USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 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 Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 16 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= -1.38 (180deg=-1.61) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0198) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.413 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -140:sc= -1.16 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -176:sc= -3.68! (180deg=-3.93!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.43) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 160:sc= -0.101 (180deg=-0.571) USER MOD Single : A 69 SER OG : rot -105:sc= 1.3 USER MOD Single : A 71 THR OG1 : rot 70:sc= -0.578 USER MOD Single : A 80 MET CE :methyl 158:sc= -0.401 (180deg=-1.72) USER MOD Single : A 81 MET CE :methyl 141:sc= -2.64 (180deg=-4.75!) USER MOD Single : A 84 CYS SG : rot 57:sc= -0.163 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 7.989 -4.220 -6.083 1.00 20.23 N ATOM 62 CA TYR A 5 7.100 -4.229 -7.238 1.00 41.15 C ATOM 63 C TYR A 5 7.258 -2.951 -8.057 1.00 21.02 C ATOM 64 O TYR A 5 7.295 -2.987 -9.287 1.00 22.41 O ATOM 65 CB TYR A 5 5.646 -4.383 -6.789 1.00 23.41 C ATOM 66 CG TYR A 5 5.343 -5.730 -6.171 1.00 44.22 C ATOM 67 CD1 TYR A 5 5.848 -6.900 -6.726 1.00 55.21 C ATOM 68 CD2 TYR A 5 4.552 -5.832 -5.034 1.00 25.35 C ATOM 69 CE1 TYR A 5 5.573 -8.132 -6.166 1.00 31.33 C ATOM 70 CE2 TYR A 5 4.274 -7.060 -4.465 1.00 70.35 C ATOM 71 CZ TYR A 5 4.786 -8.207 -5.035 1.00 62.32 C ATOM 72 OH TYR A 5 4.510 -9.433 -4.473 1.00 52.42 O ATOM 0 HA TYR A 5 7.371 -5.078 -7.866 1.00 41.15 H new ATOM 0 HB2 TYR A 5 5.413 -3.600 -6.067 1.00 23.41 H new ATOM 0 HB3 TYR A 5 4.991 -4.231 -7.647 1.00 23.41 H new ATOM 0 HD1 TYR A 5 6.466 -6.845 -7.610 1.00 55.21 H new ATOM 0 HD2 TYR A 5 4.147 -4.936 -4.587 1.00 25.35 H new ATOM 0 HE1 TYR A 5 5.972 -9.032 -6.611 1.00 31.33 H new ATOM 0 HE2 TYR A 5 3.659 -7.121 -3.579 1.00 70.35 H new ATOM 0 HH TYR A 5 3.944 -9.310 -3.682 1.00 52.42 H new ATOM 82 N LYS A 6 7.351 -1.821 -7.365 1.00 4.25 N ATOM 83 CA LYS A 6 7.507 -0.530 -8.024 1.00 4.31 C ATOM 84 C LYS A 6 8.860 -0.436 -8.723 1.00 53.13 C ATOM 85 O LYS A 6 9.013 0.292 -9.703 1.00 51.43 O ATOM 86 CB LYS A 6 7.367 0.606 -7.007 1.00 62.43 C ATOM 87 CG LYS A 6 8.642 0.889 -6.232 1.00 22.41 C ATOM 88 CD LYS A 6 9.467 1.979 -6.894 1.00 64.15 C ATOM 89 CE LYS A 6 10.185 2.838 -5.865 1.00 25.12 C ATOM 90 NZ LYS A 6 11.467 2.221 -5.425 1.00 24.12 N ATOM 0 H LYS A 6 7.321 -1.773 -6.347 1.00 4.25 H new ATOM 0 HA LYS A 6 6.722 -0.436 -8.775 1.00 4.31 H new ATOM 0 HB2 LYS A 6 7.060 1.513 -7.528 1.00 62.43 H new ATOM 0 HB3 LYS A 6 6.572 0.357 -6.304 1.00 62.43 H new ATOM 0 HG2 LYS A 6 8.391 1.189 -5.214 1.00 22.41 H new ATOM 0 HG3 LYS A 6 9.234 -0.023 -6.159 1.00 22.41 H new ATOM 0 HD2 LYS A 6 10.197 1.527 -7.565 1.00 64.15 H new ATOM 0 HD3 LYS A 6 8.819 2.607 -7.505 1.00 64.15 H new ATOM 0 HE2 LYS A 6 10.382 3.823 -6.288 1.00 25.12 H new ATOM 0 HE3 LYS A 6 9.538 2.986 -5.001 1.00 25.12 H new ATOM 0 HZ1 LYS A 6 11.926 2.837 -4.724 1.00 24.12 H new ATOM 0 HZ2 LYS A 6 11.277 1.292 -4.998 1.00 24.12 H new ATOM 0 HZ3 LYS A 6 12.095 2.103 -6.246 1.00 24.12 H new ATOM 104 N ALA A 7 9.837 -1.178 -8.214 1.00 21.51 N ATOM 105 CA ALA A 7 11.175 -1.181 -8.792 1.00 61.42 C ATOM 106 C ALA A 7 11.177 -1.840 -10.167 1.00 63.53 C ATOM 107 O ALA A 7 11.849 -1.376 -11.088 1.00 0.43 O ATOM 108 CB ALA A 7 12.150 -1.890 -7.863 1.00 51.05 C ATOM 0 H ALA A 7 9.727 -1.785 -7.402 1.00 21.51 H new ATOM 0 HA ALA A 7 11.494 -0.146 -8.914 1.00 61.42 H new ATOM 0 HB1 ALA A 7 13.145 -1.885 -8.307 1.00 51.05 H new ATOM 0 HB2 ALA A 7 12.178 -1.374 -6.903 1.00 51.05 H new ATOM 0 HB3 ALA A 7 11.826 -2.920 -7.712 1.00 51.05 H new ATOM 114 N ALA A 8 10.422 -2.926 -10.299 1.00 62.12 N ATOM 115 CA ALA A 8 10.337 -3.648 -11.563 1.00 34.15 C ATOM 116 C ALA A 8 9.367 -2.964 -12.521 1.00 65.40 C ATOM 117 O ALA A 8 9.590 -2.939 -13.732 1.00 2.55 O ATOM 118 CB ALA A 8 9.913 -5.089 -11.319 1.00 72.02 C ATOM 0 H ALA A 8 9.861 -3.325 -9.547 1.00 62.12 H new ATOM 0 HA ALA A 8 11.325 -3.644 -12.023 1.00 34.15 H new ATOM 0 HB1 ALA A 8 9.853 -5.617 -12.271 1.00 72.02 H new ATOM 0 HB2 ALA A 8 10.645 -5.580 -10.677 1.00 72.02 H new ATOM 0 HB3 ALA A 8 8.937 -5.104 -10.834 1.00 72.02 H new ATOM 124 N VAL A 9 8.290 -2.412 -11.972 1.00 43.20 N ATOM 125 CA VAL A 9 7.287 -1.727 -12.779 1.00 30.34 C ATOM 126 C VAL A 9 7.816 -0.397 -13.302 1.00 5.24 C ATOM 127 O VAL A 9 7.424 0.059 -14.375 1.00 43.20 O ATOM 128 CB VAL A 9 5.998 -1.474 -11.975 1.00 11.15 C ATOM 129 CG1 VAL A 9 6.089 -0.156 -11.220 1.00 24.31 C ATOM 130 CG2 VAL A 9 4.786 -1.488 -12.893 1.00 73.45 C ATOM 0 H VAL A 9 8.089 -2.426 -10.972 1.00 43.20 H new ATOM 0 HA VAL A 9 7.059 -2.380 -13.622 1.00 30.34 H new ATOM 0 HB VAL A 9 5.883 -2.276 -11.246 1.00 11.15 H new ATOM 0 HG11 VAL A 9 5.169 0.006 -10.658 1.00 24.31 H new ATOM 0 HG12 VAL A 9 6.934 -0.188 -10.532 1.00 24.31 H new ATOM 0 HG13 VAL A 9 6.229 0.660 -11.929 1.00 24.31 H new ATOM 0 HG21 VAL A 9 3.884 -1.308 -12.308 1.00 73.45 H new ATOM 0 HG22 VAL A 9 4.892 -0.708 -13.647 1.00 73.45 H new ATOM 0 HG23 VAL A 9 4.712 -2.459 -13.383 1.00 73.45 H new ATOM 140 N GLU A 10 8.710 0.221 -12.535 1.00 62.32 N ATOM 141 CA GLU A 10 9.293 1.500 -12.922 1.00 64.01 C ATOM 142 C GLU A 10 10.275 1.323 -14.077 1.00 4.33 C ATOM 143 O GLU A 10 10.460 2.227 -14.891 1.00 1.51 O ATOM 144 CB GLU A 10 10.003 2.144 -11.729 1.00 54.00 C ATOM 145 CG GLU A 10 9.079 2.957 -10.838 1.00 54.32 C ATOM 146 CD GLU A 10 9.402 4.439 -10.860 1.00 21.41 C ATOM 147 OE1 GLU A 10 9.290 5.054 -11.941 1.00 61.10 O ATOM 148 OE2 GLU A 10 9.767 4.982 -9.797 1.00 3.31 O ATOM 0 H GLU A 10 9.045 -0.143 -11.643 1.00 62.32 H new ATOM 0 HA GLU A 10 8.485 2.154 -13.251 1.00 64.01 H new ATOM 0 HB2 GLU A 10 10.475 1.363 -11.133 1.00 54.00 H new ATOM 0 HB3 GLU A 10 10.800 2.790 -12.097 1.00 54.00 H new ATOM 0 HG2 GLU A 10 8.048 2.809 -11.159 1.00 54.32 H new ATOM 0 HG3 GLU A 10 9.150 2.589 -9.815 1.00 54.32 H new ATOM 155 N GLN A 11 10.902 0.153 -14.139 1.00 21.11 N ATOM 156 CA GLN A 11 11.866 -0.142 -15.192 1.00 42.24 C ATOM 157 C GLN A 11 11.172 -0.726 -16.418 1.00 54.01 C ATOM 158 O GLN A 11 11.824 -1.228 -17.334 1.00 62.12 O ATOM 159 CB GLN A 11 12.930 -1.115 -14.682 1.00 32.32 C ATOM 160 CG GLN A 11 12.357 -2.426 -14.165 1.00 45.43 C ATOM 161 CD GLN A 11 13.434 -3.407 -13.744 1.00 14.42 C ATOM 162 OE1 GLN A 11 13.414 -4.574 -14.136 1.00 10.31 O ATOM 163 NE2 GLN A 11 14.381 -2.937 -12.940 1.00 61.34 N ATOM 0 H GLN A 11 10.760 -0.606 -13.473 1.00 21.11 H new ATOM 0 HA GLN A 11 12.347 0.793 -15.480 1.00 42.24 H new ATOM 0 HB2 GLN A 11 13.632 -1.328 -15.488 1.00 32.32 H new ATOM 0 HB3 GLN A 11 13.496 -0.636 -13.884 1.00 32.32 H new ATOM 0 HG2 GLN A 11 11.704 -2.223 -13.316 1.00 45.43 H new ATOM 0 HG3 GLN A 11 11.740 -2.880 -14.941 1.00 45.43 H new ATOM 0 HE21 GLN A 11 14.358 -1.962 -12.640 1.00 61.34 H new ATOM 0 HE22 GLN A 11 15.131 -3.551 -12.623 1.00 61.34 H new ATOM 172 N LEU A 12 9.845 -0.658 -16.429 1.00 10.34 N ATOM 173 CA LEU A 12 9.061 -1.180 -17.542 1.00 72.52 C ATOM 174 C LEU A 12 9.227 -0.308 -18.782 1.00 54.41 C ATOM 175 O LEU A 12 9.932 0.702 -18.755 1.00 61.51 O ATOM 176 CB LEU A 12 7.583 -1.263 -17.157 1.00 11.05 C ATOM 177 CG LEU A 12 7.183 -2.450 -16.279 1.00 5.43 C ATOM 178 CD1 LEU A 12 5.734 -2.323 -15.837 1.00 52.20 C ATOM 179 CD2 LEU A 12 7.404 -3.760 -17.020 1.00 43.24 C ATOM 0 H LEU A 12 9.290 -0.246 -15.679 1.00 10.34 H new ATOM 0 HA LEU A 12 9.426 -2.181 -17.773 1.00 72.52 H new ATOM 0 HB2 LEU A 12 7.312 -0.344 -16.637 1.00 11.05 H new ATOM 0 HB3 LEU A 12 6.991 -1.298 -18.072 1.00 11.05 H new ATOM 0 HG LEU A 12 7.814 -2.448 -15.390 1.00 5.43 H new ATOM 0 HD11 LEU A 12 5.468 -3.176 -15.213 1.00 52.20 H new ATOM 0 HD12 LEU A 12 5.607 -1.403 -15.266 1.00 52.20 H new ATOM 0 HD13 LEU A 12 5.087 -2.298 -16.714 1.00 52.20 H new ATOM 0 HD21 LEU A 12 7.114 -4.593 -16.380 1.00 43.24 H new ATOM 0 HD22 LEU A 12 6.799 -3.771 -17.927 1.00 43.24 H new ATOM 0 HD23 LEU A 12 8.457 -3.855 -17.285 1.00 43.24 H new ATOM 191 N THR A 13 8.570 -0.701 -19.869 1.00 20.30 N ATOM 192 CA THR A 13 8.643 0.045 -21.119 1.00 4.14 C ATOM 193 C THR A 13 7.375 0.858 -21.349 1.00 12.24 C ATOM 194 O THR A 13 6.335 0.585 -20.750 1.00 2.23 O ATOM 195 CB THR A 13 8.864 -0.892 -22.321 1.00 32.42 C ATOM 196 OG1 THR A 13 8.811 -0.145 -23.541 1.00 42.10 O ATOM 197 CG2 THR A 13 7.814 -1.993 -22.349 1.00 13.24 C ATOM 0 H THR A 13 7.981 -1.533 -19.909 1.00 20.30 H new ATOM 0 HA THR A 13 9.494 0.721 -21.034 1.00 4.14 H new ATOM 0 HB THR A 13 9.847 -1.351 -22.219 1.00 32.42 H new ATOM 0 HG1 THR A 13 8.954 -0.748 -24.300 1.00 42.10 H new ATOM 0 HG21 THR A 13 7.990 -2.642 -23.207 1.00 13.24 H new ATOM 0 HG22 THR A 13 7.876 -2.578 -21.432 1.00 13.24 H new ATOM 0 HG23 THR A 13 6.822 -1.548 -22.429 1.00 13.24 H new ATOM 205 N GLU A 14 7.468 1.858 -22.220 1.00 72.44 N ATOM 206 CA GLU A 14 6.326 2.710 -22.529 1.00 13.24 C ATOM 207 C GLU A 14 5.111 1.873 -22.917 1.00 73.35 C ATOM 208 O GLU A 14 3.975 2.223 -22.597 1.00 64.52 O ATOM 209 CB GLU A 14 6.675 3.679 -23.661 1.00 32.42 C ATOM 210 CG GLU A 14 7.950 4.467 -23.416 1.00 3.03 C ATOM 211 CD GLU A 14 7.972 5.788 -24.160 1.00 15.24 C ATOM 212 OE1 GLU A 14 7.237 6.711 -23.749 1.00 43.31 O ATOM 213 OE2 GLU A 14 8.721 5.899 -25.152 1.00 4.12 O ATOM 0 H GLU A 14 8.322 2.098 -22.724 1.00 72.44 H new ATOM 0 HA GLU A 14 6.080 3.282 -21.634 1.00 13.24 H new ATOM 0 HB2 GLU A 14 6.778 3.118 -24.590 1.00 32.42 H new ATOM 0 HB3 GLU A 14 5.848 4.376 -23.799 1.00 32.42 H new ATOM 0 HG2 GLU A 14 8.057 4.654 -22.348 1.00 3.03 H new ATOM 0 HG3 GLU A 14 8.807 3.868 -23.722 1.00 3.03 H new ATOM 220 N GLU A 15 5.360 0.766 -23.610 1.00 75.23 N ATOM 221 CA GLU A 15 4.286 -0.121 -24.044 1.00 50.41 C ATOM 222 C GLU A 15 3.586 -0.754 -22.845 1.00 71.44 C ATOM 223 O GLU A 15 2.359 -0.849 -22.809 1.00 44.42 O ATOM 224 CB GLU A 15 4.836 -1.213 -24.963 1.00 44.13 C ATOM 225 CG GLU A 15 4.896 -0.805 -26.426 1.00 11.13 C ATOM 226 CD GLU A 15 5.313 -1.946 -27.333 1.00 44.22 C ATOM 227 OE1 GLU A 15 4.469 -2.822 -27.613 1.00 12.30 O ATOM 228 OE2 GLU A 15 6.486 -1.962 -27.764 1.00 13.12 O ATOM 0 H GLU A 15 6.295 0.462 -23.883 1.00 75.23 H new ATOM 0 HA GLU A 15 3.558 0.474 -24.595 1.00 50.41 H new ATOM 0 HB2 GLU A 15 5.837 -1.486 -24.630 1.00 44.13 H new ATOM 0 HB3 GLU A 15 4.214 -2.103 -24.868 1.00 44.13 H new ATOM 0 HG2 GLU A 15 3.918 -0.437 -26.737 1.00 11.13 H new ATOM 0 HG3 GLU A 15 5.598 0.021 -26.541 1.00 11.13 H new ATOM 235 N GLN A 16 4.375 -1.187 -21.868 1.00 22.34 N ATOM 236 CA GLN A 16 3.831 -1.813 -20.668 1.00 64.32 C ATOM 237 C GLN A 16 2.927 -0.846 -19.911 1.00 42.04 C ATOM 238 O GLN A 16 1.742 -1.114 -19.711 1.00 63.04 O ATOM 239 CB GLN A 16 4.964 -2.290 -19.757 1.00 44.55 C ATOM 240 CG GLN A 16 5.651 -3.553 -20.250 1.00 72.23 C ATOM 241 CD GLN A 16 4.963 -4.816 -19.770 1.00 62.03 C ATOM 242 OE1 GLN A 16 4.364 -4.840 -18.695 1.00 54.10 O ATOM 243 NE2 GLN A 16 5.046 -5.875 -20.567 1.00 62.11 N ATOM 0 H GLN A 16 5.392 -1.116 -21.883 1.00 22.34 H new ATOM 0 HA GLN A 16 3.236 -2.673 -20.976 1.00 64.32 H new ATOM 0 HB2 GLN A 16 5.705 -1.495 -19.666 1.00 44.55 H new ATOM 0 HB3 GLN A 16 4.565 -2.470 -18.759 1.00 44.55 H new ATOM 0 HG2 GLN A 16 5.674 -3.548 -21.340 1.00 72.23 H new ATOM 0 HG3 GLN A 16 6.686 -3.556 -19.909 1.00 72.23 H new ATOM 0 HE21 GLN A 16 5.553 -5.810 -21.450 1.00 62.11 H new ATOM 0 HE22 GLN A 16 4.603 -6.753 -20.296 1.00 62.11 H new ATOM 252 N LYS A 17 3.494 0.280 -19.492 1.00 12.30 N ATOM 253 CA LYS A 17 2.740 1.289 -18.758 1.00 13.35 C ATOM 254 C LYS A 17 1.526 1.751 -19.558 1.00 4.50 C ATOM 255 O LYS A 17 0.454 1.982 -19.000 1.00 64.12 O ATOM 256 CB LYS A 17 3.635 2.487 -18.431 1.00 33.23 C ATOM 257 CG LYS A 17 3.549 2.933 -16.981 1.00 74.13 C ATOM 258 CD LYS A 17 4.544 2.187 -16.108 1.00 52.23 C ATOM 259 CE LYS A 17 4.573 2.746 -14.694 1.00 33.11 C ATOM 260 NZ LYS A 17 4.536 1.665 -13.670 1.00 2.32 N ATOM 0 H LYS A 17 4.474 0.517 -19.648 1.00 12.30 H new ATOM 0 HA LYS A 17 2.391 0.840 -17.828 1.00 13.35 H new ATOM 0 HB2 LYS A 17 4.669 2.231 -18.663 1.00 33.23 H new ATOM 0 HB3 LYS A 17 3.360 3.322 -19.076 1.00 33.23 H new ATOM 0 HG2 LYS A 17 3.739 4.004 -16.917 1.00 74.13 H new ATOM 0 HG3 LYS A 17 2.539 2.766 -16.607 1.00 74.13 H new ATOM 0 HD2 LYS A 17 4.281 1.130 -16.077 1.00 52.23 H new ATOM 0 HD3 LYS A 17 5.539 2.256 -16.548 1.00 52.23 H new ATOM 0 HE2 LYS A 17 5.474 3.344 -14.558 1.00 33.11 H new ATOM 0 HE3 LYS A 17 3.723 3.413 -14.549 1.00 33.11 H new ATOM 0 HZ1 LYS A 17 4.472 2.087 -12.722 1.00 2.32 H new ATOM 0 HZ2 LYS A 17 3.708 1.058 -13.836 1.00 2.32 H new ATOM 0 HZ3 LYS A 17 5.403 1.094 -13.737 1.00 2.32 H new ATOM 274 N ASN A 18 1.703 1.883 -20.869 1.00 0.33 N ATOM 275 CA ASN A 18 0.622 2.317 -21.746 1.00 14.12 C ATOM 276 C ASN A 18 -0.493 1.276 -21.790 1.00 52.54 C ATOM 277 O ASN A 18 -1.672 1.619 -21.866 1.00 54.44 O ATOM 278 CB ASN A 18 1.153 2.572 -23.158 1.00 3.14 C ATOM 279 CG ASN A 18 0.044 2.648 -24.188 1.00 74.35 C ATOM 280 OD1 ASN A 18 -0.842 3.499 -24.102 1.00 60.42 O ATOM 281 ND2 ASN A 18 0.087 1.755 -25.171 1.00 11.13 N ATOM 0 H ASN A 18 2.584 1.696 -21.347 1.00 0.33 H new ATOM 0 HA ASN A 18 0.214 3.245 -21.346 1.00 14.12 H new ATOM 0 HB2 ASN A 18 1.718 3.504 -23.168 1.00 3.14 H new ATOM 0 HB3 ASN A 18 1.846 1.776 -23.432 1.00 3.14 H new ATOM 0 HD21 ASN A 18 -0.633 1.757 -25.894 1.00 11.13 H new ATOM 0 HD22 ASN A 18 0.840 1.068 -25.203 1.00 11.13 H new ATOM 288 N GLU A 19 -0.110 0.004 -21.742 1.00 52.31 N ATOM 289 CA GLU A 19 -1.078 -1.086 -21.777 1.00 41.12 C ATOM 290 C GLU A 19 -1.946 -1.084 -20.522 1.00 4.11 C ATOM 291 O GLU A 19 -3.155 -1.302 -20.590 1.00 14.15 O ATOM 292 CB GLU A 19 -0.360 -2.430 -21.912 1.00 71.42 C ATOM 293 CG GLU A 19 -0.105 -2.842 -23.352 1.00 61.33 C ATOM 294 CD GLU A 19 0.070 -4.340 -23.508 1.00 74.55 C ATOM 295 OE1 GLU A 19 0.986 -4.900 -22.871 1.00 2.02 O ATOM 296 OE2 GLU A 19 -0.710 -4.953 -24.268 1.00 24.22 O ATOM 0 H GLU A 19 0.863 -0.297 -21.679 1.00 52.31 H new ATOM 0 HA GLU A 19 -1.723 -0.938 -22.643 1.00 41.12 H new ATOM 0 HB2 GLU A 19 0.592 -2.378 -21.384 1.00 71.42 H new ATOM 0 HB3 GLU A 19 -0.955 -3.201 -21.422 1.00 71.42 H new ATOM 0 HG2 GLU A 19 -0.937 -2.511 -23.974 1.00 61.33 H new ATOM 0 HG3 GLU A 19 0.788 -2.336 -23.718 1.00 61.33 H new ATOM 303 N PHE A 20 -1.318 -0.837 -19.377 1.00 13.23 N ATOM 304 CA PHE A 20 -2.032 -0.808 -18.105 1.00 44.31 C ATOM 305 C PHE A 20 -3.009 0.363 -18.057 1.00 33.14 C ATOM 306 O PHE A 20 -4.158 0.211 -17.641 1.00 31.14 O ATOM 307 CB PHE A 20 -1.042 -0.708 -16.943 1.00 25.52 C ATOM 308 CG PHE A 20 -0.055 -1.840 -16.897 1.00 60.15 C ATOM 309 CD1 PHE A 20 -0.429 -3.118 -17.280 1.00 23.31 C ATOM 310 CD2 PHE A 20 1.246 -1.626 -16.472 1.00 1.31 C ATOM 311 CE1 PHE A 20 0.477 -4.162 -17.240 1.00 12.13 C ATOM 312 CE2 PHE A 20 2.156 -2.665 -16.430 1.00 60.11 C ATOM 313 CZ PHE A 20 1.771 -3.935 -16.813 1.00 54.02 C ATOM 0 H PHE A 20 -0.317 -0.654 -19.304 1.00 13.23 H new ATOM 0 HA PHE A 20 -2.598 -1.735 -18.013 1.00 44.31 H new ATOM 0 HB2 PHE A 20 -0.499 0.234 -17.019 1.00 25.52 H new ATOM 0 HB3 PHE A 20 -1.597 -0.682 -16.005 1.00 25.52 H new ATOM 0 HD1 PHE A 20 -1.440 -3.301 -17.614 1.00 23.31 H new ATOM 0 HD2 PHE A 20 1.553 -0.635 -16.170 1.00 1.31 H new ATOM 0 HE1 PHE A 20 0.173 -5.153 -17.542 1.00 12.13 H new ATOM 0 HE2 PHE A 20 3.168 -2.484 -16.098 1.00 60.11 H new ATOM 0 HZ PHE A 20 2.480 -4.749 -16.779 1.00 54.02 H new ATOM 323 N LYS A 21 -2.545 1.532 -18.484 1.00 63.14 N ATOM 324 CA LYS A 21 -3.376 2.730 -18.491 1.00 61.24 C ATOM 325 C LYS A 21 -4.442 2.646 -19.579 1.00 42.13 C ATOM 326 O LYS A 21 -5.565 3.116 -19.398 1.00 63.24 O ATOM 327 CB LYS A 21 -2.511 3.974 -18.704 1.00 52.35 C ATOM 328 CG LYS A 21 -3.077 5.226 -18.056 1.00 44.23 C ATOM 329 CD LYS A 21 -2.005 6.285 -17.859 1.00 24.32 C ATOM 330 CE LYS A 21 -2.509 7.436 -17.003 1.00 13.23 C ATOM 331 NZ LYS A 21 -1.390 8.249 -16.451 1.00 12.02 N ATOM 0 H LYS A 21 -1.596 1.676 -18.830 1.00 63.14 H new ATOM 0 HA LYS A 21 -3.874 2.803 -17.524 1.00 61.24 H new ATOM 0 HB2 LYS A 21 -1.515 3.786 -18.304 1.00 52.35 H new ATOM 0 HB3 LYS A 21 -2.397 4.148 -19.774 1.00 52.35 H new ATOM 0 HG2 LYS A 21 -3.877 5.628 -18.677 1.00 44.23 H new ATOM 0 HG3 LYS A 21 -3.519 4.970 -17.093 1.00 44.23 H new ATOM 0 HD2 LYS A 21 -1.131 5.836 -17.388 1.00 24.32 H new ATOM 0 HD3 LYS A 21 -1.685 6.665 -18.829 1.00 24.32 H new ATOM 0 HE2 LYS A 21 -3.161 8.074 -17.600 1.00 13.23 H new ATOM 0 HE3 LYS A 21 -3.111 7.043 -16.184 1.00 13.23 H new ATOM 0 HZ1 LYS A 21 -1.767 8.949 -15.780 1.00 12.02 H new ATOM 0 HZ2 LYS A 21 -0.718 7.626 -15.960 1.00 12.02 H new ATOM 0 HZ3 LYS A 21 -0.903 8.741 -17.227 1.00 12.02 H new ATOM 345 N ALA A 22 -4.083 2.044 -20.708 1.00 65.12 N ATOM 346 CA ALA A 22 -5.009 1.896 -21.823 1.00 74.34 C ATOM 347 C ALA A 22 -6.076 0.850 -21.515 1.00 52.54 C ATOM 348 O ALA A 22 -7.223 0.976 -21.942 1.00 54.44 O ATOM 349 CB ALA A 22 -4.255 1.525 -23.091 1.00 64.33 C ATOM 0 H ALA A 22 -3.157 1.651 -20.874 1.00 65.12 H new ATOM 0 HA ALA A 22 -5.508 2.853 -21.977 1.00 74.34 H new ATOM 0 HB1 ALA A 22 -4.960 1.418 -23.915 1.00 64.33 H new ATOM 0 HB2 ALA A 22 -3.535 2.308 -23.329 1.00 64.33 H new ATOM 0 HB3 ALA A 22 -3.729 0.583 -22.939 1.00 64.33 H new ATOM 355 N ALA A 23 -5.690 -0.181 -20.772 1.00 62.44 N ATOM 356 CA ALA A 23 -6.614 -1.248 -20.407 1.00 3.24 C ATOM 357 C ALA A 23 -7.422 -0.873 -19.169 1.00 72.20 C ATOM 358 O ALA A 23 -8.581 -1.264 -19.031 1.00 35.02 O ATOM 359 CB ALA A 23 -5.855 -2.546 -20.171 1.00 12.50 C ATOM 0 H ALA A 23 -4.744 -0.301 -20.411 1.00 62.44 H new ATOM 0 HA ALA A 23 -7.310 -1.392 -21.234 1.00 3.24 H new ATOM 0 HB1 ALA A 23 -6.557 -3.334 -19.899 1.00 12.50 H new ATOM 0 HB2 ALA A 23 -5.327 -2.829 -21.081 1.00 12.50 H new ATOM 0 HB3 ALA A 23 -5.137 -2.406 -19.363 1.00 12.50 H new ATOM 365 N PHE A 24 -6.803 -0.114 -18.271 1.00 31.20 N ATOM 366 CA PHE A 24 -7.465 0.312 -17.043 1.00 70.14 C ATOM 367 C PHE A 24 -8.665 1.202 -17.353 1.00 72.24 C ATOM 368 O PHE A 24 -9.633 1.244 -16.594 1.00 1.15 O ATOM 369 CB PHE A 24 -6.481 1.059 -16.141 1.00 40.42 C ATOM 370 CG PHE A 24 -7.109 1.604 -14.890 1.00 73.13 C ATOM 371 CD1 PHE A 24 -7.368 0.774 -13.812 1.00 34.34 C ATOM 372 CD2 PHE A 24 -7.440 2.946 -14.793 1.00 34.30 C ATOM 373 CE1 PHE A 24 -7.947 1.272 -12.660 1.00 12.12 C ATOM 374 CE2 PHE A 24 -8.019 3.450 -13.643 1.00 71.14 C ATOM 375 CZ PHE A 24 -8.272 2.612 -12.575 1.00 41.01 C ATOM 0 H PHE A 24 -5.844 0.219 -18.370 1.00 31.20 H new ATOM 0 HA PHE A 24 -7.820 -0.578 -16.523 1.00 70.14 H new ATOM 0 HB2 PHE A 24 -5.669 0.386 -15.867 1.00 40.42 H new ATOM 0 HB3 PHE A 24 -6.037 1.881 -16.703 1.00 40.42 H new ATOM 0 HD1 PHE A 24 -7.115 -0.274 -13.872 1.00 34.34 H new ATOM 0 HD2 PHE A 24 -7.244 3.606 -15.625 1.00 34.30 H new ATOM 0 HE1 PHE A 24 -8.145 0.614 -11.827 1.00 12.12 H new ATOM 0 HE2 PHE A 24 -8.273 4.498 -13.580 1.00 71.14 H new ATOM 0 HZ PHE A 24 -8.723 3.003 -11.675 1.00 41.01 H new ATOM 385 N ASP A 25 -8.594 1.911 -18.474 1.00 42.50 N ATOM 386 CA ASP A 25 -9.674 2.801 -18.886 1.00 22.30 C ATOM 387 C ASP A 25 -10.951 2.013 -19.162 1.00 43.13 C ATOM 388 O ASP A 25 -12.046 2.441 -18.798 1.00 33.24 O ATOM 389 CB ASP A 25 -9.267 3.589 -20.132 1.00 4.44 C ATOM 390 CG ASP A 25 -10.245 4.700 -20.459 1.00 1.42 C ATOM 391 OD1 ASP A 25 -10.577 5.487 -19.547 1.00 30.32 O ATOM 392 OD2 ASP A 25 -10.678 4.784 -21.627 1.00 2.21 O ATOM 0 H ASP A 25 -7.800 1.887 -19.114 1.00 42.50 H new ATOM 0 HA ASP A 25 -9.868 3.499 -18.072 1.00 22.30 H new ATOM 0 HB2 ASP A 25 -8.275 4.015 -19.981 1.00 4.44 H new ATOM 0 HB3 ASP A 25 -9.196 2.909 -20.981 1.00 4.44 H new ATOM 397 N ILE A 26 -10.801 0.862 -19.809 1.00 55.21 N ATOM 398 CA ILE A 26 -11.943 0.016 -20.134 1.00 63.50 C ATOM 399 C ILE A 26 -12.591 -0.542 -18.871 1.00 65.33 C ATOM 400 O ILE A 26 -13.815 -0.633 -18.777 1.00 3.13 O ATOM 401 CB ILE A 26 -11.533 -1.155 -21.048 1.00 14.15 C ATOM 402 CG1 ILE A 26 -10.974 -0.627 -22.370 1.00 4.31 C ATOM 403 CG2 ILE A 26 -12.721 -2.072 -21.297 1.00 71.15 C ATOM 404 CD1 ILE A 26 -9.472 -0.765 -22.489 1.00 20.32 C ATOM 0 H ILE A 26 -9.901 0.494 -20.118 1.00 55.21 H new ATOM 0 HA ILE A 26 -12.662 0.644 -20.661 1.00 63.50 H new ATOM 0 HB ILE A 26 -10.753 -1.730 -20.550 1.00 14.15 H new ATOM 0 HG12 ILE A 26 -11.446 -1.162 -23.194 1.00 4.31 H new ATOM 0 HG13 ILE A 26 -11.244 0.424 -22.475 1.00 4.31 H new ATOM 0 HG21 ILE A 26 -12.416 -2.894 -21.944 1.00 71.15 H new ATOM 0 HG22 ILE A 26 -13.078 -2.471 -20.347 1.00 71.15 H new ATOM 0 HG23 ILE A 26 -13.521 -1.509 -21.778 1.00 71.15 H new ATOM 0 HD11 ILE A 26 -9.145 -0.370 -23.451 1.00 20.32 H new ATOM 0 HD12 ILE A 26 -8.991 -0.207 -21.686 1.00 20.32 H new ATOM 0 HD13 ILE A 26 -9.196 -1.817 -22.416 1.00 20.32 H new ATOM 416 N PHE A 27 -11.761 -0.914 -17.902 1.00 1.52 N ATOM 417 CA PHE A 27 -12.253 -1.462 -16.643 1.00 44.02 C ATOM 418 C PHE A 27 -13.110 -0.440 -15.903 1.00 12.03 C ATOM 419 O PHE A 27 -14.237 -0.732 -15.501 1.00 64.32 O ATOM 420 CB PHE A 27 -11.081 -1.897 -15.760 1.00 74.41 C ATOM 421 CG PHE A 27 -10.537 -3.252 -16.112 1.00 25.10 C ATOM 422 CD1 PHE A 27 -11.218 -4.403 -15.749 1.00 43.15 C ATOM 423 CD2 PHE A 27 -9.343 -3.375 -16.806 1.00 15.33 C ATOM 424 CE1 PHE A 27 -10.718 -5.651 -16.071 1.00 50.44 C ATOM 425 CE2 PHE A 27 -8.839 -4.620 -17.131 1.00 10.11 C ATOM 426 CZ PHE A 27 -9.528 -5.759 -16.764 1.00 61.20 C ATOM 0 H PHE A 27 -10.745 -0.846 -17.964 1.00 1.52 H new ATOM 0 HA PHE A 27 -12.871 -2.331 -16.870 1.00 44.02 H new ATOM 0 HB2 PHE A 27 -10.282 -1.161 -15.842 1.00 74.41 H new ATOM 0 HB3 PHE A 27 -11.403 -1.903 -14.719 1.00 74.41 H new ATOM 0 HD1 PHE A 27 -12.150 -4.324 -15.209 1.00 43.15 H new ATOM 0 HD2 PHE A 27 -8.800 -2.487 -17.096 1.00 15.33 H new ATOM 0 HE1 PHE A 27 -11.257 -6.541 -15.781 1.00 50.44 H new ATOM 0 HE2 PHE A 27 -7.907 -4.702 -17.671 1.00 10.11 H new ATOM 0 HZ PHE A 27 -9.137 -6.733 -17.018 1.00 61.20 H new ATOM 436 N VAL A 28 -12.568 0.761 -15.725 1.00 31.32 N ATOM 437 CA VAL A 28 -13.282 1.827 -15.033 1.00 54.24 C ATOM 438 C VAL A 28 -14.204 2.580 -15.987 1.00 23.40 C ATOM 439 O VAL A 28 -14.840 3.563 -15.606 1.00 52.13 O ATOM 440 CB VAL A 28 -12.307 2.827 -14.384 1.00 20.32 C ATOM 441 CG1 VAL A 28 -11.279 2.095 -13.534 1.00 75.31 C ATOM 442 CG2 VAL A 28 -11.625 3.673 -15.448 1.00 52.30 C ATOM 0 H VAL A 28 -11.637 1.020 -16.051 1.00 31.32 H new ATOM 0 HA VAL A 28 -13.878 1.354 -14.253 1.00 54.24 H new ATOM 0 HB VAL A 28 -12.875 3.491 -13.733 1.00 20.32 H new ATOM 0 HG11 VAL A 28 -10.599 2.818 -13.083 1.00 75.31 H new ATOM 0 HG12 VAL A 28 -11.788 1.537 -12.748 1.00 75.31 H new ATOM 0 HG13 VAL A 28 -10.713 1.406 -14.161 1.00 75.31 H new ATOM 0 HG21 VAL A 28 -10.940 4.374 -14.971 1.00 52.30 H new ATOM 0 HG22 VAL A 28 -11.069 3.026 -16.126 1.00 52.30 H new ATOM 0 HG23 VAL A 28 -12.377 4.226 -16.010 1.00 52.30 H new ATOM 452 N LEU A 29 -14.271 2.111 -17.228 1.00 50.33 N ATOM 453 CA LEU A 29 -15.116 2.739 -18.238 1.00 42.42 C ATOM 454 C LEU A 29 -16.590 2.621 -17.865 1.00 51.11 C ATOM 455 O LEU A 29 -17.425 3.390 -18.341 1.00 22.44 O ATOM 456 CB LEU A 29 -14.871 2.099 -19.606 1.00 11.51 C ATOM 457 CG LEU A 29 -15.991 1.204 -20.138 1.00 42.30 C ATOM 458 CD1 LEU A 29 -17.033 2.033 -20.872 1.00 53.14 C ATOM 459 CD2 LEU A 29 -15.424 0.127 -21.051 1.00 22.33 C ATOM 0 H LEU A 29 -13.751 1.299 -17.559 1.00 50.33 H new ATOM 0 HA LEU A 29 -14.857 3.797 -18.287 1.00 42.42 H new ATOM 0 HB2 LEU A 29 -14.693 2.894 -20.330 1.00 11.51 H new ATOM 0 HB3 LEU A 29 -13.957 1.508 -19.550 1.00 11.51 H new ATOM 0 HG LEU A 29 -16.475 0.717 -19.291 1.00 42.30 H new ATOM 0 HD11 LEU A 29 -17.822 1.379 -21.244 1.00 53.14 H new ATOM 0 HD12 LEU A 29 -17.461 2.767 -20.189 1.00 53.14 H new ATOM 0 HD13 LEU A 29 -16.564 2.548 -21.710 1.00 53.14 H new ATOM 0 HD21 LEU A 29 -16.235 -0.501 -21.420 1.00 22.33 H new ATOM 0 HD22 LEU A 29 -14.915 0.595 -21.893 1.00 22.33 H new ATOM 0 HD23 LEU A 29 -14.715 -0.486 -20.494 1.00 22.33 H new ATOM 471 N GLY A 30 -16.903 1.653 -17.008 1.00 41.55 N ATOM 472 CA GLY A 30 -18.276 1.454 -16.584 1.00 72.43 C ATOM 473 C GLY A 30 -18.628 2.268 -15.355 1.00 63.20 C ATOM 474 O GLY A 30 -19.791 2.604 -15.137 1.00 12.20 O ATOM 0 H GLY A 30 -16.230 1.004 -16.600 1.00 41.55 H new ATOM 0 HA2 GLY A 30 -18.947 1.724 -17.399 1.00 72.43 H new ATOM 0 HA3 GLY A 30 -18.438 0.397 -16.374 1.00 72.43 H new ATOM 478 N ALA A 31 -17.620 2.584 -14.549 1.00 2.14 N ATOM 479 CA ALA A 31 -17.828 3.364 -13.335 1.00 53.11 C ATOM 480 C ALA A 31 -18.091 4.830 -13.663 1.00 2.10 C ATOM 481 O ALA A 31 -18.072 5.227 -14.827 1.00 51.54 O ATOM 482 CB ALA A 31 -16.626 3.235 -12.412 1.00 31.14 C ATOM 0 H ALA A 31 -16.651 2.312 -14.715 1.00 2.14 H new ATOM 0 HA ALA A 31 -18.707 2.969 -12.825 1.00 53.11 H new ATOM 0 HB1 ALA A 31 -16.795 3.823 -11.510 1.00 31.14 H new ATOM 0 HB2 ALA A 31 -16.485 2.188 -12.142 1.00 31.14 H new ATOM 0 HB3 ALA A 31 -15.735 3.601 -12.922 1.00 31.14 H new ATOM 488 N GLU A 32 -18.336 5.628 -12.629 1.00 2.53 N ATOM 489 CA GLU A 32 -18.604 7.050 -12.809 1.00 3.51 C ATOM 490 C GLU A 32 -17.415 7.890 -12.351 1.00 1.44 C ATOM 491 O GLU A 32 -17.122 8.938 -12.928 1.00 30.24 O ATOM 492 CB GLU A 32 -19.859 7.458 -12.034 1.00 62.23 C ATOM 493 CG GLU A 32 -21.153 7.007 -12.691 1.00 64.21 C ATOM 494 CD GLU A 32 -22.360 7.777 -12.192 1.00 23.22 C ATOM 495 OE1 GLU A 32 -22.663 7.688 -10.984 1.00 21.22 O ATOM 496 OE2 GLU A 32 -23.001 8.469 -13.010 1.00 40.00 O ATOM 0 H GLU A 32 -18.354 5.314 -11.659 1.00 2.53 H new ATOM 0 HA GLU A 32 -18.767 7.231 -13.871 1.00 3.51 H new ATOM 0 HB2 GLU A 32 -19.807 7.040 -11.029 1.00 62.23 H new ATOM 0 HB3 GLU A 32 -19.874 8.543 -11.928 1.00 62.23 H new ATOM 0 HG2 GLU A 32 -21.070 7.129 -13.771 1.00 64.21 H new ATOM 0 HG3 GLU A 32 -21.301 5.944 -12.501 1.00 64.21 H new ATOM 503 N ASP A 33 -16.735 7.424 -11.309 1.00 63.55 N ATOM 504 CA ASP A 33 -15.577 8.130 -10.773 1.00 15.40 C ATOM 505 C ASP A 33 -14.290 7.642 -11.429 1.00 60.41 C ATOM 506 O ASP A 33 -13.343 8.407 -11.608 1.00 31.53 O ATOM 507 CB ASP A 33 -15.496 7.942 -9.257 1.00 65.14 C ATOM 508 CG ASP A 33 -16.752 8.406 -8.547 1.00 73.45 C ATOM 509 OD1 ASP A 33 -17.082 9.606 -8.649 1.00 22.33 O ATOM 510 OD2 ASP A 33 -17.406 7.569 -7.890 1.00 21.41 O ATOM 0 H ASP A 33 -16.966 6.560 -10.819 1.00 63.55 H new ATOM 0 HA ASP A 33 -15.695 9.191 -10.994 1.00 15.40 H new ATOM 0 HB2 ASP A 33 -15.324 6.889 -9.033 1.00 65.14 H new ATOM 0 HB3 ASP A 33 -14.639 8.494 -8.871 1.00 65.14 H new ATOM 515 N GLY A 34 -14.262 6.361 -11.786 1.00 33.15 N ATOM 516 CA GLY A 34 -13.086 5.792 -12.417 1.00 20.23 C ATOM 517 C GLY A 34 -12.449 4.701 -11.579 1.00 2.23 C ATOM 518 O GLY A 34 -11.234 4.696 -11.375 1.00 32.43 O ATOM 0 H GLY A 34 -15.033 5.708 -11.649 1.00 33.15 H new ATOM 0 HA2 GLY A 34 -13.361 5.385 -13.390 1.00 20.23 H new ATOM 0 HA3 GLY A 34 -12.356 6.581 -12.596 1.00 20.23 H new ATOM 522 N CYS A 35 -13.269 3.777 -11.091 1.00 2.11 N ATOM 523 CA CYS A 35 -12.778 2.677 -10.268 1.00 13.33 C ATOM 524 C CYS A 35 -13.494 1.376 -10.616 1.00 44.23 C ATOM 525 O CYS A 35 -14.417 1.363 -11.430 1.00 55.23 O ATOM 526 CB CYS A 35 -12.971 2.998 -8.785 1.00 24.33 C ATOM 527 SG CYS A 35 -12.382 4.638 -8.301 1.00 74.34 S ATOM 0 H CYS A 35 -14.276 3.767 -11.251 1.00 2.11 H new ATOM 0 HA CYS A 35 -11.714 2.550 -10.470 1.00 13.33 H new ATOM 0 HB2 CYS A 35 -14.031 2.918 -8.542 1.00 24.33 H new ATOM 0 HB3 CYS A 35 -12.450 2.247 -8.191 1.00 24.33 H new ATOM 0 HG CYS A 35 -12.590 4.816 -7.030 1.00 74.34 H new ATOM 533 N ILE A 36 -13.059 0.284 -9.997 1.00 13.05 N ATOM 534 CA ILE A 36 -13.658 -1.022 -10.242 1.00 70.10 C ATOM 535 C ILE A 36 -14.178 -1.641 -8.949 1.00 4.54 C ATOM 536 O ILE A 36 -13.420 -1.853 -8.002 1.00 70.10 O ATOM 537 CB ILE A 36 -12.651 -1.990 -10.892 1.00 54.53 C ATOM 538 CG1 ILE A 36 -12.075 -1.377 -12.170 1.00 62.03 C ATOM 539 CG2 ILE A 36 -13.317 -3.324 -11.192 1.00 33.23 C ATOM 540 CD1 ILE A 36 -10.563 -1.352 -12.200 1.00 3.05 C ATOM 0 H ILE A 36 -12.294 0.278 -9.322 1.00 13.05 H new ATOM 0 HA ILE A 36 -14.491 -0.863 -10.926 1.00 70.10 H new ATOM 0 HB ILE A 36 -11.833 -2.164 -10.193 1.00 54.53 H new ATOM 0 HG12 ILE A 36 -12.438 -1.941 -13.029 1.00 62.03 H new ATOM 0 HG13 ILE A 36 -12.449 -0.359 -12.276 1.00 62.03 H new ATOM 0 HG21 ILE A 36 -12.593 -3.997 -11.651 1.00 33.23 H new ATOM 0 HG22 ILE A 36 -13.684 -3.764 -10.265 1.00 33.23 H new ATOM 0 HG23 ILE A 36 -14.152 -3.168 -11.876 1.00 33.23 H new ATOM 0 HD11 ILE A 36 -10.225 -0.904 -13.135 1.00 3.05 H new ATOM 0 HD12 ILE A 36 -10.192 -0.764 -11.361 1.00 3.05 H new ATOM 0 HD13 ILE A 36 -10.181 -2.370 -12.126 1.00 3.05 H new ATOM 552 N SER A 37 -15.475 -1.929 -8.916 1.00 42.23 N ATOM 553 CA SER A 37 -16.097 -2.522 -7.738 1.00 41.32 C ATOM 554 C SER A 37 -16.042 -4.045 -7.803 1.00 43.03 C ATOM 555 O SER A 37 -16.310 -4.644 -8.845 1.00 64.52 O ATOM 556 CB SER A 37 -17.549 -2.058 -7.614 1.00 54.54 C ATOM 557 OG SER A 37 -18.227 -2.770 -6.594 1.00 73.22 O ATOM 0 H SER A 37 -16.116 -1.761 -9.692 1.00 42.23 H new ATOM 0 HA SER A 37 -15.541 -2.193 -6.860 1.00 41.32 H new ATOM 0 HB2 SER A 37 -17.575 -0.990 -7.396 1.00 54.54 H new ATOM 0 HB3 SER A 37 -18.062 -2.202 -8.565 1.00 54.54 H new ATOM 0 HG SER A 37 -19.153 -2.453 -6.534 1.00 73.22 H new ATOM 563 N THR A 38 -15.692 -4.667 -6.681 1.00 42.25 N ATOM 564 CA THR A 38 -15.600 -6.119 -6.610 1.00 24.44 C ATOM 565 C THR A 38 -16.839 -6.779 -7.203 1.00 33.02 C ATOM 566 O THR A 38 -16.761 -7.861 -7.785 1.00 34.10 O ATOM 567 CB THR A 38 -15.422 -6.600 -5.157 1.00 1.11 C ATOM 568 OG1 THR A 38 -15.718 -7.998 -5.064 1.00 5.24 O ATOM 569 CG2 THR A 38 -16.327 -5.821 -4.215 1.00 12.13 C ATOM 0 H THR A 38 -15.468 -4.187 -5.809 1.00 42.25 H new ATOM 0 HA THR A 38 -14.725 -6.409 -7.191 1.00 24.44 H new ATOM 0 HB THR A 38 -14.386 -6.428 -4.865 1.00 1.11 H new ATOM 0 HG1 THR A 38 -16.213 -8.173 -4.237 1.00 5.24 H new ATOM 0 HG21 THR A 38 -16.184 -6.178 -3.195 1.00 12.13 H new ATOM 0 HG22 THR A 38 -16.079 -4.761 -4.266 1.00 12.13 H new ATOM 0 HG23 THR A 38 -17.367 -5.965 -4.507 1.00 12.13 H new ATOM 577 N LYS A 39 -17.983 -6.120 -7.052 1.00 74.55 N ATOM 578 CA LYS A 39 -19.241 -6.641 -7.575 1.00 70.41 C ATOM 579 C LYS A 39 -19.221 -6.683 -9.100 1.00 20.03 C ATOM 580 O LYS A 39 -19.639 -7.668 -9.708 1.00 4.13 O ATOM 581 CB LYS A 39 -20.412 -5.782 -7.093 1.00 72.31 C ATOM 582 CG LYS A 39 -21.764 -6.259 -7.596 1.00 63.03 C ATOM 583 CD LYS A 39 -22.874 -5.295 -7.211 1.00 63.51 C ATOM 584 CE LYS A 39 -24.230 -5.784 -7.697 1.00 64.12 C ATOM 585 NZ LYS A 39 -24.834 -6.768 -6.757 1.00 70.43 N ATOM 0 H LYS A 39 -18.065 -5.224 -6.572 1.00 74.55 H new ATOM 0 HA LYS A 39 -19.367 -7.658 -7.203 1.00 70.41 H new ATOM 0 HB2 LYS A 39 -20.421 -5.774 -6.003 1.00 72.31 H new ATOM 0 HB3 LYS A 39 -20.255 -4.753 -7.418 1.00 72.31 H new ATOM 0 HG2 LYS A 39 -21.733 -6.365 -8.680 1.00 63.03 H new ATOM 0 HG3 LYS A 39 -21.979 -7.245 -7.185 1.00 63.03 H new ATOM 0 HD2 LYS A 39 -22.895 -5.177 -6.128 1.00 63.51 H new ATOM 0 HD3 LYS A 39 -22.667 -4.312 -7.635 1.00 63.51 H new ATOM 0 HE2 LYS A 39 -24.902 -4.934 -7.814 1.00 64.12 H new ATOM 0 HE3 LYS A 39 -24.120 -6.241 -8.680 1.00 64.12 H new ATOM 0 HZ1 LYS A 39 -25.757 -7.077 -7.124 1.00 70.43 H new ATOM 0 HZ2 LYS A 39 -24.205 -7.591 -6.665 1.00 70.43 H new ATOM 0 HZ3 LYS A 39 -24.963 -6.324 -5.825 1.00 70.43 H new ATOM 599 N GLU A 40 -18.732 -5.608 -9.710 1.00 63.33 N ATOM 600 CA GLU A 40 -18.657 -5.524 -11.164 1.00 73.22 C ATOM 601 C GLU A 40 -17.475 -6.329 -11.696 1.00 32.40 C ATOM 602 O GLU A 40 -17.525 -6.870 -12.801 1.00 61.45 O ATOM 603 CB GLU A 40 -18.535 -4.065 -11.607 1.00 42.31 C ATOM 604 CG GLU A 40 -19.499 -3.130 -10.896 1.00 42.11 C ATOM 605 CD GLU A 40 -20.948 -3.414 -11.240 1.00 61.04 C ATOM 606 OE1 GLU A 40 -21.214 -3.842 -12.383 1.00 21.53 O ATOM 607 OE2 GLU A 40 -21.816 -3.208 -10.367 1.00 11.24 O ATOM 0 H GLU A 40 -18.382 -4.784 -9.221 1.00 63.33 H new ATOM 0 HA GLU A 40 -19.575 -5.945 -11.574 1.00 73.22 H new ATOM 0 HB2 GLU A 40 -17.515 -3.725 -11.430 1.00 42.31 H new ATOM 0 HB3 GLU A 40 -18.709 -4.005 -12.681 1.00 42.31 H new ATOM 0 HG2 GLU A 40 -19.361 -3.222 -9.819 1.00 42.11 H new ATOM 0 HG3 GLU A 40 -19.262 -2.100 -11.161 1.00 42.11 H new ATOM 614 N LEU A 41 -16.413 -6.404 -10.902 1.00 22.01 N ATOM 615 CA LEU A 41 -15.217 -7.142 -11.292 1.00 24.53 C ATOM 616 C LEU A 41 -15.526 -8.626 -11.468 1.00 43.33 C ATOM 617 O LEU A 41 -14.965 -9.287 -12.341 1.00 31.42 O ATOM 618 CB LEU A 41 -14.117 -6.960 -10.244 1.00 61.21 C ATOM 619 CG LEU A 41 -12.828 -7.748 -10.480 1.00 61.21 C ATOM 620 CD1 LEU A 41 -12.434 -7.700 -11.948 1.00 72.42 C ATOM 621 CD2 LEU A 41 -11.705 -7.208 -9.607 1.00 1.41 C ATOM 0 H LEU A 41 -16.356 -5.963 -9.984 1.00 22.01 H new ATOM 0 HA LEU A 41 -14.871 -6.746 -12.247 1.00 24.53 H new ATOM 0 HB2 LEU A 41 -13.867 -5.901 -10.189 1.00 61.21 H new ATOM 0 HB3 LEU A 41 -14.519 -7.243 -9.271 1.00 61.21 H new ATOM 0 HG LEU A 41 -13.006 -8.788 -10.206 1.00 61.21 H new ATOM 0 HD11 LEU A 41 -11.515 -8.266 -12.097 1.00 72.42 H new ATOM 0 HD12 LEU A 41 -13.230 -8.135 -12.553 1.00 72.42 H new ATOM 0 HD13 LEU A 41 -12.275 -6.664 -12.248 1.00 72.42 H new ATOM 0 HD21 LEU A 41 -10.796 -7.781 -9.788 1.00 1.41 H new ATOM 0 HD22 LEU A 41 -11.528 -6.160 -9.849 1.00 1.41 H new ATOM 0 HD23 LEU A 41 -11.986 -7.296 -8.557 1.00 1.41 H new ATOM 633 N GLY A 42 -16.424 -9.141 -10.634 1.00 61.44 N ATOM 634 CA GLY A 42 -16.794 -10.542 -10.716 1.00 63.33 C ATOM 635 C GLY A 42 -17.678 -10.840 -11.911 1.00 44.32 C ATOM 636 O GLY A 42 -17.642 -11.941 -12.461 1.00 11.20 O ATOM 0 H GLY A 42 -16.902 -8.613 -9.903 1.00 61.44 H new ATOM 0 HA2 GLY A 42 -15.891 -11.150 -10.775 1.00 63.33 H new ATOM 0 HA3 GLY A 42 -17.314 -10.831 -9.803 1.00 63.33 H new ATOM 640 N LYS A 43 -18.475 -9.856 -12.315 1.00 31.44 N ATOM 641 CA LYS A 43 -19.373 -10.017 -13.452 1.00 13.22 C ATOM 642 C LYS A 43 -18.587 -10.154 -14.751 1.00 44.24 C ATOM 643 O LYS A 43 -18.832 -11.063 -15.545 1.00 10.15 O ATOM 644 CB LYS A 43 -20.329 -8.825 -13.545 1.00 72.31 C ATOM 645 CG LYS A 43 -21.763 -9.165 -13.175 1.00 25.03 C ATOM 646 CD LYS A 43 -22.750 -8.225 -13.847 1.00 23.45 C ATOM 647 CE LYS A 43 -23.708 -8.980 -14.755 1.00 31.42 C ATOM 648 NZ LYS A 43 -23.126 -9.212 -16.106 1.00 2.42 N ATOM 0 H LYS A 43 -18.517 -8.938 -11.871 1.00 31.44 H new ATOM 0 HA LYS A 43 -19.951 -10.928 -13.300 1.00 13.22 H new ATOM 0 HB2 LYS A 43 -19.972 -8.031 -12.889 1.00 72.31 H new ATOM 0 HB3 LYS A 43 -20.308 -8.432 -14.561 1.00 72.31 H new ATOM 0 HG2 LYS A 43 -21.981 -10.192 -13.467 1.00 25.03 H new ATOM 0 HG3 LYS A 43 -21.884 -9.108 -12.093 1.00 25.03 H new ATOM 0 HD2 LYS A 43 -23.316 -7.686 -13.087 1.00 23.45 H new ATOM 0 HD3 LYS A 43 -22.207 -7.480 -14.428 1.00 23.45 H new ATOM 0 HE2 LYS A 43 -23.961 -9.937 -14.300 1.00 31.42 H new ATOM 0 HE3 LYS A 43 -24.636 -8.417 -14.851 1.00 31.42 H new ATOM 0 HZ1 LYS A 43 -23.810 -9.729 -16.694 1.00 2.42 H new ATOM 0 HZ2 LYS A 43 -22.907 -8.298 -16.551 1.00 2.42 H new ATOM 0 HZ3 LYS A 43 -22.254 -9.771 -16.017 1.00 2.42 H new ATOM 662 N VAL A 44 -17.639 -9.246 -14.963 1.00 1.12 N ATOM 663 CA VAL A 44 -16.814 -9.267 -16.165 1.00 73.21 C ATOM 664 C VAL A 44 -16.144 -10.624 -16.347 1.00 64.14 C ATOM 665 O VAL A 44 -15.850 -11.037 -17.469 1.00 35.00 O ATOM 666 CB VAL A 44 -15.731 -8.173 -16.122 1.00 52.02 C ATOM 667 CG1 VAL A 44 -14.841 -8.255 -17.353 1.00 4.44 C ATOM 668 CG2 VAL A 44 -16.369 -6.797 -16.006 1.00 11.20 C ATOM 0 H VAL A 44 -17.423 -8.486 -14.317 1.00 1.12 H new ATOM 0 HA VAL A 44 -17.478 -9.077 -17.008 1.00 73.21 H new ATOM 0 HB VAL A 44 -15.109 -8.335 -15.242 1.00 52.02 H new ATOM 0 HG11 VAL A 44 -14.082 -7.474 -17.306 1.00 4.44 H new ATOM 0 HG12 VAL A 44 -14.357 -9.231 -17.387 1.00 4.44 H new ATOM 0 HG13 VAL A 44 -15.446 -8.118 -18.249 1.00 4.44 H new ATOM 0 HG21 VAL A 44 -15.589 -6.036 -15.977 1.00 11.20 H new ATOM 0 HG22 VAL A 44 -17.015 -6.622 -16.866 1.00 11.20 H new ATOM 0 HG23 VAL A 44 -16.960 -6.746 -15.092 1.00 11.20 H new ATOM 678 N MET A 45 -15.904 -11.313 -15.237 1.00 23.42 N ATOM 679 CA MET A 45 -15.269 -12.626 -15.274 1.00 44.44 C ATOM 680 C MET A 45 -15.980 -13.546 -16.262 1.00 3.44 C ATOM 681 O MET A 45 -15.355 -14.404 -16.885 1.00 41.33 O ATOM 682 CB MET A 45 -15.269 -13.256 -13.881 1.00 21.25 C ATOM 683 CG MET A 45 -14.723 -12.339 -12.798 1.00 54.43 C ATOM 684 SD MET A 45 -13.081 -11.705 -13.188 1.00 23.33 S ATOM 685 CE MET A 45 -12.287 -13.184 -13.814 1.00 34.11 C ATOM 0 H MET A 45 -16.139 -10.985 -14.300 1.00 23.42 H new ATOM 0 HA MET A 45 -14.239 -12.494 -15.604 1.00 44.44 H new ATOM 0 HB2 MET A 45 -16.288 -13.544 -13.622 1.00 21.25 H new ATOM 0 HB3 MET A 45 -14.675 -14.170 -13.905 1.00 21.25 H new ATOM 0 HG2 MET A 45 -15.407 -11.502 -12.657 1.00 54.43 H new ATOM 0 HG3 MET A 45 -14.684 -12.882 -11.854 1.00 54.43 H new ATOM 0 HE1 MET A 45 -11.240 -12.971 -14.032 1.00 34.11 H new ATOM 0 HE2 MET A 45 -12.348 -13.974 -13.066 1.00 34.11 H new ATOM 0 HE3 MET A 45 -12.789 -13.508 -14.726 1.00 34.11 H new ATOM 695 N ARG A 46 -17.289 -13.361 -16.398 1.00 22.31 N ATOM 696 CA ARG A 46 -18.084 -14.176 -17.308 1.00 74.02 C ATOM 697 C ARG A 46 -17.577 -14.043 -18.741 1.00 73.12 C ATOM 698 O ARG A 46 -17.430 -15.037 -19.452 1.00 41.54 O ATOM 699 CB ARG A 46 -19.557 -13.768 -17.237 1.00 51.01 C ATOM 700 CG ARG A 46 -20.195 -14.023 -15.881 1.00 71.34 C ATOM 701 CD ARG A 46 -21.702 -14.188 -15.997 1.00 73.43 C ATOM 702 NE ARG A 46 -22.269 -14.874 -14.839 1.00 4.45 N ATOM 703 CZ ARG A 46 -22.466 -14.288 -13.663 1.00 21.25 C ATOM 704 NH1 ARG A 46 -22.145 -13.013 -13.491 1.00 22.32 N ATOM 705 NH2 ARG A 46 -22.986 -14.978 -12.655 1.00 61.25 N ATOM 0 H ARG A 46 -17.821 -12.654 -15.890 1.00 22.31 H new ATOM 0 HA ARG A 46 -17.987 -15.218 -17.002 1.00 74.02 H new ATOM 0 HB2 ARG A 46 -19.644 -12.708 -17.476 1.00 51.01 H new ATOM 0 HB3 ARG A 46 -20.113 -14.313 -17.999 1.00 51.01 H new ATOM 0 HG2 ARG A 46 -19.763 -14.920 -15.437 1.00 71.34 H new ATOM 0 HG3 ARG A 46 -19.969 -13.194 -15.210 1.00 71.34 H new ATOM 0 HD2 ARG A 46 -22.167 -13.208 -16.101 1.00 73.43 H new ATOM 0 HD3 ARG A 46 -21.937 -14.749 -16.901 1.00 73.43 H new ATOM 0 HE ARG A 46 -22.528 -15.856 -14.938 1.00 4.45 H new ATOM 0 HH11 ARG A 46 -21.746 -12.479 -14.263 1.00 22.32 H new ATOM 0 HH12 ARG A 46 -22.298 -12.566 -12.587 1.00 22.32 H new ATOM 0 HH21 ARG A 46 -23.235 -15.959 -12.783 1.00 61.25 H new ATOM 0 HH22 ARG A 46 -23.137 -14.527 -11.753 1.00 61.25 H new ATOM 719 N MET A 47 -17.313 -12.809 -19.158 1.00 23.13 N ATOM 720 CA MET A 47 -16.822 -12.547 -20.505 1.00 44.35 C ATOM 721 C MET A 47 -15.455 -13.189 -20.721 1.00 3.35 C ATOM 722 O MET A 47 -15.102 -13.562 -21.840 1.00 41.43 O ATOM 723 CB MET A 47 -16.735 -11.040 -20.756 1.00 13.25 C ATOM 724 CG MET A 47 -18.030 -10.300 -20.460 1.00 3.30 C ATOM 725 SD MET A 47 -19.269 -10.525 -21.751 1.00 4.54 S ATOM 726 CE MET A 47 -20.730 -10.845 -20.765 1.00 65.33 C ATOM 0 H MET A 47 -17.431 -11.975 -18.582 1.00 23.13 H new ATOM 0 HA MET A 47 -17.526 -12.986 -21.212 1.00 44.35 H new ATOM 0 HB2 MET A 47 -15.938 -10.623 -20.140 1.00 13.25 H new ATOM 0 HB3 MET A 47 -16.457 -10.868 -21.796 1.00 13.25 H new ATOM 0 HG2 MET A 47 -18.434 -10.648 -19.509 1.00 3.30 H new ATOM 0 HG3 MET A 47 -17.819 -9.237 -20.346 1.00 3.30 H new ATOM 0 HE1 MET A 47 -21.585 -11.005 -21.422 1.00 65.33 H new ATOM 0 HE2 MET A 47 -20.570 -11.734 -20.155 1.00 65.33 H new ATOM 0 HE3 MET A 47 -20.926 -9.991 -20.117 1.00 65.33 H new ATOM 736 N LEU A 48 -14.689 -13.315 -19.642 1.00 40.53 N ATOM 737 CA LEU A 48 -13.360 -13.912 -19.713 1.00 42.53 C ATOM 738 C LEU A 48 -13.451 -15.427 -19.855 1.00 63.54 C ATOM 739 O LEU A 48 -12.538 -16.068 -20.375 1.00 71.32 O ATOM 740 CB LEU A 48 -12.551 -13.552 -18.466 1.00 23.42 C ATOM 741 CG LEU A 48 -12.327 -12.060 -18.217 1.00 71.33 C ATOM 742 CD1 LEU A 48 -11.660 -11.838 -16.869 1.00 0.31 C ATOM 743 CD2 LEU A 48 -11.491 -11.453 -19.335 1.00 14.14 C ATOM 0 H LEU A 48 -14.966 -13.012 -18.708 1.00 40.53 H new ATOM 0 HA LEU A 48 -12.856 -13.513 -20.593 1.00 42.53 H new ATOM 0 HB2 LEU A 48 -13.056 -13.973 -17.596 1.00 23.42 H new ATOM 0 HB3 LEU A 48 -11.578 -14.038 -18.536 1.00 23.42 H new ATOM 0 HG LEU A 48 -13.297 -11.563 -18.205 1.00 71.33 H new ATOM 0 HD11 LEU A 48 -11.509 -10.770 -16.709 1.00 0.31 H new ATOM 0 HD12 LEU A 48 -12.296 -12.237 -16.078 1.00 0.31 H new ATOM 0 HD13 LEU A 48 -10.697 -12.348 -16.851 1.00 0.31 H new ATOM 0 HD21 LEU A 48 -11.341 -10.391 -19.142 1.00 14.14 H new ATOM 0 HD22 LEU A 48 -10.524 -11.954 -19.379 1.00 14.14 H new ATOM 0 HD23 LEU A 48 -12.008 -11.579 -20.286 1.00 14.14 H new ATOM 755 N GLY A 49 -14.560 -15.995 -19.391 1.00 61.11 N ATOM 756 CA GLY A 49 -14.751 -17.431 -19.478 1.00 24.12 C ATOM 757 C GLY A 49 -14.778 -18.096 -18.116 1.00 2.43 C ATOM 758 O GLY A 49 -14.668 -19.317 -18.012 1.00 44.13 O ATOM 0 H GLY A 49 -15.330 -15.486 -18.956 1.00 61.11 H new ATOM 0 HA2 GLY A 49 -15.685 -17.639 -19.999 1.00 24.12 H new ATOM 0 HA3 GLY A 49 -13.949 -17.866 -20.075 1.00 24.12 H new ATOM 762 N GLN A 50 -14.923 -17.290 -17.069 1.00 12.13 N ATOM 763 CA GLN A 50 -14.962 -17.808 -15.706 1.00 42.12 C ATOM 764 C GLN A 50 -16.109 -17.184 -14.919 1.00 11.22 C ATOM 765 O GLN A 50 -16.517 -16.055 -15.187 1.00 42.43 O ATOM 766 CB GLN A 50 -13.634 -17.537 -14.997 1.00 42.42 C ATOM 767 CG GLN A 50 -12.462 -18.307 -15.584 1.00 32.31 C ATOM 768 CD GLN A 50 -11.124 -17.820 -15.064 1.00 51.13 C ATOM 769 OE1 GLN A 50 -10.216 -17.520 -15.840 1.00 1.12 O ATOM 770 NE2 GLN A 50 -10.995 -17.738 -13.745 1.00 72.02 N ATOM 0 H GLN A 50 -15.015 -16.277 -17.138 1.00 12.13 H new ATOM 0 HA GLN A 50 -15.125 -18.884 -15.758 1.00 42.12 H new ATOM 0 HB2 GLN A 50 -13.417 -16.470 -15.045 1.00 42.42 H new ATOM 0 HB3 GLN A 50 -13.736 -17.794 -13.943 1.00 42.42 H new ATOM 0 HG2 GLN A 50 -12.575 -19.366 -15.351 1.00 32.31 H new ATOM 0 HG3 GLN A 50 -12.480 -18.216 -16.670 1.00 32.31 H new ATOM 0 HE21 GLN A 50 -11.774 -17.997 -13.139 1.00 72.02 H new ATOM 0 HE22 GLN A 50 -10.117 -17.416 -13.337 1.00 72.02 H new ATOM 779 N ASN A 51 -16.626 -17.927 -13.946 1.00 23.23 N ATOM 780 CA ASN A 51 -17.727 -17.447 -13.119 1.00 52.44 C ATOM 781 C ASN A 51 -17.511 -17.818 -11.655 1.00 51.44 C ATOM 782 O ASN A 51 -18.274 -18.581 -11.063 1.00 72.25 O ATOM 783 CB ASN A 51 -19.054 -18.027 -13.614 1.00 2.13 C ATOM 784 CG ASN A 51 -19.018 -19.539 -13.725 1.00 1.10 C ATOM 785 OD1 ASN A 51 -19.429 -20.250 -12.808 1.00 1.22 O ATOM 786 ND2 ASN A 51 -18.524 -20.037 -14.852 1.00 71.44 N ATOM 0 H ASN A 51 -16.300 -18.864 -13.711 1.00 23.23 H new ATOM 0 HA ASN A 51 -17.761 -16.360 -13.198 1.00 52.44 H new ATOM 0 HB2 ASN A 51 -19.852 -17.734 -12.932 1.00 2.13 H new ATOM 0 HB3 ASN A 51 -19.294 -17.599 -14.588 1.00 2.13 H new ATOM 0 HD21 ASN A 51 -18.474 -21.047 -14.984 1.00 71.44 H new ATOM 0 HD22 ASN A 51 -18.195 -19.410 -15.586 1.00 71.44 H new ATOM 793 N PRO A 52 -16.446 -17.264 -11.056 1.00 34.42 N ATOM 794 CA PRO A 52 -16.105 -17.521 -9.653 1.00 73.45 C ATOM 795 C PRO A 52 -17.101 -16.887 -8.689 1.00 13.50 C ATOM 796 O PRO A 52 -18.185 -16.460 -9.090 1.00 3.41 O ATOM 797 CB PRO A 52 -14.726 -16.876 -9.500 1.00 11.52 C ATOM 798 CG PRO A 52 -14.684 -15.818 -10.548 1.00 60.13 C ATOM 799 CD PRO A 52 -15.494 -16.345 -11.701 1.00 22.04 C ATOM 0 HA PRO A 52 -16.121 -18.585 -9.417 1.00 73.45 H new ATOM 0 HB2 PRO A 52 -14.596 -16.452 -8.504 1.00 11.52 H new ATOM 0 HB3 PRO A 52 -13.929 -17.606 -9.643 1.00 11.52 H new ATOM 0 HG2 PRO A 52 -15.100 -14.882 -10.175 1.00 60.13 H new ATOM 0 HG3 PRO A 52 -13.658 -15.612 -10.854 1.00 60.13 H new ATOM 0 HD2 PRO A 52 -16.007 -15.543 -12.232 1.00 22.04 H new ATOM 0 HD3 PRO A 52 -14.868 -16.861 -12.429 1.00 22.04 H new ATOM 807 N THR A 53 -16.728 -16.827 -7.414 1.00 41.54 N ATOM 808 CA THR A 53 -17.589 -16.244 -6.392 1.00 64.35 C ATOM 809 C THR A 53 -17.258 -14.773 -6.168 1.00 73.22 C ATOM 810 O THR A 53 -16.151 -14.311 -6.445 1.00 71.44 O ATOM 811 CB THR A 53 -17.461 -16.997 -5.055 1.00 22.23 C ATOM 812 OG1 THR A 53 -18.759 -17.355 -4.568 1.00 60.20 O ATOM 813 CG2 THR A 53 -16.743 -16.144 -4.020 1.00 13.31 C ATOM 0 H THR A 53 -15.835 -17.175 -7.065 1.00 41.54 H new ATOM 0 HA THR A 53 -18.614 -16.332 -6.753 1.00 64.35 H new ATOM 0 HB THR A 53 -16.876 -17.901 -5.227 1.00 22.23 H new ATOM 0 HG1 THR A 53 -18.669 -17.835 -3.718 1.00 60.20 H new ATOM 0 HG21 THR A 53 -16.665 -16.697 -3.084 1.00 13.31 H new ATOM 0 HG22 THR A 53 -15.744 -15.898 -4.381 1.00 13.31 H new ATOM 0 HG23 THR A 53 -17.305 -15.225 -3.853 1.00 13.31 H new ATOM 821 N PRO A 54 -18.240 -14.017 -5.654 1.00 25.35 N ATOM 822 CA PRO A 54 -18.076 -12.587 -5.379 1.00 43.43 C ATOM 823 C PRO A 54 -17.129 -12.325 -4.213 1.00 42.42 C ATOM 824 O PRO A 54 -16.215 -11.506 -4.316 1.00 74.50 O ATOM 825 CB PRO A 54 -19.494 -12.128 -5.030 1.00 43.33 C ATOM 826 CG PRO A 54 -20.176 -13.353 -4.529 1.00 22.45 C ATOM 827 CD PRO A 54 -19.584 -14.501 -5.299 1.00 73.31 C ATOM 0 HA PRO A 54 -17.638 -12.057 -6.225 1.00 43.43 H new ATOM 0 HB2 PRO A 54 -19.481 -11.344 -4.273 1.00 43.33 H new ATOM 0 HB3 PRO A 54 -20.004 -11.720 -5.903 1.00 43.33 H new ATOM 0 HG2 PRO A 54 -20.017 -13.478 -3.458 1.00 22.45 H new ATOM 0 HG3 PRO A 54 -21.253 -13.292 -4.686 1.00 22.45 H new ATOM 0 HD2 PRO A 54 -19.538 -15.408 -4.696 1.00 73.31 H new ATOM 0 HD3 PRO A 54 -20.173 -14.737 -6.185 1.00 73.31 H new ATOM 835 N GLU A 55 -17.353 -13.025 -3.106 1.00 12.34 N ATOM 836 CA GLU A 55 -16.519 -12.866 -1.920 1.00 61.13 C ATOM 837 C GLU A 55 -15.039 -12.963 -2.280 1.00 0.52 C ATOM 838 O GLU A 55 -14.185 -12.412 -1.586 1.00 63.11 O ATOM 839 CB GLU A 55 -16.871 -13.927 -0.876 1.00 34.13 C ATOM 840 CG GLU A 55 -18.241 -13.732 -0.248 1.00 11.32 C ATOM 841 CD GLU A 55 -18.364 -14.404 1.106 1.00 42.02 C ATOM 842 OE1 GLU A 55 -18.351 -15.652 1.153 1.00 54.35 O ATOM 843 OE2 GLU A 55 -18.472 -13.681 2.119 1.00 62.42 O ATOM 0 H GLU A 55 -18.104 -13.707 -3.005 1.00 12.34 H new ATOM 0 HA GLU A 55 -16.710 -11.878 -1.502 1.00 61.13 H new ATOM 0 HB2 GLU A 55 -16.831 -14.911 -1.343 1.00 34.13 H new ATOM 0 HB3 GLU A 55 -16.116 -13.916 -0.090 1.00 34.13 H new ATOM 0 HG2 GLU A 55 -18.438 -12.665 -0.139 1.00 11.32 H new ATOM 0 HG3 GLU A 55 -19.003 -14.130 -0.918 1.00 11.32 H new ATOM 850 N GLU A 56 -14.745 -13.667 -3.368 1.00 51.45 N ATOM 851 CA GLU A 56 -13.369 -13.836 -3.819 1.00 63.31 C ATOM 852 C GLU A 56 -12.801 -12.519 -4.341 1.00 24.45 C ATOM 853 O GLU A 56 -11.695 -12.118 -3.973 1.00 75.14 O ATOM 854 CB GLU A 56 -13.294 -14.905 -4.912 1.00 14.31 C ATOM 855 CG GLU A 56 -12.828 -16.260 -4.407 1.00 75.14 C ATOM 856 CD GLU A 56 -13.018 -17.361 -5.433 1.00 2.11 C ATOM 857 OE1 GLU A 56 -13.898 -17.212 -6.306 1.00 73.22 O ATOM 858 OE2 GLU A 56 -12.287 -18.370 -5.362 1.00 65.53 O ATOM 0 H GLU A 56 -15.441 -14.129 -3.953 1.00 51.45 H new ATOM 0 HA GLU A 56 -12.772 -14.157 -2.966 1.00 63.31 H new ATOM 0 HB2 GLU A 56 -14.278 -15.015 -5.369 1.00 14.31 H new ATOM 0 HB3 GLU A 56 -12.616 -14.565 -5.695 1.00 14.31 H new ATOM 0 HG2 GLU A 56 -11.774 -16.200 -4.135 1.00 75.14 H new ATOM 0 HG3 GLU A 56 -13.377 -16.514 -3.500 1.00 75.14 H new ATOM 865 N LEU A 57 -13.564 -11.852 -5.199 1.00 5.32 N ATOM 866 CA LEU A 57 -13.137 -10.580 -5.772 1.00 53.23 C ATOM 867 C LEU A 57 -12.700 -9.609 -4.680 1.00 31.22 C ATOM 868 O LEU A 57 -11.583 -9.093 -4.707 1.00 14.33 O ATOM 869 CB LEU A 57 -14.270 -9.963 -6.594 1.00 75.34 C ATOM 870 CG LEU A 57 -14.546 -10.613 -7.951 1.00 3.10 C ATOM 871 CD1 LEU A 57 -13.244 -10.862 -8.697 1.00 74.23 C ATOM 872 CD2 LEU A 57 -15.318 -11.912 -7.773 1.00 52.13 C ATOM 0 H LEU A 57 -14.481 -12.170 -5.513 1.00 5.32 H new ATOM 0 HA LEU A 57 -12.285 -10.772 -6.424 1.00 53.23 H new ATOM 0 HB2 LEU A 57 -15.184 -10.002 -6.002 1.00 75.34 H new ATOM 0 HB3 LEU A 57 -14.041 -8.910 -6.758 1.00 75.34 H new ATOM 0 HG LEU A 57 -15.156 -9.930 -8.543 1.00 3.10 H new ATOM 0 HD11 LEU A 57 -13.459 -11.325 -9.660 1.00 74.23 H new ATOM 0 HD12 LEU A 57 -12.729 -9.915 -8.857 1.00 74.23 H new ATOM 0 HD13 LEU A 57 -12.609 -11.525 -8.110 1.00 74.23 H new ATOM 0 HD21 LEU A 57 -15.505 -12.360 -8.749 1.00 52.13 H new ATOM 0 HD22 LEU A 57 -14.734 -12.601 -7.163 1.00 52.13 H new ATOM 0 HD23 LEU A 57 -16.268 -11.706 -7.280 1.00 52.13 H new ATOM 884 N GLN A 58 -13.587 -9.368 -3.720 1.00 30.32 N ATOM 885 CA GLN A 58 -13.291 -8.461 -2.617 1.00 53.14 C ATOM 886 C GLN A 58 -12.113 -8.970 -1.794 1.00 61.41 C ATOM 887 O GLN A 58 -11.412 -8.191 -1.149 1.00 62.34 O ATOM 888 CB GLN A 58 -14.520 -8.295 -1.722 1.00 54.41 C ATOM 889 CG GLN A 58 -14.211 -7.658 -0.377 1.00 14.13 C ATOM 890 CD GLN A 58 -15.322 -6.745 0.106 1.00 64.42 C ATOM 891 OE1 GLN A 58 -16.255 -7.186 0.778 1.00 4.52 O ATOM 892 NE2 GLN A 58 -15.227 -5.466 -0.235 1.00 43.45 N ATOM 0 H GLN A 58 -14.516 -9.788 -3.684 1.00 30.32 H new ATOM 0 HA GLN A 58 -13.024 -7.492 -3.039 1.00 53.14 H new ATOM 0 HB2 GLN A 58 -15.259 -7.685 -2.242 1.00 54.41 H new ATOM 0 HB3 GLN A 58 -14.973 -9.272 -1.556 1.00 54.41 H new ATOM 0 HG2 GLN A 58 -14.043 -8.442 0.362 1.00 14.13 H new ATOM 0 HG3 GLN A 58 -13.285 -7.088 -0.453 1.00 14.13 H new ATOM 0 HE21 GLN A 58 -14.436 -5.144 -0.793 1.00 43.45 H new ATOM 0 HE22 GLN A 58 -15.945 -4.805 0.061 1.00 43.45 H new ATOM 901 N GLU A 59 -11.902 -10.283 -1.821 1.00 1.41 N ATOM 902 CA GLU A 59 -10.809 -10.895 -1.075 1.00 64.24 C ATOM 903 C GLU A 59 -9.460 -10.368 -1.556 1.00 3.41 C ATOM 904 O GLU A 59 -8.659 -9.869 -0.765 1.00 55.43 O ATOM 905 CB GLU A 59 -10.854 -12.418 -1.220 1.00 3.14 C ATOM 906 CG GLU A 59 -10.166 -13.157 -0.085 1.00 23.45 C ATOM 907 CD GLU A 59 -10.230 -14.664 -0.246 1.00 41.31 C ATOM 908 OE1 GLU A 59 -11.198 -15.154 -0.863 1.00 74.10 O ATOM 909 OE2 GLU A 59 -9.311 -15.352 0.245 1.00 64.13 O ATOM 0 H GLU A 59 -12.473 -10.942 -2.351 1.00 1.41 H new ATOM 0 HA GLU A 59 -10.929 -10.633 -0.024 1.00 64.24 H new ATOM 0 HB2 GLU A 59 -11.894 -12.739 -1.274 1.00 3.14 H new ATOM 0 HB3 GLU A 59 -10.385 -12.699 -2.163 1.00 3.14 H new ATOM 0 HG2 GLU A 59 -9.123 -12.845 -0.033 1.00 23.45 H new ATOM 0 HG3 GLU A 59 -10.630 -12.876 0.860 1.00 23.45 H new ATOM 916 N MET A 60 -9.215 -10.483 -2.857 1.00 55.41 N ATOM 917 CA MET A 60 -7.964 -10.017 -3.444 1.00 11.15 C ATOM 918 C MET A 60 -7.890 -8.493 -3.428 1.00 30.45 C ATOM 919 O MET A 60 -6.824 -7.917 -3.210 1.00 63.15 O ATOM 920 CB MET A 60 -7.826 -10.531 -4.878 1.00 3.12 C ATOM 921 CG MET A 60 -8.990 -10.146 -5.776 1.00 71.41 C ATOM 922 SD MET A 60 -8.804 -10.768 -7.458 1.00 74.33 S ATOM 923 CE MET A 60 -8.849 -12.536 -7.173 1.00 15.12 C ATOM 0 H MET A 60 -9.866 -10.895 -3.525 1.00 55.41 H new ATOM 0 HA MET A 60 -7.142 -10.409 -2.845 1.00 11.15 H new ATOM 0 HB2 MET A 60 -6.903 -10.142 -5.307 1.00 3.12 H new ATOM 0 HB3 MET A 60 -7.736 -11.617 -4.859 1.00 3.12 H new ATOM 0 HG2 MET A 60 -9.916 -10.533 -5.350 1.00 71.41 H new ATOM 0 HG3 MET A 60 -9.080 -9.060 -5.802 1.00 71.41 H new ATOM 0 HE1 MET A 60 -9.101 -13.048 -8.102 1.00 15.12 H new ATOM 0 HE2 MET A 60 -7.872 -12.874 -6.826 1.00 15.12 H new ATOM 0 HE3 MET A 60 -9.601 -12.764 -6.417 1.00 15.12 H new ATOM 933 N ILE A 61 -9.028 -7.848 -3.659 1.00 10.22 N ATOM 934 CA ILE A 61 -9.091 -6.392 -3.670 1.00 1.40 C ATOM 935 C ILE A 61 -8.771 -5.817 -2.294 1.00 51.02 C ATOM 936 O ILE A 61 -8.345 -4.668 -2.174 1.00 24.43 O ATOM 937 CB ILE A 61 -10.479 -5.891 -4.113 1.00 25.41 C ATOM 938 CG1 ILE A 61 -10.730 -6.250 -5.579 1.00 31.21 C ATOM 939 CG2 ILE A 61 -10.592 -4.389 -3.903 1.00 2.22 C ATOM 940 CD1 ILE A 61 -12.138 -5.947 -6.042 1.00 61.31 C ATOM 0 H ILE A 61 -9.919 -8.310 -3.841 1.00 10.22 H new ATOM 0 HA ILE A 61 -8.345 -6.050 -4.387 1.00 1.40 H new ATOM 0 HB ILE A 61 -11.238 -6.381 -3.503 1.00 25.41 H new ATOM 0 HG12 ILE A 61 -10.025 -5.703 -6.205 1.00 31.21 H new ATOM 0 HG13 ILE A 61 -10.529 -7.311 -5.725 1.00 31.21 H new ATOM 0 HG21 ILE A 61 -11.578 -4.050 -4.221 1.00 2.22 H new ATOM 0 HG22 ILE A 61 -10.452 -4.158 -2.847 1.00 2.22 H new ATOM 0 HG23 ILE A 61 -9.827 -3.881 -4.491 1.00 2.22 H new ATOM 0 HD11 ILE A 61 -12.244 -6.227 -7.090 1.00 61.31 H new ATOM 0 HD12 ILE A 61 -12.849 -6.514 -5.441 1.00 61.31 H new ATOM 0 HD13 ILE A 61 -12.337 -4.881 -5.929 1.00 61.31 H new ATOM 952 N ASP A 62 -8.978 -6.624 -1.260 1.00 13.15 N ATOM 953 CA ASP A 62 -8.709 -6.197 0.109 1.00 72.32 C ATOM 954 C ASP A 62 -7.218 -5.957 0.320 1.00 65.51 C ATOM 955 O ASP A 62 -6.813 -4.906 0.814 1.00 44.33 O ATOM 956 CB ASP A 62 -9.215 -7.245 1.101 1.00 34.13 C ATOM 957 CG ASP A 62 -8.956 -6.851 2.542 1.00 13.20 C ATOM 958 OD1 ASP A 62 -8.704 -5.654 2.793 1.00 64.02 O ATOM 959 OD2 ASP A 62 -9.005 -7.739 3.419 1.00 73.13 O ATOM 0 H ASP A 62 -9.331 -7.577 -1.343 1.00 13.15 H new ATOM 0 HA ASP A 62 -9.237 -5.259 0.282 1.00 72.32 H new ATOM 0 HB2 ASP A 62 -10.285 -7.393 0.955 1.00 34.13 H new ATOM 0 HB3 ASP A 62 -8.730 -8.199 0.896 1.00 34.13 H new ATOM 964 N GLU A 63 -6.406 -6.941 -0.057 1.00 10.22 N ATOM 965 CA GLU A 63 -4.959 -6.836 0.094 1.00 74.34 C ATOM 966 C GLU A 63 -4.379 -5.839 -0.905 1.00 71.44 C ATOM 967 O GLU A 63 -3.288 -5.306 -0.705 1.00 23.21 O ATOM 968 CB GLU A 63 -4.304 -8.206 -0.097 1.00 13.10 C ATOM 969 CG GLU A 63 -3.563 -8.702 1.133 1.00 60.41 C ATOM 970 CD GLU A 63 -2.060 -8.548 1.010 1.00 65.34 C ATOM 971 OE1 GLU A 63 -1.493 -9.042 0.012 1.00 20.21 O ATOM 972 OE2 GLU A 63 -1.450 -7.935 1.910 1.00 44.52 O ATOM 0 H GLU A 63 -6.725 -7.818 -0.468 1.00 10.22 H new ATOM 0 HA GLU A 63 -4.749 -6.478 1.102 1.00 74.34 H new ATOM 0 HB2 GLU A 63 -5.071 -8.932 -0.366 1.00 13.10 H new ATOM 0 HB3 GLU A 63 -3.608 -8.153 -0.934 1.00 13.10 H new ATOM 0 HG2 GLU A 63 -3.910 -8.153 2.008 1.00 60.41 H new ATOM 0 HG3 GLU A 63 -3.805 -9.752 1.299 1.00 60.41 H new ATOM 979 N VAL A 64 -5.117 -5.593 -1.983 1.00 52.21 N ATOM 980 CA VAL A 64 -4.677 -4.660 -3.014 1.00 34.20 C ATOM 981 C VAL A 64 -4.967 -3.219 -2.611 1.00 5.35 C ATOM 982 O VAL A 64 -4.071 -2.374 -2.604 1.00 13.41 O ATOM 983 CB VAL A 64 -5.361 -4.951 -4.363 1.00 34.20 C ATOM 984 CG1 VAL A 64 -4.964 -3.911 -5.399 1.00 4.11 C ATOM 985 CG2 VAL A 64 -5.017 -6.353 -4.843 1.00 45.12 C ATOM 0 H VAL A 64 -6.022 -6.027 -2.165 1.00 52.21 H new ATOM 0 HA VAL A 64 -3.601 -4.794 -3.124 1.00 34.20 H new ATOM 0 HB VAL A 64 -6.440 -4.894 -4.223 1.00 34.20 H new ATOM 0 HG11 VAL A 64 -5.457 -4.133 -6.345 1.00 4.11 H new ATOM 0 HG12 VAL A 64 -5.267 -2.922 -5.056 1.00 4.11 H new ATOM 0 HG13 VAL A 64 -3.883 -3.931 -5.539 1.00 4.11 H new ATOM 0 HG21 VAL A 64 -5.509 -6.542 -5.797 1.00 45.12 H new ATOM 0 HG22 VAL A 64 -3.938 -6.440 -4.967 1.00 45.12 H new ATOM 0 HG23 VAL A 64 -5.358 -7.083 -4.109 1.00 45.12 H new ATOM 995 N ASP A 65 -6.222 -2.945 -2.274 1.00 72.01 N ATOM 996 CA ASP A 65 -6.630 -1.605 -1.867 1.00 71.34 C ATOM 997 C ASP A 65 -5.928 -1.192 -0.578 1.00 12.43 C ATOM 998 O ASP A 65 -6.283 -1.651 0.507 1.00 10.33 O ATOM 999 CB ASP A 65 -8.147 -1.546 -1.679 1.00 22.11 C ATOM 1000 CG ASP A 65 -8.700 -0.147 -1.870 1.00 24.35 C ATOM 1001 OD1 ASP A 65 -7.917 0.820 -1.762 1.00 40.22 O ATOM 1002 OD2 ASP A 65 -9.915 -0.020 -2.127 1.00 22.22 O ATOM 0 H ASP A 65 -6.975 -3.633 -2.274 1.00 72.01 H new ATOM 0 HA ASP A 65 -6.342 -0.909 -2.655 1.00 71.34 H new ATOM 0 HB2 ASP A 65 -8.625 -2.222 -2.388 1.00 22.11 H new ATOM 0 HB3 ASP A 65 -8.400 -1.901 -0.680 1.00 22.11 H new ATOM 1007 N GLU A 66 -4.930 -0.323 -0.705 1.00 53.44 N ATOM 1008 CA GLU A 66 -4.178 0.151 0.450 1.00 22.34 C ATOM 1009 C GLU A 66 -5.036 1.063 1.322 1.00 33.32 C ATOM 1010 O GLU A 66 -4.891 1.088 2.544 1.00 23.14 O ATOM 1011 CB GLU A 66 -2.920 0.895 -0.002 1.00 51.50 C ATOM 1012 CG GLU A 66 -1.990 0.054 -0.860 1.00 0.13 C ATOM 1013 CD GLU A 66 -1.542 -1.216 -0.162 1.00 54.32 C ATOM 1014 OE1 GLU A 66 -1.430 -1.201 1.082 1.00 52.54 O ATOM 1015 OE2 GLU A 66 -1.304 -2.224 -0.859 1.00 53.12 O ATOM 0 H GLU A 66 -4.624 0.067 -1.596 1.00 53.44 H new ATOM 0 HA GLU A 66 -3.885 -0.717 1.041 1.00 22.34 H new ATOM 0 HB2 GLU A 66 -3.215 1.782 -0.563 1.00 51.50 H new ATOM 0 HB3 GLU A 66 -2.376 1.240 0.878 1.00 51.50 H new ATOM 0 HG2 GLU A 66 -2.495 -0.206 -1.790 1.00 0.13 H new ATOM 0 HG3 GLU A 66 -1.114 0.645 -1.128 1.00 0.13 H new ATOM 1022 N ASP A 67 -5.930 1.810 0.685 1.00 53.43 N ATOM 1023 CA ASP A 67 -6.813 2.724 1.401 1.00 70.02 C ATOM 1024 C ASP A 67 -8.176 2.084 1.644 1.00 72.13 C ATOM 1025 O ASP A 67 -9.012 2.633 2.360 1.00 32.43 O ATOM 1026 CB ASP A 67 -6.980 4.026 0.616 1.00 42.11 C ATOM 1027 CG ASP A 67 -7.223 3.785 -0.861 1.00 35.31 C ATOM 1028 OD1 ASP A 67 -8.330 3.325 -1.213 1.00 32.35 O ATOM 1029 OD2 ASP A 67 -6.308 4.057 -1.665 1.00 61.30 O ATOM 0 H ASP A 67 -6.063 1.801 -0.326 1.00 53.43 H new ATOM 0 HA ASP A 67 -6.359 2.947 2.366 1.00 70.02 H new ATOM 0 HB2 ASP A 67 -7.814 4.592 1.031 1.00 42.11 H new ATOM 0 HB3 ASP A 67 -6.087 4.638 0.739 1.00 42.11 H new ATOM 1034 N GLY A 68 -8.394 0.919 1.040 1.00 4.12 N ATOM 1035 CA GLY A 68 -9.657 0.224 1.202 1.00 13.14 C ATOM 1036 C GLY A 68 -10.849 1.108 0.893 1.00 50.14 C ATOM 1037 O GLY A 68 -11.797 1.180 1.674 1.00 32.33 O ATOM 0 H GLY A 68 -7.718 0.445 0.441 1.00 4.12 H new ATOM 0 HA2 GLY A 68 -9.675 -0.647 0.547 1.00 13.14 H new ATOM 0 HA3 GLY A 68 -9.737 -0.144 2.225 1.00 13.14 H new ATOM 1041 N SER A 69 -10.801 1.784 -0.251 1.00 1.54 N ATOM 1042 CA SER A 69 -11.883 2.673 -0.659 1.00 62.34 C ATOM 1043 C SER A 69 -13.066 1.875 -1.200 1.00 64.01 C ATOM 1044 O SER A 69 -14.133 2.427 -1.462 1.00 13.00 O ATOM 1045 CB SER A 69 -11.389 3.657 -1.721 1.00 50.31 C ATOM 1046 OG SER A 69 -10.502 3.026 -2.629 1.00 15.31 O ATOM 0 H SER A 69 -10.025 1.733 -0.911 1.00 1.54 H new ATOM 0 HA SER A 69 -12.213 3.231 0.218 1.00 62.34 H new ATOM 0 HB2 SER A 69 -12.240 4.067 -2.265 1.00 50.31 H new ATOM 0 HB3 SER A 69 -10.885 4.495 -1.239 1.00 50.31 H new ATOM 0 HG SER A 69 -9.583 3.307 -2.437 1.00 15.31 H new ATOM 1052 N GLY A 70 -12.866 0.571 -1.365 1.00 31.32 N ATOM 1053 CA GLY A 70 -13.924 -0.283 -1.874 1.00 23.04 C ATOM 1054 C GLY A 70 -13.709 -0.671 -3.323 1.00 23.20 C ATOM 1055 O GLY A 70 -14.406 -1.537 -3.852 1.00 73.04 O ATOM 0 H GLY A 70 -11.991 0.091 -1.155 1.00 31.32 H new ATOM 0 HA2 GLY A 70 -13.984 -1.185 -1.265 1.00 23.04 H new ATOM 0 HA3 GLY A 70 -14.880 0.231 -1.777 1.00 23.04 H new ATOM 1059 N THR A 71 -12.741 -0.028 -3.969 1.00 23.40 N ATOM 1060 CA THR A 71 -12.438 -0.309 -5.367 1.00 4.23 C ATOM 1061 C THR A 71 -10.941 -0.200 -5.637 1.00 73.42 C ATOM 1062 O THR A 71 -10.167 0.181 -4.759 1.00 34.31 O ATOM 1063 CB THR A 71 -13.189 0.652 -6.308 1.00 62.50 C ATOM 1064 OG1 THR A 71 -12.902 2.009 -5.953 1.00 74.05 O ATOM 1065 CG2 THR A 71 -14.689 0.411 -6.242 1.00 34.41 C ATOM 0 H THR A 71 -12.154 0.691 -3.546 1.00 23.40 H new ATOM 0 HA THR A 71 -12.767 -1.329 -5.564 1.00 4.23 H new ATOM 0 HB THR A 71 -12.852 0.465 -7.328 1.00 62.50 H new ATOM 0 HG1 THR A 71 -11.971 2.216 -6.179 1.00 74.05 H new ATOM 0 HG21 THR A 71 -15.198 1.101 -6.915 1.00 34.41 H new ATOM 0 HG22 THR A 71 -14.906 -0.614 -6.541 1.00 34.41 H new ATOM 0 HG23 THR A 71 -15.039 0.573 -5.223 1.00 34.41 H new ATOM 1073 N VAL A 72 -10.539 -0.537 -6.859 1.00 35.43 N ATOM 1074 CA VAL A 72 -9.135 -0.476 -7.246 1.00 31.04 C ATOM 1075 C VAL A 72 -8.857 0.746 -8.114 1.00 32.21 C ATOM 1076 O VAL A 72 -9.634 1.071 -9.012 1.00 43.50 O ATOM 1077 CB VAL A 72 -8.708 -1.743 -8.010 1.00 25.24 C ATOM 1078 CG1 VAL A 72 -8.846 -1.535 -9.510 1.00 12.41 C ATOM 1079 CG2 VAL A 72 -7.281 -2.128 -7.646 1.00 75.31 C ATOM 0 H VAL A 72 -11.166 -0.855 -7.598 1.00 35.43 H new ATOM 0 HA VAL A 72 -8.556 -0.403 -6.326 1.00 31.04 H new ATOM 0 HB VAL A 72 -9.367 -2.561 -7.719 1.00 25.24 H new ATOM 0 HG11 VAL A 72 -8.540 -2.441 -10.033 1.00 12.41 H new ATOM 0 HG12 VAL A 72 -9.885 -1.310 -9.752 1.00 12.41 H new ATOM 0 HG13 VAL A 72 -8.213 -0.704 -9.822 1.00 12.41 H new ATOM 0 HG21 VAL A 72 -6.995 -3.025 -8.195 1.00 75.31 H new ATOM 0 HG22 VAL A 72 -6.606 -1.313 -7.907 1.00 75.31 H new ATOM 0 HG23 VAL A 72 -7.218 -2.322 -6.575 1.00 75.31 H new ATOM 1089 N ASP A 73 -7.745 1.418 -7.841 1.00 4.25 N ATOM 1090 CA ASP A 73 -7.362 2.604 -8.598 1.00 14.30 C ATOM 1091 C ASP A 73 -6.232 2.286 -9.571 1.00 45.43 C ATOM 1092 O ASP A 73 -5.591 1.240 -9.474 1.00 25.30 O ATOM 1093 CB ASP A 73 -6.935 3.726 -7.649 1.00 75.45 C ATOM 1094 CG ASP A 73 -7.002 5.092 -8.302 1.00 1.51 C ATOM 1095 OD1 ASP A 73 -8.036 5.401 -8.931 1.00 31.51 O ATOM 1096 OD2 ASP A 73 -6.020 5.855 -8.183 1.00 20.51 O ATOM 0 H ASP A 73 -7.092 1.162 -7.100 1.00 4.25 H new ATOM 0 HA ASP A 73 -8.228 2.934 -9.171 1.00 14.30 H new ATOM 0 HB2 ASP A 73 -7.576 3.716 -6.767 1.00 75.45 H new ATOM 0 HB3 ASP A 73 -5.917 3.540 -7.306 1.00 75.45 H new ATOM 1101 N PHE A 74 -5.993 3.196 -10.510 1.00 63.13 N ATOM 1102 CA PHE A 74 -4.941 3.012 -11.503 1.00 64.30 C ATOM 1103 C PHE A 74 -3.614 2.668 -10.832 1.00 41.01 C ATOM 1104 O PHE A 74 -2.831 1.872 -11.351 1.00 52.14 O ATOM 1105 CB PHE A 74 -4.784 4.275 -12.351 1.00 43.44 C ATOM 1106 CG PHE A 74 -3.736 4.153 -13.421 1.00 13.10 C ATOM 1107 CD1 PHE A 74 -3.526 2.946 -14.068 1.00 42.22 C ATOM 1108 CD2 PHE A 74 -2.963 5.245 -13.779 1.00 45.14 C ATOM 1109 CE1 PHE A 74 -2.562 2.831 -15.052 1.00 71.11 C ATOM 1110 CE2 PHE A 74 -1.997 5.136 -14.763 1.00 75.10 C ATOM 1111 CZ PHE A 74 -1.798 3.927 -15.401 1.00 1.42 C ATOM 0 H PHE A 74 -6.514 4.068 -10.604 1.00 63.13 H new ATOM 0 HA PHE A 74 -5.227 2.182 -12.149 1.00 64.30 H new ATOM 0 HB2 PHE A 74 -5.741 4.512 -12.816 1.00 43.44 H new ATOM 0 HB3 PHE A 74 -4.531 5.111 -11.699 1.00 43.44 H new ATOM 0 HD1 PHE A 74 -4.122 2.086 -13.801 1.00 42.22 H new ATOM 0 HD2 PHE A 74 -3.116 6.193 -13.284 1.00 45.14 H new ATOM 0 HE1 PHE A 74 -2.406 1.884 -15.548 1.00 71.11 H new ATOM 0 HE2 PHE A 74 -1.399 5.994 -15.032 1.00 75.10 H new ATOM 0 HZ PHE A 74 -1.046 3.839 -16.171 1.00 1.42 H new ATOM 1121 N ASP A 75 -3.368 3.274 -9.676 1.00 12.21 N ATOM 1122 CA ASP A 75 -2.137 3.033 -8.933 1.00 20.04 C ATOM 1123 C ASP A 75 -2.043 1.575 -8.495 1.00 34.42 C ATOM 1124 O ASP A 75 -1.111 0.864 -8.868 1.00 21.10 O ATOM 1125 CB ASP A 75 -2.065 3.951 -7.711 1.00 74.41 C ATOM 1126 CG ASP A 75 -2.390 5.392 -8.050 1.00 43.22 C ATOM 1127 OD1 ASP A 75 -1.731 5.953 -8.952 1.00 32.35 O ATOM 1128 OD2 ASP A 75 -3.303 5.960 -7.415 1.00 25.21 O ATOM 0 H ASP A 75 -4.005 3.936 -9.233 1.00 12.21 H new ATOM 0 HA ASP A 75 -1.296 3.251 -9.592 1.00 20.04 H new ATOM 0 HB2 ASP A 75 -2.760 3.594 -6.951 1.00 74.41 H new ATOM 0 HB3 ASP A 75 -1.065 3.899 -7.279 1.00 74.41 H new ATOM 1133 N GLU A 76 -3.015 1.137 -7.701 1.00 34.24 N ATOM 1134 CA GLU A 76 -3.041 -0.236 -7.211 1.00 25.51 C ATOM 1135 C GLU A 76 -3.179 -1.224 -8.366 1.00 53.32 C ATOM 1136 O GLU A 76 -2.710 -2.359 -8.286 1.00 44.32 O ATOM 1137 CB GLU A 76 -4.192 -0.428 -6.221 1.00 42.53 C ATOM 1138 CG GLU A 76 -4.030 0.369 -4.938 1.00 2.32 C ATOM 1139 CD GLU A 76 -5.359 0.762 -4.323 1.00 32.31 C ATOM 1140 OE1 GLU A 76 -6.385 0.149 -4.688 1.00 4.13 O ATOM 1141 OE2 GLU A 76 -5.375 1.681 -3.478 1.00 25.22 O ATOM 0 H GLU A 76 -3.795 1.713 -7.383 1.00 34.24 H new ATOM 0 HA GLU A 76 -2.097 -0.429 -6.701 1.00 25.51 H new ATOM 0 HB2 GLU A 76 -5.126 -0.139 -6.703 1.00 42.53 H new ATOM 0 HB3 GLU A 76 -4.275 -1.486 -5.973 1.00 42.53 H new ATOM 0 HG2 GLU A 76 -3.461 -0.220 -4.218 1.00 2.32 H new ATOM 0 HG3 GLU A 76 -3.449 1.268 -5.144 1.00 2.32 H new ATOM 1148 N TRP A 77 -3.827 -0.783 -9.438 1.00 54.12 N ATOM 1149 CA TRP A 77 -4.029 -1.627 -10.610 1.00 61.42 C ATOM 1150 C TRP A 77 -2.706 -1.905 -11.315 1.00 23.52 C ATOM 1151 O TRP A 77 -2.487 -2.999 -11.838 1.00 54.12 O ATOM 1152 CB TRP A 77 -5.008 -0.964 -11.580 1.00 42.22 C ATOM 1153 CG TRP A 77 -5.625 -1.924 -12.552 1.00 24.35 C ATOM 1154 CD1 TRP A 77 -6.835 -2.545 -12.433 1.00 73.25 C ATOM 1155 CD2 TRP A 77 -5.059 -2.375 -13.787 1.00 54.45 C ATOM 1156 NE1 TRP A 77 -7.057 -3.354 -13.522 1.00 23.43 N ATOM 1157 CE2 TRP A 77 -5.983 -3.267 -14.367 1.00 44.32 C ATOM 1158 CE3 TRP A 77 -3.865 -2.110 -14.462 1.00 5.51 C ATOM 1159 CZ2 TRP A 77 -5.745 -3.894 -15.587 1.00 74.13 C ATOM 1160 CZ3 TRP A 77 -3.630 -2.733 -15.673 1.00 35.24 C ATOM 1161 CH2 TRP A 77 -4.567 -3.616 -16.226 1.00 33.33 C ATOM 0 H TRP A 77 -4.222 0.154 -9.520 1.00 54.12 H new ATOM 0 HA TRP A 77 -4.448 -2.576 -10.275 1.00 61.42 H new ATOM 0 HB2 TRP A 77 -5.799 -0.477 -11.010 1.00 42.22 H new ATOM 0 HB3 TRP A 77 -4.487 -0.183 -12.133 1.00 42.22 H new ATOM 0 HD1 TRP A 77 -7.517 -2.419 -11.605 1.00 73.25 H new ATOM 0 HE1 TRP A 77 -7.887 -3.926 -13.676 1.00 23.43 H new ATOM 0 HE3 TRP A 77 -3.138 -1.430 -14.044 1.00 5.51 H new ATOM 0 HZ2 TRP A 77 -6.465 -4.576 -16.014 1.00 74.13 H new ATOM 0 HZ3 TRP A 77 -2.709 -2.536 -16.202 1.00 35.24 H new ATOM 0 HH2 TRP A 77 -4.356 -4.086 -17.175 1.00 33.33 H new ATOM 1172 N LEU A 78 -1.825 -0.911 -11.325 1.00 13.22 N ATOM 1173 CA LEU A 78 -0.522 -1.049 -11.966 1.00 11.14 C ATOM 1174 C LEU A 78 0.361 -2.028 -11.198 1.00 52.04 C ATOM 1175 O LEU A 78 0.933 -2.950 -11.779 1.00 62.41 O ATOM 1176 CB LEU A 78 0.169 0.313 -12.060 1.00 32.43 C ATOM 1177 CG LEU A 78 -0.285 1.218 -13.206 1.00 23.43 C ATOM 1178 CD1 LEU A 78 -0.315 2.671 -12.758 1.00 61.24 C ATOM 1179 CD2 LEU A 78 0.627 1.048 -14.412 1.00 62.12 C ATOM 0 H LEU A 78 -1.989 -0.000 -10.896 1.00 13.22 H new ATOM 0 HA LEU A 78 -0.678 -1.440 -12.971 1.00 11.14 H new ATOM 0 HB2 LEU A 78 0.012 0.843 -11.121 1.00 32.43 H new ATOM 0 HB3 LEU A 78 1.242 0.148 -12.157 1.00 32.43 H new ATOM 0 HG LEU A 78 -1.295 0.928 -13.496 1.00 23.43 H new ATOM 0 HD11 LEU A 78 -0.640 3.300 -13.586 1.00 61.24 H new ATOM 0 HD12 LEU A 78 -1.009 2.781 -11.925 1.00 61.24 H new ATOM 0 HD13 LEU A 78 0.683 2.975 -12.442 1.00 61.24 H new ATOM 0 HD21 LEU A 78 0.289 1.699 -15.218 1.00 62.12 H new ATOM 0 HD22 LEU A 78 1.648 1.312 -14.136 1.00 62.12 H new ATOM 0 HD23 LEU A 78 0.598 0.011 -14.747 1.00 62.12 H new ATOM 1191 N VAL A 79 0.465 -1.822 -9.889 1.00 62.23 N ATOM 1192 CA VAL A 79 1.275 -2.688 -9.041 1.00 64.55 C ATOM 1193 C VAL A 79 0.745 -4.118 -9.051 1.00 5.14 C ATOM 1194 O VAL A 79 1.517 -5.077 -9.033 1.00 51.41 O ATOM 1195 CB VAL A 79 1.314 -2.176 -7.589 1.00 72.14 C ATOM 1196 CG1 VAL A 79 2.050 -0.847 -7.511 1.00 70.42 C ATOM 1197 CG2 VAL A 79 -0.096 -2.047 -7.033 1.00 31.41 C ATOM 0 H VAL A 79 -0.002 -1.063 -9.393 1.00 62.23 H new ATOM 0 HA VAL A 79 2.286 -2.675 -9.449 1.00 64.55 H new ATOM 0 HB VAL A 79 1.856 -2.900 -6.981 1.00 72.14 H new ATOM 0 HG11 VAL A 79 2.067 -0.501 -6.478 1.00 70.42 H new ATOM 0 HG12 VAL A 79 3.072 -0.975 -7.868 1.00 70.42 H new ATOM 0 HG13 VAL A 79 1.539 -0.111 -8.132 1.00 70.42 H new ATOM 0 HG21 VAL A 79 -0.050 -1.684 -6.006 1.00 31.41 H new ATOM 0 HG22 VAL A 79 -0.664 -1.344 -7.642 1.00 31.41 H new ATOM 0 HG23 VAL A 79 -0.585 -3.021 -7.052 1.00 31.41 H new ATOM 1207 N MET A 80 -0.576 -4.253 -9.079 1.00 13.05 N ATOM 1208 CA MET A 80 -1.210 -5.566 -9.092 1.00 22.42 C ATOM 1209 C MET A 80 -0.615 -6.446 -10.187 1.00 53.33 C ATOM 1210 O MET A 80 -0.269 -7.602 -9.948 1.00 73.21 O ATOM 1211 CB MET A 80 -2.719 -5.426 -9.297 1.00 74.23 C ATOM 1212 CG MET A 80 -3.446 -6.758 -9.395 1.00 43.13 C ATOM 1213 SD MET A 80 -5.207 -6.616 -9.039 1.00 34.12 S ATOM 1214 CE MET A 80 -5.603 -5.089 -9.887 1.00 63.14 C ATOM 0 H MET A 80 -1.229 -3.469 -9.093 1.00 13.05 H new ATOM 0 HA MET A 80 -1.025 -6.041 -8.128 1.00 22.42 H new ATOM 0 HB2 MET A 80 -3.138 -4.853 -8.470 1.00 74.23 H new ATOM 0 HB3 MET A 80 -2.902 -4.854 -10.206 1.00 74.23 H new ATOM 0 HG2 MET A 80 -3.314 -7.167 -10.397 1.00 43.13 H new ATOM 0 HG3 MET A 80 -2.995 -7.466 -8.700 1.00 43.13 H new ATOM 0 HE1 MET A 80 -6.671 -5.058 -10.100 1.00 63.14 H new ATOM 0 HE2 MET A 80 -5.334 -4.242 -9.256 1.00 63.14 H new ATOM 0 HE3 MET A 80 -5.045 -5.037 -10.822 1.00 63.14 H new ATOM 1224 N MET A 81 -0.500 -5.890 -11.389 1.00 0.41 N ATOM 1225 CA MET A 81 0.054 -6.624 -12.520 1.00 72.15 C ATOM 1226 C MET A 81 1.538 -6.908 -12.310 1.00 74.53 C ATOM 1227 O MET A 81 2.025 -7.989 -12.641 1.00 32.12 O ATOM 1228 CB MET A 81 -0.148 -5.835 -13.816 1.00 22.32 C ATOM 1229 CG MET A 81 -0.602 -6.693 -14.985 1.00 72.34 C ATOM 1230 SD MET A 81 -2.246 -7.392 -14.737 1.00 23.00 S ATOM 1231 CE MET A 81 -3.208 -5.906 -14.464 1.00 4.11 C ATOM 0 H MET A 81 -0.783 -4.934 -11.604 1.00 0.41 H new ATOM 0 HA MET A 81 -0.472 -7.575 -12.596 1.00 72.15 H new ATOM 0 HB2 MET A 81 -0.885 -5.051 -13.643 1.00 22.32 H new ATOM 0 HB3 MET A 81 0.787 -5.341 -14.080 1.00 22.32 H new ATOM 0 HG2 MET A 81 -0.601 -6.092 -15.894 1.00 72.34 H new ATOM 0 HG3 MET A 81 0.113 -7.501 -15.137 1.00 72.34 H new ATOM 0 HE1 MET A 81 -4.176 -6.004 -14.955 1.00 4.11 H new ATOM 0 HE2 MET A 81 -3.357 -5.760 -13.394 1.00 4.11 H new ATOM 0 HE3 MET A 81 -2.677 -5.048 -14.876 1.00 4.11 H new ATOM 1241 N ALA A 82 2.251 -5.932 -11.759 1.00 54.32 N ATOM 1242 CA ALA A 82 3.678 -6.078 -11.504 1.00 21.44 C ATOM 1243 C ALA A 82 3.961 -7.322 -10.668 1.00 22.12 C ATOM 1244 O ALA A 82 4.984 -7.983 -10.849 1.00 32.35 O ATOM 1245 CB ALA A 82 4.220 -4.838 -10.808 1.00 60.34 C ATOM 0 H ALA A 82 1.863 -5.031 -11.480 1.00 54.32 H new ATOM 0 HA ALA A 82 4.183 -6.193 -12.463 1.00 21.44 H new ATOM 0 HB1 ALA A 82 5.287 -4.961 -10.624 1.00 60.34 H new ATOM 0 HB2 ALA A 82 4.060 -3.966 -11.442 1.00 60.34 H new ATOM 0 HB3 ALA A 82 3.702 -4.698 -9.859 1.00 60.34 H new ATOM 1251 N ARG A 83 3.050 -7.634 -9.752 1.00 74.35 N ATOM 1252 CA ARG A 83 3.203 -8.798 -8.887 1.00 51.34 C ATOM 1253 C ARG A 83 3.022 -10.090 -9.678 1.00 35.54 C ATOM 1254 O ARG A 83 3.511 -11.148 -9.278 1.00 13.21 O ATOM 1255 CB ARG A 83 2.193 -8.743 -7.740 1.00 30.14 C ATOM 1256 CG ARG A 83 0.911 -9.510 -8.019 1.00 60.23 C ATOM 1257 CD ARG A 83 -0.265 -8.929 -7.250 1.00 51.14 C ATOM 1258 NE ARG A 83 -1.539 -9.486 -7.696 1.00 55.10 N ATOM 1259 CZ ARG A 83 -2.659 -9.421 -6.984 1.00 70.10 C ATOM 1260 NH1 ARG A 83 -2.661 -8.826 -5.799 1.00 75.11 N ATOM 1261 NH2 ARG A 83 -3.779 -9.952 -7.457 1.00 54.43 N ATOM 0 H ARG A 83 2.198 -7.097 -9.590 1.00 74.35 H new ATOM 0 HA ARG A 83 4.212 -8.784 -8.474 1.00 51.34 H new ATOM 0 HB2 ARG A 83 2.657 -9.144 -6.839 1.00 30.14 H new ATOM 0 HB3 ARG A 83 1.946 -7.701 -7.535 1.00 30.14 H new ATOM 0 HG2 ARG A 83 0.696 -9.485 -9.087 1.00 60.23 H new ATOM 0 HG3 ARG A 83 1.045 -10.556 -7.745 1.00 60.23 H new ATOM 0 HD2 ARG A 83 -0.136 -9.127 -6.186 1.00 51.14 H new ATOM 0 HD3 ARG A 83 -0.280 -7.846 -7.374 1.00 51.14 H new ATOM 0 HE ARG A 83 -1.571 -9.950 -8.604 1.00 55.10 H new ATOM 0 HH11 ARG A 83 -1.802 -8.417 -5.432 1.00 75.11 H new ATOM 0 HH12 ARG A 83 -3.522 -8.777 -5.254 1.00 75.11 H new ATOM 0 HH21 ARG A 83 -3.781 -10.411 -8.368 1.00 54.43 H new ATOM 0 HH22 ARG A 83 -4.638 -9.902 -6.910 1.00 54.43 H new ATOM 1275 N CYS A 84 2.316 -9.998 -10.799 1.00 52.11 N ATOM 1276 CA CYS A 84 2.068 -11.160 -11.645 1.00 25.31 C ATOM 1277 C CYS A 84 3.357 -11.632 -12.311 1.00 31.21 C ATOM 1278 O CYS A 84 3.430 -12.749 -12.822 1.00 74.14 O ATOM 1279 CB CYS A 84 1.022 -10.829 -12.709 1.00 54.14 C ATOM 1280 SG CYS A 84 -0.566 -10.282 -12.038 1.00 70.44 S ATOM 0 H CYS A 84 1.905 -9.130 -11.144 1.00 52.11 H new ATOM 0 HA CYS A 84 1.690 -11.964 -11.014 1.00 25.31 H new ATOM 0 HB2 CYS A 84 1.417 -10.050 -13.361 1.00 54.14 H new ATOM 0 HB3 CYS A 84 0.858 -11.711 -13.329 1.00 54.14 H new ATOM 0 HG CYS A 84 -0.380 -9.251 -11.269 1.00 70.44 H new ATOM 1286 N MET A 85 4.371 -10.773 -12.302 1.00 14.22 N ATOM 1287 CA MET A 85 5.656 -11.102 -12.906 1.00 25.12 C ATOM 1288 C MET A 85 6.416 -12.111 -12.050 1.00 44.14 C ATOM 1289 O MET A 85 7.267 -12.848 -12.549 1.00 43.45 O ATOM 1290 CB MET A 85 6.497 -9.837 -13.090 1.00 55.21 C ATOM 1291 CG MET A 85 6.181 -9.079 -14.370 1.00 25.33 C ATOM 1292 SD MET A 85 4.590 -8.235 -14.303 1.00 52.20 S ATOM 1293 CE MET A 85 3.820 -8.844 -15.801 1.00 62.12 C ATOM 0 H MET A 85 4.327 -9.844 -11.883 1.00 14.22 H new ATOM 0 HA MET A 85 5.466 -11.549 -13.882 1.00 25.12 H new ATOM 0 HB2 MET A 85 6.337 -9.177 -12.237 1.00 55.21 H new ATOM 0 HB3 MET A 85 7.553 -10.109 -13.089 1.00 55.21 H new ATOM 0 HG2 MET A 85 6.968 -8.348 -14.559 1.00 25.33 H new ATOM 0 HG3 MET A 85 6.184 -9.774 -15.209 1.00 25.33 H new ATOM 0 HE1 MET A 85 2.825 -8.410 -15.901 1.00 62.12 H new ATOM 0 HE2 MET A 85 4.426 -8.563 -16.662 1.00 62.12 H new ATOM 0 HE3 MET A 85 3.739 -9.930 -15.753 1.00 62.12 H new