 -5.966 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.148 -3.143 -5.632 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.436 -3.767 -5.207 1.00 0.07 C ATOM 1196 C PHE A 79 -3.343 -5.279 -5.305 1.00 0.07 C ATOM 1197 O PHE A 79 -2.866 -5.822 -6.282 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.547 -3.250 -6.112 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.691 -1.775 -5.856 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.827 -0.877 -6.486 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.663 -1.309 -4.966 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.936 0.491 -6.231 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.769 0.061 -4.705 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.907 0.962 -5.339 1.00 0.12 C ATOM 0 H PHE A 79 -1.960 -3.186 -6.634 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.650 -3.505 -4.171 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.306 -3.435 -7.159 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.483 -3.768 -5.904 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.075 -1.241 -7.170 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.331 -2.005 -4.481 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.271 1.186 -6.722 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.516 0.423 -4.014 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.990 2.020 -5.141 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.810 -5.958 -4.291 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.779 -7.447 -4.278 1.00 0.08 C ATOM 1216 C PHE A 80 -5.163 -7.983 -3.934 1.00 0.09 C ATOM 1217 O PHE A 80 -5.887 -7.403 -3.151 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.778 -7.937 -3.225 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.361 -7.705 -3.693 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.714 -6.483 -3.440 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.680 -8.731 -4.361 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.609 -6.296 -3.861 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.643 -8.540 -4.776 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.287 -7.323 -4.527 1.00 0.15 C ATOM 0 H PHE A 80 -4.218 -5.535 -3.458 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.478 -7.805 -5.263 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.946 -7.414 -2.284 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.934 -8.998 -3.032 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.235 -5.691 -2.923 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.176 -9.670 -4.556 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.107 -5.357 -3.671 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.167 -9.333 -5.289 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.307 -7.176 -4.849 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.529 -9.104 -4.497 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.860 -9.693 -4.187 1.00 0.12 C ATOM 1236 C LYS A 81 -6.700 -11.213 -4.208 1.00 0.11 C ATOM 1237 O LYS A 81 -6.063 -11.762 -5.081 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.863 -9.249 -5.257 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.282 -9.598 -4.804 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.266 -9.470 -5.974 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.506 -7.992 -6.294 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.587 -7.880 -7.315 1.00 1.68 N ATOM 0 H LYS A 81 -4.962 -9.636 -5.158 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.225 -9.366 -3.213 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.778 -8.176 -5.427 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.641 -9.740 -6.204 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.305 -10.615 -4.411 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.584 -8.936 -3.993 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.870 -9.981 -6.851 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.209 -9.954 -5.722 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.787 -7.453 -5.389 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.589 -7.535 -6.666 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -11.754 -6.877 -7.536 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.301 -8.382 -8.180 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.461 -8.302 -6.943 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.241 -11.899 -3.242 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.079 -13.384 -3.205 1.00 0.13 C ATOM 1258 C LYS A 82 -5.594 -13.729 -3.373 1.00 0.13 C ATOM 1259 O LYS A 82 -5.244 -14.740 -3.948 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.876 -14.041 -4.341 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.382 -13.849 -4.120 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.158 -14.893 -4.932 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.646 -14.536 -4.942 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.393 -15.537 -5.753 1.00 1.22 N ATOM 0 H LYS A 82 -7.787 -11.501 -2.478 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.451 -13.756 -2.250 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.584 -13.606 -5.297 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.642 -15.104 -4.390 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.620 -13.947 -3.061 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.679 -12.845 -4.422 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.776 -14.931 -5.952 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.015 -15.884 -4.501 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.033 -14.517 -3.923 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.788 -13.538 -5.356 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.404 -15.294 -5.759 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.030 -15.535 -6.728 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.267 -16.483 -5.339 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.716 -12.902 -2.871 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.261 -13.192 -3.001 1.00 0.16 C ATOM 1280 C GLY A 83 -2.824 -12.981 -4.451 1.00 0.16 C ATOM 1281 O GLY A 83 -1.862 -13.571 -4.902 1.00 0.23 O ATOM 0 H GLY A 83 -4.945 -12.039 -2.377 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.689 -12.541 -2.340 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.055 -14.217 -2.694 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.524 -12.146 -5.187 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.152 -11.892 -6.616 1.00 0.15 C ATOM 1287 C GLN A 84 -3.049 -10.397 -6.896 1.00 0.12 C ATOM 1288 O GLN A 84 -3.923 -9.632 -6.562 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.212 -12.500 -7.544 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.130 -14.025 -7.492 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.852 -14.484 -8.198 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.526 -15.655 -8.193 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.106 -13.600 -8.803 1.00 2.07 N ATOM 0 H GLN A 84 -4.339 -11.629 -4.857 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.182 -12.354 -6.800 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.206 -12.169 -7.242 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.057 -12.153 -8.565 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.131 -14.366 -6.457 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.004 -14.465 -7.973 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.381 -12.618 -8.807 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.249 -13.892 -9.272 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.994 -9.988 -7.543 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.820 -8.545 -7.876 1.00 0.12 C ATOM 1304 C LYS A 85 -2.676 -8.207 -9.097 1.00 0.14 C ATOM 1305 O LYS A 85 -2.538 -8.810 -10.143 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.348 -8.305 -8.206 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.100 -6.822 -8.463 1.00 0.20 C ATOM 1308 CD LYS A 85 1.355 -6.634 -8.885 1.00 0.28 C ATOM 1309 CE LYS A 85 1.646 -5.146 -9.055 1.00 1.28 C ATOM 1310 NZ LYS A 85 3.042 -4.973 -9.539 1.00 1.82 N ATOM 0 H LYS A 85 -1.238 -10.596 -7.858 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.125 -7.920 -7.037 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.277 -8.648 -7.382 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.065 -8.886 -9.084 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.769 -6.457 -9.242 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.310 -6.243 -7.564 1.00 0.20 H new ATOM 0 HD2 LYS A 85 2.021 -7.063 -8.136 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.545 -7.162 -9.819 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.945 -4.705 -9.764 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.510 -4.626 -8.107 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.246 -3.960 -9.657 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.702 -5.381 -8.847 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.155 -5.457 -10.452 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.564 -7.247 -8.968 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.441 -6.860 -10.116 1.00 0.18 C ATOM 1326 C VAL A 86 -4.283 -5.368 -10.431 1.00 0.17 C ATOM 1327 O VAL A 86 -5.017 -4.828 -11.233 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.903 -7.145 -9.757 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.119 -8.653 -9.603 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.249 -6.446 -8.439 1.00 0.26 C ATOM 0 H VAL A 86 -3.718 -6.714 -8.112 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.150 -7.441 -10.991 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.546 -6.770 -10.553 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.161 -8.847 -9.348 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.876 -9.153 -10.541 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.474 -9.034 -8.811 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.289 -6.648 -8.182 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.600 -6.821 -7.647 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.104 -5.371 -8.548 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.342 -4.686 -9.826 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.198 -3.234 -10.150 1.00 0.17 C ATOM 1342 C GLY A 87 -2.016 -2.599 -9.408 1.00 0.12 C ATOM 1343 O GLY A 87 -1.613 -3.041 -8.351 1.00 0.17 O ATOM 0 H GLY A 87 -2.685 -5.058 -9.141 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.060 -3.113 -11.224 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.117 -2.710 -9.886 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.474 -1.550 -9.974 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.324 -0.838 -9.345 1.00 0.13 C ATOM 1349 C GLU A 88 -0.129 0.512 -10.021 1.00 0.11 C ATOM 1350 O GLU A 88 -0.361 0.664 -11.203 1.00 0.14 O ATOM 1351 CB GLU A 88 0.956 -1.683 -9.494 1.00 0.21 C ATOM 1352 CG GLU A 88 2.201 -0.873 -9.082 1.00 0.58 C ATOM 1353 CD GLU A 88 2.651 0.045 -10.229 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.326 -0.249 -11.367 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.317 1.027 -9.944 1.00 1.87 O ATOM 0 H GLU A 88 -1.786 -1.152 -10.860 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.531 -0.685 -8.286 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.879 -2.578 -8.877 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.059 -2.015 -10.527 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.977 -0.276 -8.198 1.00 0.58 H new ATOM 0 HG3 GLU A 88 3.010 -1.551 -8.813 1.00 0.58 H new ATOM 1362 N PHE A 89 0.346 1.483 -9.292 1.00 0.10 N ATOM 1363 CA PHE A 89 0.609 2.806 -9.923 1.00 0.09 C ATOM 1364 C PHE A 89 1.518 3.631 -9.010 1.00 0.10 C ATOM 1365 O PHE A 89 1.690 3.324 -7.846 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.695 3.568 -10.192 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.322 4.070 -8.910 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.824 5.235 -8.316 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.418 3.408 -8.339 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.417 5.744 -7.154 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.009 3.914 -7.169 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.509 5.084 -6.579 1.00 0.14 C ATOM 0 H PHE A 89 0.562 1.420 -8.297 1.00 0.10 H new ATOM 0 HA PHE A 89 1.100 2.639 -10.882 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.495 4.411 -10.854 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.398 2.916 -10.710 1.00 0.11 H new ATOM 0 HD1 PHE A 89 0.021 5.744 -8.756 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.807 2.511 -8.797 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.032 6.646 -6.702 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.849 3.402 -6.724 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.966 5.475 -5.682 1.00 0.14 H new ATOM 1382 N SER A 90 2.111 4.669 -9.542 1.00 0.10 N ATOM 1383 CA SER A 90 3.033 5.538 -8.743 1.00 0.10 C ATOM 1384 C SER A 90 2.607 6.992 -8.850 1.00 0.09 C ATOM 1385 O SER A 90 1.900 7.382 -9.760 1.00 0.11 O ATOM 1386 CB SER A 90 4.454 5.420 -9.281 1.00 0.11 C ATOM 1387 OG SER A 90 4.471 5.836 -10.640 1.00 0.12 O ATOM 0 H SER A 90 1.994 4.957 -10.513 1.00 0.10 H new ATOM 0 HA SER A 90 2.993 5.212 -7.704 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.132 6.036 -8.690 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.804 4.391 -9.198 1.00 0.11 H new ATOM 0 HG SER A 90 5.383 5.764 -10.993 1.00 0.12 H new ATOM 1393 N GLY A 91 3.046 7.800 -7.924 1.00 0.09 N ATOM 1394 CA GLY A 91 2.702 9.251 -7.947 1.00 0.09 C ATOM 1395 C GLY A 91 2.022 9.635 -6.641 1.00 0.10 C ATOM 1396 O GLY A 91 1.235 8.889 -6.095 1.00 0.12 O ATOM 0 H GLY A 91 3.636 7.513 -7.143 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.604 9.847 -8.088 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.043 9.466 -8.789 1.00 0.09 H new ATOM 1400 N ALA A 92 2.315 10.796 -6.134 1.00 0.11 N ATOM 1401 CA ALA A 92 1.679 11.217 -4.864 1.00 0.14 C ATOM 1402 C ALA A 92 0.240 11.670 -5.142 1.00 0.13 C ATOM 1403 O ALA A 92 -0.101 12.821 -4.958 1.00 0.17 O ATOM 1404 CB ALA A 92 2.482 12.382 -4.285 1.00 0.18 C ATOM 0 H ALA A 92 2.965 11.468 -6.543 1.00 0.11 H new ATOM 0 HA ALA A 92 1.661 10.388 -4.157 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.029 12.706 -3.348 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.507 12.061 -4.100 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.484 13.210 -4.993 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.614 10.760 -5.568 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.045 11.115 -5.843 1.00 0.14 C ATOM 1412 C ASN A 93 -2.937 10.295 -4.914 1.00 0.13 C ATOM 1413 O ASN A 93 -3.291 9.172 -5.208 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.387 10.782 -7.297 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.755 11.371 -7.641 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.264 11.168 -8.725 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.384 12.087 -6.751 1.00 0.75 N ATOM 0 H ASN A 93 -0.376 9.783 -5.737 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.202 12.180 -5.673 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.626 11.187 -7.964 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.396 9.702 -7.442 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.302 12.476 -6.966 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.958 12.258 -5.840 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.296 10.844 -3.790 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.151 10.092 -2.830 1.00 0.15 C ATOM 1426 C LYS A 94 -5.565 9.878 -3.385 1.00 0.15 C ATOM 1427 O LYS A 94 -6.188 8.866 -3.129 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.230 10.886 -1.527 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.650 12.354 -1.809 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.481 13.309 -1.535 1.00 0.24 C ATOM 1431 CE LYS A 94 -3.973 14.744 -1.703 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.874 15.698 -1.379 1.00 1.06 N ATOM 0 H LYS A 94 -3.034 11.784 -3.493 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.708 9.111 -2.660 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.948 10.419 -0.853 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.263 10.868 -1.024 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -4.973 12.453 -2.845 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.501 12.622 -1.182 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.097 13.157 -0.526 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.660 13.108 -2.223 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.315 14.903 -2.726 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.827 14.924 -1.050 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.215 16.673 -1.495 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.567 15.553 -0.396 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.071 15.533 -2.020 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.081 10.806 -4.149 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.451 10.631 -4.703 1.00 0.15 C ATOM 1448 C GLU A 95 -7.466 9.425 -5.643 1.00 0.15 C ATOM 1449 O GLU A 95 -8.468 8.757 -5.801 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.849 11.893 -5.476 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.888 13.086 -4.517 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.088 12.952 -3.575 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.037 12.282 -3.948 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -9.039 13.527 -2.500 1.00 1.61 O ATOM 0 H GLU A 95 -5.613 11.673 -4.411 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.159 10.465 -3.891 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.136 12.081 -6.279 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.825 11.755 -5.942 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.964 13.132 -3.940 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.958 14.016 -5.081 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.359 9.150 -6.268 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.284 8.000 -7.207 1.00 0.15 C ATOM 1463 C LYS A 96 -6.577 6.712 -6.447 1.00 0.14 C ATOM 1464 O LYS A 96 -7.180 5.794 -6.965 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.877 7.951 -7.785 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.808 6.967 -8.956 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.515 7.219 -9.736 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.461 6.298 -10.956 1.00 0.82 C ATOM 1469 NZ LYS A 96 -3.533 4.877 -10.513 1.00 1.45 N ATOM 0 H LYS A 96 -5.493 9.679 -6.167 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.013 8.111 -8.010 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.581 8.945 -8.121 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.170 7.653 -7.011 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.834 5.941 -8.589 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.673 7.094 -9.607 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.467 8.261 -10.053 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.652 7.041 -9.095 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -4.288 6.522 -11.630 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -2.540 6.470 -11.513 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -3.278 4.253 -11.305 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.871 4.725 -9.725 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -4.500 4.660 -10.199 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.163 6.639 -5.212 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.432 5.415 -4.418 1.00 0.13 C ATOM 1485 C LEU A 97 -7.937 5.212 -4.365 1.00 0.14 C ATOM 1486 O LEU A 97 -8.441 4.109 -4.421 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.943 5.610 -2.977 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.409 5.583 -2.904 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.955 6.247 -1.593 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.887 4.121 -2.956 1.00 0.19 C ATOM 0 H LEU A 97 -5.652 7.373 -4.722 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.923 4.566 -4.874 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.312 6.560 -2.590 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.354 4.826 -2.341 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.003 6.127 -3.757 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.867 6.231 -1.535 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.305 7.279 -1.568 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.372 5.702 -0.746 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.798 4.121 -2.903 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.291 3.560 -2.113 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.205 3.654 -3.888 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.653 6.285 -4.235 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.137 6.181 -4.137 1.00 0.15 C ATOM 1504 C GLU A 98 -10.729 5.565 -5.410 1.00 0.16 C ATOM 1505 O GLU A 98 -11.627 4.748 -5.348 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.734 7.580 -3.919 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.246 7.464 -3.697 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.853 8.859 -3.533 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.104 9.820 -3.572 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -14.059 8.940 -3.367 1.00 2.10 O ATOM 0 H GLU A 98 -8.280 7.233 -4.192 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.384 5.535 -3.295 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.265 8.057 -3.058 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.530 8.212 -4.783 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.709 6.953 -4.541 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.448 6.863 -2.811 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.260 5.959 -6.557 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.834 5.402 -7.821 1.00 0.17 C ATOM 1519 C ALA A 99 -10.486 3.920 -7.997 1.00 0.16 C ATOM 1520 O ALA A 99 -11.319 3.127 -8.387 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.313 6.196 -9.020 1.00 0.19 C ATOM 0 H ALA A 99 -9.509 6.638 -6.680 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.919 5.488 -7.760 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.734 5.786 -9.938 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.607 7.241 -8.920 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.226 6.127 -9.057 1.00 0.19 H new ATOM 1527 N THR A 100 -9.268 3.534 -7.743 1.00 0.16 N ATOM 1528 CA THR A 100 -8.901 2.100 -7.935 1.00 0.16 C ATOM 1529 C THR A 100 -9.666 1.223 -6.936 1.00 0.15 C ATOM 1530 O THR A 100 -10.130 0.152 -7.267 1.00 0.15 O ATOM 1531 CB THR A 100 -7.394 1.915 -7.755 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.707 2.865 -8.558 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.002 0.501 -8.195 1.00 0.20 C ATOM 0 H THR A 100 -8.516 4.140 -7.414 1.00 0.16 H new ATOM 0 HA THR A 100 -9.173 1.798 -8.947 1.00 0.16 H new ATOM 0 HB THR A 100 -7.128 2.059 -6.708 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.740 2.751 -8.444 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.928 0.365 -8.068 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.535 -0.230 -7.587 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.264 0.360 -9.244 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.817 1.672 -5.721 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.571 0.862 -4.715 1.00 0.13 C ATOM 1543 C ILE A 101 -11.998 0.670 -5.212 1.00 0.14 C ATOM 1544 O ILE A 101 -12.511 -0.427 -5.250 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.591 1.616 -3.380 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.179 1.608 -2.769 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.579 0.949 -2.414 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.042 2.746 -1.753 1.00 0.16 C ATOM 0 H ILE A 101 -9.453 2.561 -5.379 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.094 -0.109 -4.578 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.908 2.645 -3.552 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.989 0.651 -2.283 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.433 1.720 -3.556 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.586 1.492 -1.469 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.579 0.964 -2.848 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.275 -0.083 -2.238 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.040 2.733 -1.325 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.212 3.701 -2.251 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.777 2.615 -0.959 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.627 1.734 -5.615 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.016 1.632 -6.133 1.00 0.20 C ATOM 1562 C ASN A 102 -14.002 0.721 -7.349 1.00 0.19 C ATOM 1563 O ASN A 102 -14.927 -0.022 -7.608 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.494 3.022 -6.562 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.942 2.943 -7.048 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.231 2.296 -8.038 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.867 3.592 -6.402 1.00 0.55 N ATOM 0 H ASN A 102 -12.237 2.676 -5.608 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.680 1.236 -5.364 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.419 3.717 -5.726 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.855 3.408 -7.356 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.834 3.558 -6.725 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.625 4.134 -5.573 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.951 0.798 -8.104 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.836 -0.023 -9.329 1.00 0.18 C ATOM 1576 C GLU A 103 -12.714 -1.506 -8.961 1.00 0.16 C ATOM 1577 O GLU A 103 -13.272 -2.362 -9.619 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.576 0.417 -10.075 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.546 -0.223 -11.462 1.00 0.21 C ATOM 1580 CD GLU A 103 -10.179 0.017 -12.103 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -9.885 1.160 -12.414 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -9.448 -0.945 -12.272 1.00 2.04 O ATOM 0 H GLU A 103 -12.153 1.406 -7.920 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.721 0.111 -9.951 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.556 1.503 -10.165 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.689 0.128 -9.512 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.741 -1.293 -11.385 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.332 0.200 -12.087 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.972 -1.821 -7.927 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.791 -3.256 -7.530 1.00 0.14 C ATOM 1591 C LEU A 104 -12.723 -3.637 -6.366 1.00 0.13 C ATOM 1592 O LEU A 104 -12.727 -4.770 -5.922 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.336 -3.470 -7.100 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.387 -3.188 -8.272 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.942 -3.332 -7.788 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.653 -4.173 -9.428 1.00 0.25 C ATOM 0 H LEU A 104 -11.483 -1.146 -7.339 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.038 -3.886 -8.384 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.097 -2.813 -6.263 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.200 -4.494 -6.751 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.556 -2.175 -8.637 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.260 -3.133 -8.615 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.755 -2.620 -6.984 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.781 -4.345 -7.420 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.972 -3.960 -10.252 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.494 -5.194 -9.080 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.682 -4.063 -9.770 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.505 -2.721 -5.855 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.410 -3.080 -4.716 1.00 0.15 C ATOM 1610 C VAL A 105 -15.447 -4.108 -5.192 1.00 0.16 C ATOM 1611 O VAL A 105 -15.921 -4.869 -4.364 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.132 -1.822 -4.193 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.273 -1.425 -5.145 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.708 -2.109 -2.801 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.750 -4.110 -6.374 1.00 1.08 O ATOM 0 H VAL A 105 -13.558 -1.752 -6.170 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.814 -3.506 -3.909 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.417 -1.001 -4.137 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.773 -0.535 -4.762 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.865 -1.215 -6.134 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.990 -2.243 -5.214 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.219 -1.221 -2.429 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.416 -2.936 -2.863 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.899 -2.374 -2.120 1.00 0.19 H new ATOM 1683 N LYS B 63 7.079 15.081 -5.902 1.00 0.19 N ATOM 1684 CA LYS B 63 5.926 14.137 -5.903 1.00 0.14 C ATOM 1685 C LYS B 63 6.444 12.701 -5.850 1.00 0.12 C ATOM 1686 O LYS B 63 5.713 11.787 -5.510 1.00 0.12 O ATOM 1687 CB LYS B 63 5.098 14.333 -7.177 1.00 0.17 C ATOM 1688 CG LYS B 63 4.558 15.770 -7.260 1.00 0.20 C ATOM 1689 CD LYS B 63 3.735 16.115 -6.006 1.00 0.40 C ATOM 1690 CE LYS B 63 2.757 17.253 -6.314 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.519 18.491 -6.640 1.00 1.31 N ATOM 0 HA LYS B 63 5.300 14.332 -5.032 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.712 14.119 -8.052 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.268 13.626 -7.189 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.387 16.470 -7.361 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.938 15.880 -8.150 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.187 15.236 -5.668 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.401 16.407 -5.194 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.115 16.978 -7.151 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.106 17.429 -5.457 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 2.864 19.297 -6.699 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 4.223 18.671 -5.896 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 4.003 18.371 -7.553 1.00 1.31 H new ATOM 1705 N ILE B 64 7.690 12.494 -6.213 1.00 0.11 N ATOM 1706 CA ILE B 64 8.290 11.113 -6.198 1.00 0.11 C ATOM 1707 C ILE B 64 9.629 11.137 -5.443 1.00 0.10 C ATOM 1708 O ILE B 64 10.422 12.043 -5.613 1.00 0.11 O ATOM 1709 CB ILE B 64 8.566 10.658 -7.641 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.250 10.479 -8.415 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.344 9.335 -7.641 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.330 9.464 -7.712 1.00 0.15 C ATOM 0 H ILE B 64 8.326 13.229 -6.523 1.00 0.11 H new ATOM 0 HA ILE B 64 7.593 10.432 -5.709 1.00 0.11 H new ATOM 0 HB ILE B 64 9.162 11.428 -8.131 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.741 11.439 -8.500 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.463 10.140 -9.429 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.533 9.024 -8.668 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.293 9.471 -7.123 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.759 8.569 -7.132 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.406 9.356 -8.280 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.833 8.499 -7.650 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.099 9.818 -6.707 1.00 0.15 H new ATOM 1724 N CYS B 65 9.911 10.128 -4.648 1.00 0.09 N ATOM 1725 CA CYS B 65 11.229 10.072 -3.940 1.00 0.10 C ATOM 1726 C CYS B 65 12.132 9.151 -4.771 1.00 0.10 C ATOM 1727 O CYS B 65 11.752 8.046 -5.107 1.00 0.11 O ATOM 1728 CB CYS B 65 11.086 9.505 -2.511 1.00 0.10 C ATOM 1729 SG CYS B 65 9.582 10.127 -1.712 1.00 0.19 S ATOM 0 H CYS B 65 9.286 9.344 -4.461 1.00 0.09 H new ATOM 0 HA CYS B 65 11.644 11.075 -3.844 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.058 8.416 -2.549 1.00 0.10 H new ATOM 0 HB3 CYS B 65 11.958 9.781 -1.918 1.00 0.10 H new ATOM 1734 N SER B 66 13.304 9.594 -5.134 1.00 0.12 N ATOM 1735 CA SER B 66 14.192 8.731 -5.972 1.00 0.14 C ATOM 1736 C SER B 66 14.927 7.701 -5.103 1.00 0.14 C ATOM 1737 O SER B 66 15.304 7.967 -3.978 1.00 0.15 O ATOM 1738 CB SER B 66 15.221 9.608 -6.683 1.00 0.18 C ATOM 1739 OG SER B 66 14.546 10.547 -7.508 1.00 0.20 O ATOM 0 H SER B 66 13.685 10.508 -4.891 1.00 0.12 H new ATOM 0 HA SER B 66 13.577 8.202 -6.700 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.840 10.128 -5.952 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.888 8.991 -7.285 1.00 0.18 H new ATOM 0 HG SER B 66 15.203 11.113 -7.965 1.00 0.20 H new ATOM 1745 N TRP B 67 15.147 6.525 -5.629 1.00 0.15 N ATOM 1746 CA TRP B 67 15.864 5.475 -4.849 1.00 0.16 C ATOM 1747 C TRP B 67 17.358 5.787 -4.861 1.00 0.19 C ATOM 1748 O TRP B 67 18.137 5.185 -4.148 1.00 0.21 O ATOM 1749 CB TRP B 67 15.598 4.095 -5.466 1.00 0.16 C ATOM 1750 CG TRP B 67 14.170 3.738 -5.217 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.119 4.452 -5.667 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.610 2.618 -4.468 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.957 3.848 -5.246 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.206 2.720 -4.502 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.172 1.535 -3.770 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.393 1.793 -3.867 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.352 0.597 -3.133 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.963 0.730 -3.181 1.00 0.16 C ATOM 0 H TRP B 67 14.860 6.246 -6.567 1.00 0.15 H new ATOM 0 HA TRP B 67 15.506 5.465 -3.820 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.804 4.111 -6.536 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.259 3.348 -5.025 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.179 5.352 -6.261 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.022 4.196 -5.460 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.246 1.426 -3.725 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.319 1.898 -3.906 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.795 -0.233 -2.602 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.333 0.007 -2.685 1.00 0.16 H new ATOM 1769 N ASN B 68 17.765 6.731 -5.668 1.00 0.23 N ATOM 1770 CA ASN B 68 19.210 7.086 -5.721 1.00 0.27 C ATOM 1771 C ASN B 68 19.701 7.354 -4.304 1.00 0.26 C ATOM 1772 O ASN B 68 20.885 7.449 -4.054 1.00 0.30 O ATOM 1773 CB ASN B 68 19.402 8.354 -6.556 1.00 0.34 C ATOM 1774 CG ASN B 68 19.083 8.056 -8.020 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.242 8.907 -8.873 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.634 6.877 -8.351 1.00 0.40 N ATOM 0 H ASN B 68 17.161 7.269 -6.290 1.00 0.23 H new ATOM 0 HA ASN B 68 19.770 6.266 -6.171 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.752 9.147 -6.186 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.427 8.712 -6.462 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.416 6.669 -9.326 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.501 6.163 -7.635 1.00 0.40 H new