USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 508 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 26 THR OG1 : rot -120:sc= 0.644 USER MOD Set 1.2: A 62 THR OG1 : rot 166:sc= 0.53 USER MOD Set 2.1: A 5 THR OG1 : rot -79:sc= 1.52 USER MOD Set 2.2: A 8 GLN : amide:sc= 0.89 K(o=2.4,f=1.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 21 THR OG1 : rot -13:sc= 1.08 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -141:sc= 0.589 (180deg=-0.29) USER MOD Single : A 36 MET CE :methyl 179:sc= -1.36 (180deg=-1.36) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0278) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 144:sc= 0 (180deg=-0.414) USER MOD Single : A 53 SER OG : rot 76:sc= 1.17 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.09) USER MOD Single : A 70 THR OG1 : rot 77:sc= 1.15 USER MOD Single : A 71 MET CE :methyl 167:sc= 0 (180deg=-0.174) USER MOD Single : A 72 MET CE :methyl -175:sc= 0 (180deg=-0.0329) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 5 15.554 17.992 -10.232 1.00 0.00 N ATOM 68 CA THR A 5 16.864 18.564 -10.509 1.00 0.00 C ATOM 69 C THR A 5 16.729 19.744 -11.475 1.00 0.00 C ATOM 70 O THR A 5 15.749 19.850 -12.216 1.00 0.00 O ATOM 71 CB THR A 5 17.790 17.498 -11.112 1.00 0.00 C ATOM 72 OG1 THR A 5 17.216 16.974 -12.292 1.00 0.00 O ATOM 73 CG2 THR A 5 18.073 16.363 -10.122 1.00 0.00 C ATOM 0 HA THR A 5 17.296 18.919 -9.573 1.00 0.00 H new ATOM 0 HB THR A 5 18.740 17.979 -11.347 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.531 16.313 -12.057 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.732 15.630 -10.588 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.553 16.768 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.136 15.882 -9.842 1.00 0.00 H new ATOM 81 N GLU A 6 17.744 20.612 -11.512 1.00 0.00 N ATOM 82 CA GLU A 6 17.811 21.679 -12.498 1.00 0.00 C ATOM 83 C GLU A 6 17.689 21.091 -13.909 1.00 0.00 C ATOM 84 O GLU A 6 16.971 21.627 -14.746 1.00 0.00 O ATOM 85 CB GLU A 6 19.118 22.464 -12.334 1.00 0.00 C ATOM 86 CG GLU A 6 19.207 23.139 -10.958 1.00 0.00 C ATOM 87 CD GLU A 6 20.475 23.977 -10.838 1.00 0.00 C ATOM 88 OE1 GLU A 6 20.446 25.119 -11.345 1.00 0.00 O ATOM 89 OE2 GLU A 6 21.448 23.457 -10.253 1.00 0.00 O ATOM 0 H GLU A 6 18.532 20.591 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 6 16.982 22.369 -12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.965 21.791 -12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 6 19.188 23.221 -13.116 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.333 23.772 -10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.194 22.380 -10.176 1.00 0.00 H new ATOM 96 N GLU A 7 18.367 19.967 -14.153 1.00 0.00 N ATOM 97 CA GLU A 7 18.282 19.226 -15.401 1.00 0.00 C ATOM 98 C GLU A 7 16.815 18.932 -15.733 1.00 0.00 C ATOM 99 O GLU A 7 16.341 19.301 -16.807 1.00 0.00 O ATOM 100 CB GLU A 7 19.105 17.931 -15.305 1.00 0.00 C ATOM 101 CG GLU A 7 20.628 18.166 -15.298 1.00 0.00 C ATOM 102 CD GLU A 7 21.156 18.910 -14.071 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.543 18.752 -12.992 1.00 0.00 O ATOM 104 OE2 GLU A 7 22.157 19.638 -14.237 1.00 0.00 O ATOM 0 H GLU A 7 18.999 19.544 -13.474 1.00 0.00 H new ATOM 0 HA GLU A 7 18.699 19.828 -16.209 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.824 17.399 -14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.849 17.285 -16.145 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.131 17.201 -15.365 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.899 18.729 -16.191 1.00 0.00 H new ATOM 111 N GLN A 8 16.086 18.293 -14.809 1.00 0.00 N ATOM 112 CA GLN A 8 14.663 18.049 -15.008 1.00 0.00 C ATOM 113 C GLN A 8 13.927 19.351 -15.326 1.00 0.00 C ATOM 114 O GLN A 8 13.194 19.398 -16.310 1.00 0.00 O ATOM 115 CB GLN A 8 14.042 17.361 -13.790 1.00 0.00 C ATOM 116 CG GLN A 8 14.469 15.894 -13.678 1.00 0.00 C ATOM 117 CD GLN A 8 14.195 15.404 -12.266 1.00 0.00 C ATOM 118 OE1 GLN A 8 15.086 15.435 -11.422 1.00 0.00 O ATOM 119 NE2 GLN A 8 12.956 15.034 -11.973 1.00 0.00 N ATOM 0 H GLN A 8 16.459 17.941 -13.927 1.00 0.00 H new ATOM 0 HA GLN A 8 14.558 17.379 -15.861 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.334 17.893 -12.885 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.956 17.418 -13.857 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.922 15.287 -14.400 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.528 15.792 -13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.242 15.021 -12.701 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.717 14.763 -11.019 1.00 0.00 H new ATOM 128 N LYS A 9 14.114 20.407 -14.527 1.00 0.00 N ATOM 129 CA LYS A 9 13.429 21.672 -14.777 1.00 0.00 C ATOM 130 C LYS A 9 13.692 22.175 -16.202 1.00 0.00 C ATOM 131 O LYS A 9 12.757 22.543 -16.911 1.00 0.00 O ATOM 132 CB LYS A 9 13.832 22.736 -13.748 1.00 0.00 C ATOM 133 CG LYS A 9 13.415 22.356 -12.323 1.00 0.00 C ATOM 134 CD LYS A 9 13.824 23.468 -11.351 1.00 0.00 C ATOM 135 CE LYS A 9 13.681 22.979 -9.907 1.00 0.00 C ATOM 136 NZ LYS A 9 13.965 24.056 -8.942 1.00 0.00 N ATOM 0 H LYS A 9 14.727 20.409 -13.712 1.00 0.00 H new ATOM 0 HA LYS A 9 12.360 21.488 -14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.912 22.880 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.375 23.689 -14.016 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.337 22.199 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.886 21.416 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.854 23.768 -11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.201 24.348 -11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.670 22.603 -9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.362 22.146 -9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.859 23.691 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.938 24.397 -9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.299 24.840 -9.091 1.00 0.00 H new ATOM 150 N GLN A 10 14.957 22.173 -16.632 1.00 0.00 N ATOM 151 CA GLN A 10 15.338 22.579 -17.977 1.00 0.00 C ATOM 152 C GLN A 10 14.621 21.727 -19.027 1.00 0.00 C ATOM 153 O GLN A 10 14.019 22.272 -19.949 1.00 0.00 O ATOM 154 CB GLN A 10 16.863 22.512 -18.146 1.00 0.00 C ATOM 155 CG GLN A 10 17.586 23.609 -17.352 1.00 0.00 C ATOM 156 CD GLN A 10 17.237 25.008 -17.845 1.00 0.00 C ATOM 157 OE1 GLN A 10 16.686 25.818 -17.108 1.00 0.00 O ATOM 158 NE2 GLN A 10 17.538 25.306 -19.106 1.00 0.00 N ATOM 0 H GLN A 10 15.745 21.888 -16.050 1.00 0.00 H new ATOM 0 HA GLN A 10 15.029 23.613 -18.127 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.220 21.535 -17.820 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.114 22.606 -19.203 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.325 23.523 -16.297 1.00 0.00 H new ATOM 0 HG3 GLN A 10 18.663 23.458 -17.427 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.997 24.614 -19.698 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.310 26.227 -19.481 1.00 0.00 H new ATOM 167 N GLU A 11 14.666 20.398 -18.897 1.00 0.00 N ATOM 168 CA GLU A 11 13.984 19.517 -19.840 1.00 0.00 C ATOM 169 C GLU A 11 12.480 19.813 -19.884 1.00 0.00 C ATOM 170 O GLU A 11 11.901 19.942 -20.961 1.00 0.00 O ATOM 171 CB GLU A 11 14.261 18.047 -19.494 1.00 0.00 C ATOM 172 CG GLU A 11 15.739 17.668 -19.680 1.00 0.00 C ATOM 173 CD GLU A 11 16.189 17.790 -21.132 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.841 16.878 -21.911 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.861 18.799 -21.438 1.00 0.00 O ATOM 0 H GLU A 11 15.166 19.914 -18.151 1.00 0.00 H new ATOM 0 HA GLU A 11 14.379 19.707 -20.838 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.968 17.859 -18.461 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.643 17.406 -20.123 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.358 18.311 -19.055 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.895 16.645 -19.338 1.00 0.00 H new ATOM 182 N ILE A 12 11.842 19.933 -18.717 1.00 0.00 N ATOM 183 CA ILE A 12 10.421 20.245 -18.621 1.00 0.00 C ATOM 184 C ILE A 12 10.146 21.598 -19.292 1.00 0.00 C ATOM 185 O ILE A 12 9.161 21.736 -20.014 1.00 0.00 O ATOM 186 CB ILE A 12 9.947 20.172 -17.153 1.00 0.00 C ATOM 187 CG1 ILE A 12 10.090 18.731 -16.622 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.475 20.591 -17.025 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.907 18.625 -15.105 1.00 0.00 C ATOM 0 H ILE A 12 12.300 19.816 -17.813 1.00 0.00 H new ATOM 0 HA ILE A 12 9.834 19.500 -19.159 1.00 0.00 H new ATOM 0 HB ILE A 12 10.568 20.854 -16.572 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.355 18.095 -17.115 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.075 18.348 -16.890 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.169 20.530 -15.981 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.356 21.615 -17.379 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.854 19.926 -17.625 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.020 17.586 -14.797 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.658 19.236 -14.604 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.912 18.978 -14.833 1.00 0.00 H new ATOM 201 N ARG A 13 11.011 22.596 -19.088 1.00 0.00 N ATOM 202 CA ARG A 13 10.873 23.889 -19.746 1.00 0.00 C ATOM 203 C ARG A 13 10.983 23.744 -21.267 1.00 0.00 C ATOM 204 O ARG A 13 10.151 24.277 -22.000 1.00 0.00 O ATOM 205 CB ARG A 13 11.882 24.899 -19.174 1.00 0.00 C ATOM 206 CG ARG A 13 11.723 26.302 -19.781 1.00 0.00 C ATOM 207 CD ARG A 13 10.441 27.018 -19.330 1.00 0.00 C ATOM 208 NE ARG A 13 9.942 27.924 -20.371 1.00 0.00 N ATOM 209 CZ ARG A 13 8.997 28.856 -20.181 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.477 29.056 -18.965 1.00 0.00 N ATOM 211 NH2 ARG A 13 8.566 29.577 -21.222 1.00 0.00 N ATOM 0 H ARG A 13 11.818 22.527 -18.467 1.00 0.00 H new ATOM 0 HA ARG A 13 9.877 24.283 -19.541 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.757 24.959 -18.093 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.894 24.540 -19.359 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.586 26.909 -19.506 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.723 26.222 -20.868 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.675 26.280 -19.089 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.638 27.582 -18.418 1.00 0.00 H new ATOM 0 HE ARG A 13 10.342 27.839 -21.305 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.799 28.498 -18.174 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.758 29.767 -18.828 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.956 29.416 -22.151 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.847 30.288 -21.087 1.00 0.00 H new ATOM 225 N GLU A 14 11.991 23.016 -21.753 1.00 0.00 N ATOM 226 CA GLU A 14 12.160 22.749 -23.172 1.00 0.00 C ATOM 227 C GLU A 14 10.872 22.139 -23.737 1.00 0.00 C ATOM 228 O GLU A 14 10.307 22.656 -24.701 1.00 0.00 O ATOM 229 CB GLU A 14 13.387 21.844 -23.364 1.00 0.00 C ATOM 230 CG GLU A 14 13.921 21.870 -24.800 1.00 0.00 C ATOM 231 CD GLU A 14 12.987 21.211 -25.814 1.00 0.00 C ATOM 232 OE1 GLU A 14 12.537 20.081 -25.522 1.00 0.00 O ATOM 233 OE2 GLU A 14 12.744 21.846 -26.862 1.00 0.00 O ATOM 0 H GLU A 14 12.712 22.596 -21.166 1.00 0.00 H new ATOM 0 HA GLU A 14 12.341 23.670 -23.726 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.176 22.159 -22.681 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.124 20.820 -23.097 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.092 22.905 -25.096 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.887 21.366 -24.828 1.00 0.00 H new ATOM 240 N ALA A 15 10.397 21.060 -23.109 1.00 0.00 N ATOM 241 CA ALA A 15 9.154 20.406 -23.488 1.00 0.00 C ATOM 242 C ALA A 15 8.004 21.415 -23.511 1.00 0.00 C ATOM 243 O ALA A 15 7.268 21.488 -24.490 1.00 0.00 O ATOM 244 CB ALA A 15 8.862 19.244 -22.535 1.00 0.00 C ATOM 0 H ALA A 15 10.870 20.618 -22.321 1.00 0.00 H new ATOM 0 HA ALA A 15 9.256 20.000 -24.494 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.930 18.760 -22.826 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.676 18.521 -22.583 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.772 19.622 -21.517 1.00 0.00 H new ATOM 250 N PHE A 16 7.860 22.206 -22.446 1.00 0.00 N ATOM 251 CA PHE A 16 6.830 23.231 -22.343 1.00 0.00 C ATOM 252 C PHE A 16 6.855 24.158 -23.561 1.00 0.00 C ATOM 253 O PHE A 16 5.858 24.290 -24.274 1.00 0.00 O ATOM 254 CB PHE A 16 6.998 24.025 -21.041 1.00 0.00 C ATOM 255 CG PHE A 16 6.031 25.180 -20.881 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.714 24.935 -20.459 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.437 26.492 -21.185 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.808 25.997 -20.323 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.528 27.556 -21.055 1.00 0.00 C ATOM 260 CZ PHE A 16 4.223 27.310 -20.600 1.00 0.00 C ATOM 0 H PHE A 16 8.463 22.149 -21.625 1.00 0.00 H new ATOM 0 HA PHE A 16 5.857 22.741 -22.322 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.876 23.346 -20.197 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.016 24.411 -20.994 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.398 23.926 -20.239 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.447 26.682 -21.518 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.793 25.806 -20.006 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.833 28.561 -21.305 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.536 28.132 -20.463 1.00 0.00 H new ATOM 270 N ASP A 17 8.007 24.790 -23.799 1.00 0.00 N ATOM 271 CA ASP A 17 8.186 25.721 -24.905 1.00 0.00 C ATOM 272 C ASP A 17 7.860 25.040 -26.232 1.00 0.00 C ATOM 273 O ASP A 17 7.123 25.599 -27.038 1.00 0.00 O ATOM 274 CB ASP A 17 9.610 26.293 -24.915 1.00 0.00 C ATOM 275 CG ASP A 17 9.863 27.277 -23.775 1.00 0.00 C ATOM 276 OD1 ASP A 17 9.035 28.199 -23.612 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.894 27.112 -23.088 1.00 0.00 O ATOM 0 H ASP A 17 8.842 24.667 -23.226 1.00 0.00 H new ATOM 0 HA ASP A 17 7.495 26.553 -24.769 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.326 25.474 -24.847 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.788 26.794 -25.867 1.00 0.00 H new ATOM 282 N LEU A 18 8.392 23.834 -26.460 1.00 0.00 N ATOM 283 CA LEU A 18 8.100 23.072 -27.668 1.00 0.00 C ATOM 284 C LEU A 18 6.592 22.899 -27.830 1.00 0.00 C ATOM 285 O LEU A 18 6.042 23.213 -28.883 1.00 0.00 O ATOM 286 CB LEU A 18 8.837 21.725 -27.637 1.00 0.00 C ATOM 287 CG LEU A 18 8.597 20.885 -28.907 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.841 20.044 -29.204 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.403 19.925 -28.775 1.00 0.00 C ATOM 0 H LEU A 18 9.030 23.367 -25.816 1.00 0.00 H new ATOM 0 HA LEU A 18 8.461 23.620 -28.538 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.906 21.903 -27.521 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.512 21.158 -26.765 1.00 0.00 H new ATOM 0 HG LEU A 18 8.382 21.590 -29.710 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.672 19.450 -30.102 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.696 20.702 -29.359 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.041 19.381 -28.362 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.285 19.362 -29.701 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.581 19.235 -27.950 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.496 20.497 -28.580 1.00 0.00 H new ATOM 301 N PHE A 19 5.923 22.378 -26.798 1.00 0.00 N ATOM 302 CA PHE A 19 4.494 22.123 -26.846 1.00 0.00 C ATOM 303 C PHE A 19 3.713 23.409 -27.098 1.00 0.00 C ATOM 304 O PHE A 19 2.737 23.383 -27.847 1.00 0.00 O ATOM 305 CB PHE A 19 4.021 21.426 -25.565 1.00 0.00 C ATOM 306 CG PHE A 19 4.573 20.033 -25.307 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.729 19.105 -26.359 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.765 19.606 -23.979 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.129 17.786 -26.089 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.122 18.273 -23.707 1.00 0.00 C ATOM 311 CZ PHE A 19 5.338 17.371 -24.764 1.00 0.00 C ATOM 0 H PHE A 19 6.361 22.124 -25.912 1.00 0.00 H new ATOM 0 HA PHE A 19 4.300 21.452 -27.683 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.281 22.059 -24.716 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.933 21.362 -25.593 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.540 19.411 -27.377 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.638 20.305 -23.166 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.276 17.090 -26.902 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.230 17.942 -22.685 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.664 16.362 -24.557 1.00 0.00 H new ATOM 321 N ASP A 20 4.134 24.538 -26.523 1.00 0.00 N ATOM 322 CA ASP A 20 3.577 25.838 -26.883 1.00 0.00 C ATOM 323 C ASP A 20 4.102 26.259 -28.263 1.00 0.00 C ATOM 324 O ASP A 20 4.750 27.294 -28.401 1.00 0.00 O ATOM 325 CB ASP A 20 3.894 26.876 -25.797 1.00 0.00 C ATOM 326 CG ASP A 20 3.270 28.246 -26.072 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.408 28.348 -26.975 1.00 0.00 O ATOM 328 OD2 ASP A 20 3.683 29.192 -25.368 1.00 0.00 O ATOM 0 H ASP A 20 4.859 24.575 -25.806 1.00 0.00 H new ATOM 0 HA ASP A 20 2.491 25.769 -26.947 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.536 26.507 -24.836 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.975 26.987 -25.714 1.00 0.00 H new ATOM 333 N THR A 21 3.787 25.472 -29.295 1.00 0.00 N ATOM 334 CA THR A 21 4.198 25.708 -30.673 1.00 0.00 C ATOM 335 C THR A 21 3.808 27.117 -31.133 1.00 0.00 C ATOM 336 O THR A 21 4.563 27.765 -31.854 1.00 0.00 O ATOM 337 CB THR A 21 3.595 24.631 -31.590 1.00 0.00 C ATOM 338 OG1 THR A 21 2.184 24.585 -31.477 1.00 0.00 O ATOM 339 CG2 THR A 21 4.151 23.235 -31.288 1.00 0.00 C ATOM 0 H THR A 21 3.222 24.629 -29.187 1.00 0.00 H new ATOM 0 HA THR A 21 5.284 25.641 -30.730 1.00 0.00 H new ATOM 0 HB THR A 21 3.876 24.913 -32.605 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.902 25.101 -30.693 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.695 22.509 -31.961 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.232 23.235 -31.432 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.922 22.967 -30.256 1.00 0.00 H new ATOM 377 N GLY A 25 3.025 31.792 -24.767 1.00 0.00 N ATOM 378 CA GLY A 25 3.523 31.934 -23.405 1.00 0.00 C ATOM 379 C GLY A 25 2.980 30.798 -22.535 1.00 0.00 C ATOM 380 O GLY A 25 3.611 30.404 -21.555 1.00 0.00 O ATOM 0 HA2 GLY A 25 4.613 31.917 -23.403 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.218 32.897 -22.995 1.00 0.00 H new ATOM 384 N THR A 26 1.806 30.281 -22.900 1.00 0.00 N ATOM 385 CA THR A 26 1.068 29.234 -22.223 1.00 0.00 C ATOM 386 C THR A 26 0.663 28.182 -23.263 1.00 0.00 C ATOM 387 O THR A 26 0.444 28.514 -24.427 1.00 0.00 O ATOM 388 CB THR A 26 -0.117 29.882 -21.501 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.918 30.581 -22.428 1.00 0.00 O ATOM 390 CG2 THR A 26 0.336 30.901 -20.450 1.00 0.00 C ATOM 0 H THR A 26 1.320 30.611 -23.734 1.00 0.00 H new ATOM 0 HA THR A 26 1.661 28.718 -21.467 1.00 0.00 H new ATOM 0 HB THR A 26 -0.666 29.075 -21.016 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.955 31.528 -22.179 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.538 31.335 -19.964 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.957 30.404 -19.705 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.912 31.690 -20.933 1.00 0.00 H new ATOM 398 N ILE A 27 0.601 26.906 -22.871 1.00 0.00 N ATOM 399 CA ILE A 27 0.212 25.818 -23.764 1.00 0.00 C ATOM 400 C ILE A 27 -1.308 25.855 -23.900 1.00 0.00 C ATOM 401 O ILE A 27 -1.994 25.704 -22.894 1.00 0.00 O ATOM 402 CB ILE A 27 0.681 24.474 -23.180 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.211 24.411 -23.215 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.112 23.279 -23.960 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.728 23.162 -22.510 1.00 0.00 C ATOM 0 H ILE A 27 0.820 26.601 -21.923 1.00 0.00 H new ATOM 0 HA ILE A 27 0.674 25.931 -24.745 1.00 0.00 H new ATOM 0 HB ILE A 27 0.316 24.413 -22.155 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.554 24.416 -24.250 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.625 25.299 -22.737 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.468 22.350 -23.514 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.977 23.305 -23.922 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.440 23.332 -24.998 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.817 23.145 -22.551 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.405 23.171 -21.469 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.333 22.275 -23.005 1.00 0.00 H new ATOM 417 N ASP A 28 -1.858 26.031 -25.104 1.00 0.00 N ATOM 418 CA ASP A 28 -3.302 25.922 -25.295 1.00 0.00 C ATOM 419 C ASP A 28 -3.765 24.491 -25.004 1.00 0.00 C ATOM 420 O ASP A 28 -3.052 23.548 -25.338 1.00 0.00 O ATOM 421 CB ASP A 28 -3.680 26.341 -26.719 1.00 0.00 C ATOM 422 CG ASP A 28 -5.191 26.289 -26.917 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.683 25.180 -27.221 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.829 27.347 -26.740 1.00 0.00 O ATOM 0 H ASP A 28 -1.331 26.247 -25.950 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.805 26.592 -24.598 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.318 27.350 -26.914 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.192 25.683 -27.438 1.00 0.00 H new ATOM 429 N ALA A 29 -4.961 24.313 -24.429 1.00 0.00 N ATOM 430 CA ALA A 29 -5.566 22.998 -24.214 1.00 0.00 C ATOM 431 C ALA A 29 -5.313 22.015 -25.369 1.00 0.00 C ATOM 432 O ALA A 29 -4.884 20.884 -25.141 1.00 0.00 O ATOM 433 CB ALA A 29 -7.069 23.170 -23.972 1.00 0.00 C ATOM 0 H ALA A 29 -5.539 25.086 -24.098 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.089 22.558 -23.338 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.526 22.193 -23.811 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.227 23.794 -23.092 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.525 23.645 -24.840 1.00 0.00 H new ATOM 439 N LYS A 30 -5.549 22.440 -26.616 1.00 0.00 N ATOM 440 CA LYS A 30 -5.327 21.596 -27.786 1.00 0.00 C ATOM 441 C LYS A 30 -3.847 21.213 -27.913 1.00 0.00 C ATOM 442 O LYS A 30 -3.528 20.056 -28.181 1.00 0.00 O ATOM 443 CB LYS A 30 -5.821 22.288 -29.067 1.00 0.00 C ATOM 444 CG LYS A 30 -7.345 22.239 -29.263 1.00 0.00 C ATOM 445 CD LYS A 30 -8.129 23.127 -28.287 1.00 0.00 C ATOM 446 CE LYS A 30 -9.617 23.140 -28.655 1.00 0.00 C ATOM 447 NZ LYS A 30 -10.385 24.004 -27.742 1.00 0.00 N ATOM 0 H LYS A 30 -5.897 23.373 -26.837 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.904 20.681 -27.652 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.502 23.330 -29.050 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.340 21.821 -29.927 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.580 22.543 -30.283 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.682 21.209 -29.152 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.003 22.759 -27.269 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.733 24.142 -28.310 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.738 23.491 -29.680 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.012 22.125 -28.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.388 23.993 -28.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.288 23.653 -26.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.022 24.977 -27.797 1.00 0.00 H new ATOM 461 N GLU A 31 -2.935 22.169 -27.709 1.00 0.00 N ATOM 462 CA GLU A 31 -1.507 21.890 -27.719 1.00 0.00 C ATOM 463 C GLU A 31 -1.165 20.871 -26.627 1.00 0.00 C ATOM 464 O GLU A 31 -0.361 19.972 -26.857 1.00 0.00 O ATOM 465 CB GLU A 31 -0.689 23.178 -27.545 1.00 0.00 C ATOM 466 CG GLU A 31 -0.782 24.131 -28.745 1.00 0.00 C ATOM 467 CD GLU A 31 0.018 25.410 -28.496 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.275 26.063 -27.468 1.00 0.00 O ATOM 469 OE2 GLU A 31 0.906 25.710 -29.327 1.00 0.00 O ATOM 0 H GLU A 31 -3.169 23.146 -27.535 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.245 21.465 -28.688 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.032 23.698 -26.651 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.356 22.916 -27.380 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.407 23.632 -29.639 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.826 24.382 -28.934 1.00 0.00 H new ATOM 476 N LEU A 32 -1.775 20.985 -25.441 1.00 0.00 N ATOM 477 CA LEU A 32 -1.561 19.992 -24.392 1.00 0.00 C ATOM 478 C LEU A 32 -2.072 18.619 -24.849 1.00 0.00 C ATOM 479 O LEU A 32 -1.411 17.607 -24.639 1.00 0.00 O ATOM 480 CB LEU A 32 -2.209 20.407 -23.062 1.00 0.00 C ATOM 481 CG LEU A 32 -1.575 19.644 -21.880 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.276 20.310 -21.401 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.575 19.527 -20.724 1.00 0.00 C ATOM 0 H LEU A 32 -2.410 21.743 -25.190 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.488 19.926 -24.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.089 21.480 -22.914 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.280 20.207 -23.097 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.320 18.645 -22.232 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.138 19.742 -20.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.444 20.333 -22.219 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.488 21.329 -21.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.114 18.986 -19.897 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.863 20.524 -20.390 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.460 18.987 -21.062 1.00 0.00 H new ATOM 495 N LYS A 33 -3.251 18.564 -25.466 1.00 0.00 N ATOM 496 CA LYS A 33 -3.796 17.319 -25.994 1.00 0.00 C ATOM 497 C LYS A 33 -2.828 16.687 -27.005 1.00 0.00 C ATOM 498 O LYS A 33 -2.502 15.505 -26.890 1.00 0.00 O ATOM 499 CB LYS A 33 -5.203 17.584 -26.542 1.00 0.00 C ATOM 500 CG LYS A 33 -5.977 16.298 -26.841 1.00 0.00 C ATOM 501 CD LYS A 33 -7.331 16.629 -27.487 1.00 0.00 C ATOM 502 CE LYS A 33 -8.161 15.364 -27.748 1.00 0.00 C ATOM 503 NZ LYS A 33 -8.682 14.779 -26.499 1.00 0.00 N ATOM 0 H LYS A 33 -3.850 19.376 -25.612 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.900 16.575 -25.204 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.762 18.179 -25.820 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.127 18.177 -27.454 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.395 15.661 -27.507 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.133 15.737 -25.920 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.889 17.303 -26.837 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.167 17.156 -28.427 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.993 15.606 -28.410 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.546 14.627 -28.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.631 13.742 -26.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.112 15.112 -25.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.671 15.070 -26.365 1.00 0.00 H new ATOM 517 N VAL A 34 -2.328 17.477 -27.962 1.00 0.00 N ATOM 518 CA VAL A 34 -1.275 17.042 -28.877 1.00 0.00 C ATOM 519 C VAL A 34 -0.072 16.510 -28.090 1.00 0.00 C ATOM 520 O VAL A 34 0.416 15.414 -28.367 1.00 0.00 O ATOM 521 CB VAL A 34 -0.877 18.193 -29.822 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.423 17.897 -30.586 1.00 0.00 C ATOM 523 CG2 VAL A 34 -2.002 18.456 -30.832 1.00 0.00 C ATOM 0 H VAL A 34 -2.644 18.434 -28.121 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.652 16.226 -29.493 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.711 19.073 -29.201 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.661 18.737 -31.238 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.236 17.747 -29.876 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.295 16.996 -31.187 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.712 19.271 -31.496 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.181 17.556 -31.420 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.913 18.729 -30.299 1.00 0.00 H new ATOM 533 N ALA A 35 0.408 17.284 -27.114 1.00 0.00 N ATOM 534 CA ALA A 35 1.538 16.904 -26.282 1.00 0.00 C ATOM 535 C ALA A 35 1.313 15.523 -25.671 1.00 0.00 C ATOM 536 O ALA A 35 2.149 14.640 -25.820 1.00 0.00 O ATOM 537 CB ALA A 35 1.777 17.955 -25.194 1.00 0.00 C ATOM 0 H ALA A 35 0.017 18.197 -26.882 1.00 0.00 H new ATOM 0 HA ALA A 35 2.430 16.854 -26.907 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.626 17.656 -24.580 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.987 18.918 -25.659 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.888 18.040 -24.568 1.00 0.00 H new ATOM 543 N MET A 36 0.178 15.324 -25.002 1.00 0.00 N ATOM 544 CA MET A 36 -0.168 14.059 -24.372 1.00 0.00 C ATOM 545 C MET A 36 -0.238 12.930 -25.401 1.00 0.00 C ATOM 546 O MET A 36 0.280 11.842 -25.149 1.00 0.00 O ATOM 547 CB MET A 36 -1.449 14.227 -23.553 1.00 0.00 C ATOM 548 CG MET A 36 -1.127 15.055 -22.299 1.00 0.00 C ATOM 549 SD MET A 36 -2.510 15.399 -21.189 1.00 0.00 S ATOM 550 CE MET A 36 -3.528 16.395 -22.288 1.00 0.00 C ATOM 0 H MET A 36 -0.532 16.047 -24.883 1.00 0.00 H new ATOM 0 HA MET A 36 0.618 13.765 -23.677 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.215 14.724 -24.148 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.847 13.253 -23.270 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.356 14.532 -21.733 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.699 16.006 -22.617 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.443 16.686 -21.772 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.978 17.289 -22.583 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.780 15.815 -23.176 1.00 0.00 H new ATOM 560 N ARG A 37 -0.838 13.182 -26.569 1.00 0.00 N ATOM 561 CA ARG A 37 -0.808 12.227 -27.671 1.00 0.00 C ATOM 562 C ARG A 37 0.646 11.804 -27.928 1.00 0.00 C ATOM 563 O ARG A 37 0.981 10.626 -27.818 1.00 0.00 O ATOM 564 CB ARG A 37 -1.467 12.846 -28.921 1.00 0.00 C ATOM 565 CG ARG A 37 -2.072 11.854 -29.925 1.00 0.00 C ATOM 566 CD ARG A 37 -1.105 10.761 -30.396 1.00 0.00 C ATOM 567 NE ARG A 37 -1.101 9.634 -29.453 1.00 0.00 N ATOM 568 CZ ARG A 37 -1.958 8.601 -29.460 1.00 0.00 C ATOM 569 NH1 ARG A 37 -2.795 8.399 -30.484 1.00 0.00 N ATOM 570 NH2 ARG A 37 -1.992 7.769 -28.419 1.00 0.00 N ATOM 0 H ARG A 37 -1.349 14.041 -26.771 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.379 11.334 -27.417 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.254 13.526 -28.593 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.721 13.448 -29.440 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.942 11.381 -29.470 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.428 12.407 -30.794 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.396 10.412 -31.387 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.099 11.171 -30.485 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.383 9.637 -28.729 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.790 9.037 -31.280 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.438 7.607 -30.469 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.370 7.920 -27.625 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.640 6.982 -28.416 1.00 0.00 H new ATOM 584 N ALA A 38 1.520 12.773 -28.226 1.00 0.00 N ATOM 585 CA ALA A 38 2.927 12.534 -28.536 1.00 0.00 C ATOM 586 C ALA A 38 3.657 11.811 -27.396 1.00 0.00 C ATOM 587 O ALA A 38 4.456 10.912 -27.641 1.00 0.00 O ATOM 588 CB ALA A 38 3.610 13.861 -28.874 1.00 0.00 C ATOM 0 H ALA A 38 1.261 13.759 -28.258 1.00 0.00 H new ATOM 0 HA ALA A 38 2.976 11.874 -29.402 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.660 13.681 -29.105 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.121 14.313 -29.737 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.537 14.536 -28.021 1.00 0.00 H new ATOM 594 N LEU A 39 3.376 12.200 -26.151 1.00 0.00 N ATOM 595 CA LEU A 39 3.911 11.578 -24.946 1.00 0.00 C ATOM 596 C LEU A 39 3.464 10.116 -24.814 1.00 0.00 C ATOM 597 O LEU A 39 4.054 9.376 -24.030 1.00 0.00 O ATOM 598 CB LEU A 39 3.472 12.378 -23.707 1.00 0.00 C ATOM 599 CG LEU A 39 4.164 13.742 -23.531 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.338 14.646 -22.597 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.570 13.564 -22.943 1.00 0.00 C ATOM 0 H LEU A 39 2.751 12.981 -25.951 1.00 0.00 H new ATOM 0 HA LEU A 39 4.998 11.585 -25.020 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.395 12.539 -23.760 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.661 11.775 -22.819 1.00 0.00 H new ATOM 0 HG LEU A 39 4.242 14.208 -24.513 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.840 15.607 -22.483 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.348 14.803 -23.025 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.240 14.169 -21.622 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.042 14.540 -22.827 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.499 13.077 -21.970 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.170 12.949 -23.614 1.00 0.00 H new ATOM 613 N GLY A 40 2.432 9.692 -25.552 1.00 0.00 N ATOM 614 CA GLY A 40 1.976 8.312 -25.582 1.00 0.00 C ATOM 615 C GLY A 40 0.795 8.071 -24.646 1.00 0.00 C ATOM 616 O GLY A 40 0.567 6.940 -24.223 1.00 0.00 O ATOM 0 H GLY A 40 1.887 10.312 -26.151 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.689 8.049 -26.600 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.799 7.654 -25.302 1.00 0.00 H new ATOM 620 N PHE A 41 0.025 9.118 -24.331 1.00 0.00 N ATOM 621 CA PHE A 41 -1.246 8.957 -23.634 1.00 0.00 C ATOM 622 C PHE A 41 -2.293 8.551 -24.673 1.00 0.00 C ATOM 623 O PHE A 41 -2.003 8.515 -25.867 1.00 0.00 O ATOM 624 CB PHE A 41 -1.654 10.277 -22.959 1.00 0.00 C ATOM 625 CG PHE A 41 -0.852 10.662 -21.726 1.00 0.00 C ATOM 626 CD1 PHE A 41 0.496 11.044 -21.847 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.462 10.665 -20.456 1.00 0.00 C ATOM 628 CE1 PHE A 41 1.233 11.417 -20.710 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.722 11.029 -19.316 1.00 0.00 C ATOM 630 CZ PHE A 41 0.626 11.406 -19.443 1.00 0.00 C ATOM 0 H PHE A 41 0.264 10.085 -24.550 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.161 8.197 -22.858 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.568 11.080 -23.691 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.706 10.211 -22.680 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.967 11.051 -22.819 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.501 10.387 -20.357 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.267 11.712 -20.810 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.190 11.019 -18.343 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.194 11.687 -18.568 1.00 0.00 H new ATOM 640 N GLU A 42 -3.523 8.288 -24.223 1.00 0.00 N ATOM 641 CA GLU A 42 -4.696 8.106 -25.068 1.00 0.00 C ATOM 642 C GLU A 42 -5.655 9.257 -24.739 1.00 0.00 C ATOM 643 O GLU A 42 -6.339 9.170 -23.721 1.00 0.00 O ATOM 644 CB GLU A 42 -5.342 6.744 -24.764 1.00 0.00 C ATOM 645 CG GLU A 42 -4.557 5.583 -25.394 1.00 0.00 C ATOM 646 CD GLU A 42 -4.732 5.536 -26.911 1.00 0.00 C ATOM 647 OE1 GLU A 42 -5.878 5.278 -27.338 1.00 0.00 O ATOM 648 OE2 GLU A 42 -3.729 5.772 -27.618 1.00 0.00 O ATOM 0 H GLU A 42 -3.731 8.194 -23.229 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.439 8.117 -26.127 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.397 6.601 -23.685 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.365 6.736 -25.139 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.499 5.687 -25.153 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.891 4.641 -24.960 1.00 0.00 H new ATOM 655 N PRO A 43 -5.677 10.345 -25.531 1.00 0.00 N ATOM 656 CA PRO A 43 -6.507 11.520 -25.289 1.00 0.00 C ATOM 657 C PRO A 43 -8.031 11.299 -25.274 1.00 0.00 C ATOM 658 O PRO A 43 -8.753 11.853 -26.102 1.00 0.00 O ATOM 659 CB PRO A 43 -6.090 12.537 -26.358 1.00 0.00 C ATOM 660 CG PRO A 43 -4.634 12.192 -26.629 1.00 0.00 C ATOM 661 CD PRO A 43 -4.647 10.667 -26.513 1.00 0.00 C ATOM 0 HA PRO A 43 -6.329 11.861 -24.269 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.698 12.445 -27.258 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.200 13.561 -26.002 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.312 12.524 -27.616 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.963 12.652 -25.903 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.868 10.205 -27.475 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.674 10.292 -26.195 1.00 0.00 H new ATOM 669 N LYS A 44 -8.545 10.564 -24.286 1.00 0.00 N ATOM 670 CA LYS A 44 -9.972 10.424 -24.052 1.00 0.00 C ATOM 671 C LYS A 44 -10.548 11.784 -23.641 1.00 0.00 C ATOM 672 O LYS A 44 -10.329 12.247 -22.521 1.00 0.00 O ATOM 673 CB LYS A 44 -10.231 9.349 -22.989 1.00 0.00 C ATOM 674 CG LYS A 44 -9.724 7.970 -23.433 1.00 0.00 C ATOM 675 CD LYS A 44 -10.090 6.916 -22.380 1.00 0.00 C ATOM 676 CE LYS A 44 -9.489 5.545 -22.713 1.00 0.00 C ATOM 677 NZ LYS A 44 -10.000 5.009 -23.988 1.00 0.00 N ATOM 0 H LYS A 44 -7.970 10.046 -23.622 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.472 10.101 -24.965 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.740 9.634 -22.058 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.300 9.293 -22.782 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.163 7.704 -24.395 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.643 7.998 -23.572 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.735 7.241 -21.402 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.175 6.831 -22.313 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.403 5.629 -22.765 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.717 4.845 -21.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.620 4.053 -24.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.039 4.968 -23.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.702 5.628 -24.769 1.00 0.00 H new ATOM 691 N LYS A 45 -11.259 12.428 -24.574 1.00 0.00 N ATOM 692 CA LYS A 45 -11.730 13.805 -24.480 1.00 0.00 C ATOM 693 C LYS A 45 -12.297 14.181 -23.107 1.00 0.00 C ATOM 694 O LYS A 45 -11.949 15.231 -22.572 1.00 0.00 O ATOM 695 CB LYS A 45 -12.703 14.105 -25.632 1.00 0.00 C ATOM 696 CG LYS A 45 -13.954 13.214 -25.646 1.00 0.00 C ATOM 697 CD LYS A 45 -14.779 13.483 -26.911 1.00 0.00 C ATOM 698 CE LYS A 45 -16.033 12.601 -26.922 1.00 0.00 C ATOM 699 NZ LYS A 45 -16.847 12.842 -28.126 1.00 0.00 N ATOM 0 H LYS A 45 -11.530 11.981 -25.450 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.858 14.451 -24.586 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.014 15.148 -25.568 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.176 13.987 -26.579 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.663 12.164 -25.609 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.558 13.409 -24.760 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.064 14.534 -26.951 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.176 13.282 -27.797 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.742 11.551 -26.881 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.629 12.801 -26.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.688 12.231 -28.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.144 13.838 -28.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.285 12.627 -28.974 1.00 0.00 H new ATOM 713 N GLU A 46 -13.161 13.342 -22.527 1.00 0.00 N ATOM 714 CA GLU A 46 -13.766 13.627 -21.233 1.00 0.00 C ATOM 715 C GLU A 46 -12.683 13.780 -20.160 1.00 0.00 C ATOM 716 O GLU A 46 -12.588 14.815 -19.502 1.00 0.00 O ATOM 717 CB GLU A 46 -14.770 12.526 -20.859 1.00 0.00 C ATOM 718 CG GLU A 46 -15.968 12.492 -21.818 1.00 0.00 C ATOM 719 CD GLU A 46 -17.001 11.452 -21.390 1.00 0.00 C ATOM 720 OE1 GLU A 46 -17.445 11.539 -20.223 1.00 0.00 O ATOM 721 OE2 GLU A 46 -17.325 10.591 -22.236 1.00 0.00 O ATOM 0 H GLU A 46 -13.455 12.457 -22.940 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.310 14.570 -21.297 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.268 11.558 -20.871 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.125 12.689 -19.841 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.435 13.476 -21.853 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.621 12.268 -22.827 1.00 0.00 H new ATOM 728 N GLU A 47 -11.863 12.742 -19.991 1.00 0.00 N ATOM 729 CA GLU A 47 -10.797 12.707 -18.999 1.00 0.00 C ATOM 730 C GLU A 47 -9.830 13.868 -19.232 1.00 0.00 C ATOM 731 O GLU A 47 -9.452 14.557 -18.289 1.00 0.00 O ATOM 732 CB GLU A 47 -10.071 11.354 -19.048 1.00 0.00 C ATOM 733 CG GLU A 47 -10.913 10.199 -18.476 1.00 0.00 C ATOM 734 CD GLU A 47 -12.216 9.949 -19.231 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.168 9.990 -20.480 1.00 0.00 O ATOM 736 OE2 GLU A 47 -13.245 9.755 -18.548 1.00 0.00 O ATOM 0 H GLU A 47 -11.925 11.891 -20.550 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.226 12.819 -18.003 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.807 11.127 -20.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.138 11.428 -18.489 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.317 9.287 -18.489 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.145 10.414 -17.433 1.00 0.00 H new ATOM 743 N ILE A 48 -9.453 14.092 -20.492 1.00 0.00 N ATOM 744 CA ILE A 48 -8.614 15.214 -20.895 1.00 0.00 C ATOM 745 C ILE A 48 -9.216 16.530 -20.395 1.00 0.00 C ATOM 746 O ILE A 48 -8.558 17.262 -19.660 1.00 0.00 O ATOM 747 CB ILE A 48 -8.429 15.174 -22.423 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.569 13.966 -22.833 1.00 0.00 C ATOM 749 CG2 ILE A 48 -7.856 16.480 -22.992 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.068 14.201 -22.648 1.00 0.00 C ATOM 0 H ILE A 48 -9.727 13.490 -21.268 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.626 15.140 -20.441 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.422 15.062 -22.858 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.869 13.099 -22.245 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.766 13.726 -23.878 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.749 16.390 -24.073 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.531 17.304 -22.762 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.881 16.674 -22.546 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.520 13.311 -22.956 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.755 15.049 -23.257 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.859 14.411 -21.599 1.00 0.00 H new ATOM 762 N LYS A 49 -10.458 16.838 -20.777 1.00 0.00 N ATOM 763 CA LYS A 49 -11.108 18.082 -20.382 1.00 0.00 C ATOM 764 C LYS A 49 -11.167 18.213 -18.859 1.00 0.00 C ATOM 765 O LYS A 49 -10.830 19.268 -18.320 1.00 0.00 O ATOM 766 CB LYS A 49 -12.508 18.172 -21.005 1.00 0.00 C ATOM 767 CG LYS A 49 -12.474 18.413 -22.522 1.00 0.00 C ATOM 768 CD LYS A 49 -12.111 19.863 -22.870 1.00 0.00 C ATOM 769 CE LYS A 49 -12.201 20.087 -24.383 1.00 0.00 C ATOM 770 NZ LYS A 49 -11.861 21.474 -24.740 1.00 0.00 N ATOM 0 H LYS A 49 -11.034 16.235 -21.364 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.514 18.916 -20.757 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.051 17.249 -20.801 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.062 18.980 -20.526 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.750 17.739 -22.979 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.448 18.171 -22.949 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.784 20.547 -22.354 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.102 20.086 -22.522 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.526 19.402 -24.895 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.209 19.857 -24.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.931 21.594 -25.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.521 22.125 -24.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.890 21.684 -24.432 1.00 0.00 H new ATOM 784 N LYS A 50 -11.590 17.153 -18.164 1.00 0.00 N ATOM 785 CA LYS A 50 -11.653 17.145 -16.708 1.00 0.00 C ATOM 786 C LYS A 50 -10.284 17.502 -16.120 1.00 0.00 C ATOM 787 O LYS A 50 -10.160 18.481 -15.384 1.00 0.00 O ATOM 788 CB LYS A 50 -12.148 15.778 -16.215 1.00 0.00 C ATOM 789 CG LYS A 50 -13.628 15.561 -16.560 1.00 0.00 C ATOM 790 CD LYS A 50 -14.008 14.084 -16.398 1.00 0.00 C ATOM 791 CE LYS A 50 -15.459 13.851 -16.830 1.00 0.00 C ATOM 792 NZ LYS A 50 -15.808 12.420 -16.790 1.00 0.00 N ATOM 0 H LYS A 50 -11.896 16.282 -18.597 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.363 17.899 -16.368 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.548 14.988 -16.666 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.010 15.707 -15.136 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.252 16.176 -15.912 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.819 15.881 -17.584 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.341 13.463 -16.996 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.879 13.781 -15.359 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.129 14.409 -16.176 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.606 14.235 -17.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.797 12.295 -17.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.184 11.892 -17.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.691 12.061 -15.821 1.00 0.00 H new ATOM 806 N MET A 51 -9.252 16.724 -16.458 1.00 0.00 N ATOM 807 CA MET A 51 -7.911 16.928 -15.943 1.00 0.00 C ATOM 808 C MET A 51 -7.430 18.349 -16.244 1.00 0.00 C ATOM 809 O MET A 51 -7.000 19.058 -15.336 1.00 0.00 O ATOM 810 CB MET A 51 -6.977 15.873 -16.542 1.00 0.00 C ATOM 811 CG MET A 51 -5.640 15.876 -15.800 1.00 0.00 C ATOM 812 SD MET A 51 -4.394 14.722 -16.423 1.00 0.00 S ATOM 813 CE MET A 51 -4.037 15.464 -18.028 1.00 0.00 C ATOM 0 H MET A 51 -9.332 15.935 -17.099 1.00 0.00 H new ATOM 0 HA MET A 51 -7.911 16.814 -14.859 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.438 14.887 -16.474 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.815 16.077 -17.600 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.227 16.884 -15.838 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.827 15.648 -14.751 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.978 15.346 -18.256 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.631 14.970 -18.797 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.287 16.525 -18.002 1.00 0.00 H new ATOM 823 N ILE A 52 -7.512 18.767 -17.512 1.00 0.00 N ATOM 824 CA ILE A 52 -7.151 20.115 -17.928 1.00 0.00 C ATOM 825 C ILE A 52 -7.840 21.129 -17.020 1.00 0.00 C ATOM 826 O ILE A 52 -7.171 21.991 -16.465 1.00 0.00 O ATOM 827 CB ILE A 52 -7.463 20.327 -19.427 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.386 19.599 -20.252 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.512 21.815 -19.816 1.00 0.00 C ATOM 830 CD1 ILE A 52 -6.632 19.652 -21.762 1.00 0.00 C ATOM 0 H ILE A 52 -7.832 18.173 -18.277 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.076 20.263 -17.822 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.453 19.920 -19.633 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.413 20.041 -20.035 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.341 18.557 -19.936 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.735 21.906 -20.879 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.288 22.317 -19.238 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.548 22.278 -19.606 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.834 19.119 -22.280 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.589 19.184 -21.991 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.648 20.691 -22.092 1.00 0.00 H new ATOM 842 N SER A 53 -9.156 21.015 -16.833 1.00 0.00 N ATOM 843 CA SER A 53 -9.889 21.935 -15.974 1.00 0.00 C ATOM 844 C SER A 53 -9.326 21.942 -14.551 1.00 0.00 C ATOM 845 O SER A 53 -9.046 23.009 -14.012 1.00 0.00 O ATOM 846 CB SER A 53 -11.385 21.609 -15.988 1.00 0.00 C ATOM 847 OG SER A 53 -11.870 21.627 -17.317 1.00 0.00 O ATOM 0 H SER A 53 -9.732 20.294 -17.266 1.00 0.00 H new ATOM 0 HA SER A 53 -9.762 22.942 -16.371 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.557 20.629 -15.542 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.930 22.334 -15.383 1.00 0.00 H new ATOM 0 HG SER A 53 -11.588 20.810 -17.779 1.00 0.00 H new ATOM 853 N GLU A 54 -9.139 20.764 -13.948 1.00 0.00 N ATOM 854 CA GLU A 54 -8.585 20.670 -12.601 1.00 0.00 C ATOM 855 C GLU A 54 -7.214 21.352 -12.509 1.00 0.00 C ATOM 856 O GLU A 54 -6.941 22.061 -11.545 1.00 0.00 O ATOM 857 CB GLU A 54 -8.503 19.204 -12.150 1.00 0.00 C ATOM 858 CG GLU A 54 -9.884 18.546 -11.994 1.00 0.00 C ATOM 859 CD GLU A 54 -10.740 19.233 -10.935 1.00 0.00 C ATOM 860 OE1 GLU A 54 -10.333 19.175 -9.755 1.00 0.00 O ATOM 861 OE2 GLU A 54 -11.778 19.810 -11.326 1.00 0.00 O ATOM 0 H GLU A 54 -9.364 19.865 -14.374 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.258 21.198 -11.926 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.917 18.639 -12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.972 19.151 -11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.405 18.571 -12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.755 17.497 -11.729 1.00 0.00 H new ATOM 868 N ILE A 55 -6.344 21.137 -13.498 1.00 0.00 N ATOM 869 CA ILE A 55 -5.012 21.735 -13.520 1.00 0.00 C ATOM 870 C ILE A 55 -5.099 23.245 -13.804 1.00 0.00 C ATOM 871 O ILE A 55 -4.295 24.025 -13.292 1.00 0.00 O ATOM 872 CB ILE A 55 -4.146 20.996 -14.564 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.928 19.508 -14.219 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.789 21.675 -14.793 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.064 19.250 -12.979 1.00 0.00 C ATOM 0 H ILE A 55 -6.545 20.544 -14.304 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.540 21.627 -12.543 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.719 21.050 -15.489 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.901 19.039 -14.070 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.465 19.016 -15.075 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.222 21.114 -15.536 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.947 22.693 -15.150 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.233 21.702 -13.856 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.969 18.176 -12.819 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.075 19.684 -13.128 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.533 19.707 -12.107 1.00 0.00 H new ATOM 887 N ASP A 56 -6.057 23.669 -14.632 1.00 0.00 N ATOM 888 CA ASP A 56 -6.123 25.023 -15.155 1.00 0.00 C ATOM 889 C ASP A 56 -6.698 26.001 -14.124 1.00 0.00 C ATOM 890 O ASP A 56 -7.808 26.505 -14.281 1.00 0.00 O ATOM 891 CB ASP A 56 -6.927 25.024 -16.461 1.00 0.00 C ATOM 892 CG ASP A 56 -6.938 26.392 -17.123 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.135 27.242 -16.687 1.00 0.00 O ATOM 894 OD2 ASP A 56 -7.752 26.569 -18.056 1.00 0.00 O ATOM 0 H ASP A 56 -6.815 23.069 -14.958 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.112 25.370 -15.369 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.503 24.292 -17.148 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.951 24.712 -16.256 1.00 0.00 H new ATOM 899 N LYS A 57 -5.918 26.297 -13.085 1.00 0.00 N ATOM 900 CA LYS A 57 -6.281 27.271 -12.064 1.00 0.00 C ATOM 901 C LYS A 57 -6.357 28.695 -12.634 1.00 0.00 C ATOM 902 O LYS A 57 -7.283 29.441 -12.331 1.00 0.00 O ATOM 903 CB LYS A 57 -5.258 27.232 -10.918 1.00 0.00 C ATOM 904 CG LYS A 57 -5.049 25.851 -10.280 1.00 0.00 C ATOM 905 CD LYS A 57 -6.357 25.240 -9.758 1.00 0.00 C ATOM 906 CE LYS A 57 -6.084 24.071 -8.805 1.00 0.00 C ATOM 907 NZ LYS A 57 -5.307 23.002 -9.455 1.00 0.00 N ATOM 0 H LYS A 57 -5.009 25.862 -12.930 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.270 27.004 -11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.300 27.590 -11.294 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.577 27.929 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.605 25.179 -11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.339 25.938 -9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.938 26.005 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.960 24.894 -10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.542 24.434 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.030 23.666 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.231 22.188 -8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.786 22.708 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.355 23.354 -9.682 1.00 0.00 H new ATOM 951 N GLY A 61 -7.984 28.230 -20.277 1.00 0.00 N ATOM 952 CA GLY A 61 -7.980 27.667 -21.622 1.00 0.00 C ATOM 953 C GLY A 61 -6.563 27.286 -22.049 1.00 0.00 C ATOM 954 O GLY A 61 -6.383 26.337 -22.817 1.00 0.00 O ATOM 0 HA2 GLY A 61 -8.623 26.787 -21.654 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.394 28.390 -22.325 1.00 0.00 H new ATOM 958 N THR A 62 -5.559 28.010 -21.544 1.00 0.00 N ATOM 959 CA THR A 62 -4.168 27.624 -21.693 1.00 0.00 C ATOM 960 C THR A 62 -3.684 27.018 -20.374 1.00 0.00 C ATOM 961 O THR A 62 -4.429 26.978 -19.396 1.00 0.00 O ATOM 962 CB THR A 62 -3.317 28.814 -22.170 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.182 29.802 -21.168 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.915 29.486 -23.413 1.00 0.00 C ATOM 0 H THR A 62 -5.696 28.876 -21.023 1.00 0.00 H new ATOM 0 HA THR A 62 -4.063 26.864 -22.467 1.00 0.00 H new ATOM 0 HB THR A 62 -2.340 28.395 -22.411 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.468 30.425 -21.417 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.282 30.321 -23.715 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.973 28.762 -24.226 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.915 29.854 -23.182 1.00 0.00 H new ATOM 972 N ILE A 63 -2.444 26.530 -20.359 1.00 0.00 N ATOM 973 CA ILE A 63 -1.756 25.989 -19.203 1.00 0.00 C ATOM 974 C ILE A 63 -0.410 26.712 -19.129 1.00 0.00 C ATOM 975 O ILE A 63 0.376 26.639 -20.076 1.00 0.00 O ATOM 976 CB ILE A 63 -1.588 24.466 -19.368 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.929 23.731 -19.553 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.806 23.857 -18.199 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.842 23.752 -18.322 1.00 0.00 C ATOM 0 H ILE A 63 -1.868 26.503 -21.201 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.312 26.143 -18.278 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.014 24.327 -20.284 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.461 24.179 -20.392 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.726 22.694 -19.821 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.707 22.782 -18.349 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.184 24.309 -18.149 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.339 24.046 -17.267 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.763 23.212 -18.542 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.334 23.276 -17.484 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.080 24.784 -18.063 1.00 0.00 H new ATOM 991 N ASP A 64 -0.149 27.447 -18.043 1.00 0.00 N ATOM 992 CA ASP A 64 1.128 28.129 -17.852 1.00 0.00 C ATOM 993 C ASP A 64 2.215 27.153 -17.414 1.00 0.00 C ATOM 994 O ASP A 64 1.945 26.004 -17.065 1.00 0.00 O ATOM 995 CB ASP A 64 1.008 29.312 -16.877 1.00 0.00 C ATOM 996 CG ASP A 64 0.597 28.913 -15.467 1.00 0.00 C ATOM 997 OD1 ASP A 64 1.392 28.186 -14.838 1.00 0.00 O ATOM 998 OD2 ASP A 64 -0.495 29.341 -15.039 1.00 0.00 O ATOM 0 H ASP A 64 -0.812 27.583 -17.280 1.00 0.00 H new ATOM 0 HA ASP A 64 1.421 28.541 -18.818 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.965 29.831 -16.832 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.279 30.021 -17.270 1.00 0.00 H new ATOM 1003 N PHE A 65 3.460 27.634 -17.413 1.00 0.00 N ATOM 1004 CA PHE A 65 4.609 26.823 -17.048 1.00 0.00 C ATOM 1005 C PHE A 65 4.476 26.263 -15.634 1.00 0.00 C ATOM 1006 O PHE A 65 4.876 25.128 -15.393 1.00 0.00 O ATOM 1007 CB PHE A 65 5.906 27.625 -17.214 1.00 0.00 C ATOM 1008 CG PHE A 65 7.164 26.851 -16.857 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.414 25.602 -17.455 1.00 0.00 C ATOM 1010 CD2 PHE A 65 8.054 27.345 -15.882 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.532 24.843 -17.071 1.00 0.00 C ATOM 1012 CE2 PHE A 65 9.191 26.599 -15.523 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.431 25.348 -16.117 1.00 0.00 C ATOM 0 H PHE A 65 3.693 28.594 -17.665 1.00 0.00 H new ATOM 0 HA PHE A 65 4.648 25.970 -17.725 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.982 27.963 -18.247 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.852 28.517 -16.590 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.743 25.225 -18.213 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.863 28.297 -15.410 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.700 23.871 -17.510 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.881 26.988 -14.789 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.305 24.776 -15.841 1.00 0.00 H new ATOM 1023 N GLU A 66 3.899 27.025 -14.699 1.00 0.00 N ATOM 1024 CA GLU A 66 3.806 26.562 -13.317 1.00 0.00 C ATOM 1025 C GLU A 66 2.815 25.398 -13.228 1.00 0.00 C ATOM 1026 O GLU A 66 3.130 24.340 -12.685 1.00 0.00 O ATOM 1027 CB GLU A 66 3.438 27.716 -12.371 1.00 0.00 C ATOM 1028 CG GLU A 66 4.444 28.872 -12.476 1.00 0.00 C ATOM 1029 CD GLU A 66 4.124 29.979 -11.478 1.00 0.00 C ATOM 1030 OE1 GLU A 66 3.289 30.839 -11.835 1.00 0.00 O ATOM 1031 OE2 GLU A 66 4.710 29.939 -10.375 1.00 0.00 O ATOM 0 H GLU A 66 3.498 27.947 -14.872 1.00 0.00 H new ATOM 0 HA GLU A 66 4.781 26.197 -12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.438 28.079 -12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.407 27.351 -11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.452 28.497 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.431 29.277 -13.488 1.00 0.00 H new ATOM 1038 N GLU A 67 1.621 25.588 -13.794 1.00 0.00 N ATOM 1039 CA GLU A 67 0.599 24.556 -13.901 1.00 0.00 C ATOM 1040 C GLU A 67 1.182 23.312 -14.582 1.00 0.00 C ATOM 1041 O GLU A 67 1.056 22.200 -14.069 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.594 25.103 -14.696 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.355 26.214 -13.950 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.379 26.913 -14.846 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.072 27.082 -16.044 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.445 27.297 -14.319 1.00 0.00 O ATOM 0 H GLU A 67 1.337 26.481 -14.197 1.00 0.00 H new ATOM 0 HA GLU A 67 0.258 24.272 -12.906 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.240 25.491 -15.651 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.281 24.286 -14.919 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.863 25.787 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.644 26.948 -13.572 1.00 0.00 H new ATOM 1053 N PHE A 68 1.837 23.508 -15.730 1.00 0.00 N ATOM 1054 CA PHE A 68 2.463 22.428 -16.479 1.00 0.00 C ATOM 1055 C PHE A 68 3.468 21.676 -15.607 1.00 0.00 C ATOM 1056 O PHE A 68 3.371 20.462 -15.459 1.00 0.00 O ATOM 1057 CB PHE A 68 3.135 22.983 -17.739 1.00 0.00 C ATOM 1058 CG PHE A 68 3.796 21.915 -18.587 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.006 21.051 -19.367 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.197 21.791 -18.605 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.615 20.072 -20.171 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.805 20.845 -19.447 1.00 0.00 C ATOM 1063 CZ PHE A 68 5.016 19.970 -20.209 1.00 0.00 C ATOM 0 H PHE A 68 1.945 24.425 -16.163 1.00 0.00 H new ATOM 0 HA PHE A 68 1.692 21.720 -16.783 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.390 23.504 -18.340 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.883 23.721 -17.448 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.930 21.140 -19.348 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.804 22.422 -17.973 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.007 19.400 -20.758 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.882 20.791 -19.508 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.486 19.218 -20.825 1.00 0.00 H new ATOM 1073 N LEU A 69 4.428 22.395 -15.021 1.00 0.00 N ATOM 1074 CA LEU A 69 5.439 21.825 -14.144 1.00 0.00 C ATOM 1075 C LEU A 69 4.774 21.014 -13.032 1.00 0.00 C ATOM 1076 O LEU A 69 5.169 19.877 -12.776 1.00 0.00 O ATOM 1077 CB LEU A 69 6.327 22.953 -13.593 1.00 0.00 C ATOM 1078 CG LEU A 69 7.392 22.498 -12.579 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.363 21.473 -13.175 1.00 0.00 C ATOM 1080 CD2 LEU A 69 8.183 23.725 -12.111 1.00 0.00 C ATOM 0 H LEU A 69 4.521 23.403 -15.148 1.00 0.00 H new ATOM 0 HA LEU A 69 6.077 21.139 -14.701 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.827 23.444 -14.428 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.690 23.700 -13.119 1.00 0.00 H new ATOM 0 HG LEU A 69 6.878 22.019 -11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.095 21.184 -12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.809 20.592 -13.499 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.877 21.913 -14.029 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.941 23.416 -11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.666 24.195 -12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.505 24.437 -11.640 1.00 0.00 H new ATOM 1092 N THR A 70 3.750 21.581 -12.388 1.00 0.00 N ATOM 1093 CA THR A 70 2.998 20.892 -11.349 1.00 0.00 C ATOM 1094 C THR A 70 2.433 19.574 -11.886 1.00 0.00 C ATOM 1095 O THR A 70 2.650 18.524 -11.282 1.00 0.00 O ATOM 1096 CB THR A 70 1.902 21.807 -10.779 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.477 23.022 -10.343 1.00 0.00 O ATOM 1098 CG2 THR A 70 1.204 21.164 -9.577 1.00 0.00 C ATOM 0 H THR A 70 3.424 22.529 -12.576 1.00 0.00 H new ATOM 0 HA THR A 70 3.669 20.646 -10.526 1.00 0.00 H new ATOM 0 HB THR A 70 1.174 21.977 -11.572 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.669 23.590 -11.118 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.435 21.838 -9.199 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.744 20.224 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.935 20.971 -8.792 1.00 0.00 H new ATOM 1106 N MET A 71 1.727 19.614 -13.023 1.00 0.00 N ATOM 1107 CA MET A 71 1.176 18.414 -13.638 1.00 0.00 C ATOM 1108 C MET A 71 2.286 17.388 -13.877 1.00 0.00 C ATOM 1109 O MET A 71 2.194 16.254 -13.412 1.00 0.00 O ATOM 1110 CB MET A 71 0.459 18.760 -14.950 1.00 0.00 C ATOM 1111 CG MET A 71 -0.288 17.535 -15.503 1.00 0.00 C ATOM 1112 SD MET A 71 -0.921 17.674 -17.194 1.00 0.00 S ATOM 1113 CE MET A 71 0.620 17.742 -18.137 1.00 0.00 C ATOM 0 H MET A 71 1.526 20.474 -13.534 1.00 0.00 H new ATOM 0 HA MET A 71 0.443 17.978 -12.960 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.245 19.575 -14.781 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.184 19.112 -15.684 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.383 16.677 -15.459 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.126 17.319 -14.841 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.405 17.596 -19.196 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.092 18.714 -17.993 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.293 16.957 -17.792 1.00 0.00 H new ATOM 1123 N MET A 72 3.326 17.774 -14.617 1.00 0.00 N ATOM 1124 CA MET A 72 4.423 16.883 -14.963 1.00 0.00 C ATOM 1125 C MET A 72 5.019 16.261 -13.700 1.00 0.00 C ATOM 1126 O MET A 72 5.236 15.053 -13.654 1.00 0.00 O ATOM 1127 CB MET A 72 5.481 17.630 -15.788 1.00 0.00 C ATOM 1128 CG MET A 72 4.966 18.052 -17.175 1.00 0.00 C ATOM 1129 SD MET A 72 4.372 16.747 -18.287 1.00 0.00 S ATOM 1130 CE MET A 72 5.869 15.759 -18.487 1.00 0.00 C ATOM 0 H MET A 72 3.427 18.717 -14.992 1.00 0.00 H new ATOM 0 HA MET A 72 4.042 16.070 -15.581 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.804 18.515 -15.240 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.357 16.993 -15.909 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.153 18.764 -17.029 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.769 18.586 -17.683 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.688 14.968 -19.215 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.681 16.396 -18.837 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.143 15.315 -17.530 1.00 0.00 H new