USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 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 36 MET CE :methyl 173:sc= -0.11 (180deg=-0.155) USER MOD Set 1.2: A 51 MET CE :methyl 171:sc= -0.0016 (180deg=-0.104) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.511 USER MOD Single : A 8 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.24) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0489) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 21 THR OG1 : rot 0:sc= 0.893 USER MOD Single : A 26 THR OG1 : rot 36:sc= 0.604 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0579) USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= -0.133 (180deg=-0.973) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0374) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0432) USER MOD Single : A 53 SER OG : rot 76:sc= 1.06 USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 1.07 (180deg=1.06) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 72:sc= 1.07 USER MOD Single : A 71 MET CE :methyl -119:sc= -0.0721 (180deg=-0.157) USER MOD Single : A 72 MET CE :methyl 177:sc= -0.0304 (180deg=-0.0548) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 5 15.191 17.917 -9.679 1.00 0.00 N ATOM 68 CA THR A 5 16.457 18.623 -9.771 1.00 0.00 C ATOM 69 C THR A 5 16.313 19.824 -10.708 1.00 0.00 C ATOM 70 O THR A 5 15.362 19.907 -11.490 1.00 0.00 O ATOM 71 CB THR A 5 17.539 17.667 -10.290 1.00 0.00 C ATOM 72 OG1 THR A 5 17.192 17.209 -11.584 1.00 0.00 O ATOM 73 CG2 THR A 5 17.728 16.469 -9.352 1.00 0.00 C ATOM 0 HA THR A 5 16.747 18.984 -8.784 1.00 0.00 H new ATOM 0 HB THR A 5 18.480 18.215 -10.331 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.886 16.600 -11.913 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.502 15.813 -9.751 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.026 16.823 -8.365 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.791 15.918 -9.272 1.00 0.00 H new ATOM 81 N GLU A 6 17.290 20.733 -10.680 1.00 0.00 N ATOM 82 CA GLU A 6 17.353 21.807 -11.658 1.00 0.00 C ATOM 83 C GLU A 6 17.317 21.217 -13.068 1.00 0.00 C ATOM 84 O GLU A 6 16.578 21.694 -13.919 1.00 0.00 O ATOM 85 CB GLU A 6 18.604 22.667 -11.434 1.00 0.00 C ATOM 86 CG GLU A 6 18.672 23.259 -10.017 1.00 0.00 C ATOM 87 CD GLU A 6 17.413 24.043 -9.659 1.00 0.00 C ATOM 88 OE1 GLU A 6 17.301 25.190 -10.142 1.00 0.00 O ATOM 89 OE2 GLU A 6 16.575 23.471 -8.928 1.00 0.00 O ATOM 0 H GLU A 6 18.043 20.742 -9.992 1.00 0.00 H new ATOM 0 HA GLU A 6 16.488 22.459 -11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.493 22.062 -11.613 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.618 23.477 -12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.814 22.455 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.540 23.914 -9.940 1.00 0.00 H new ATOM 96 N GLU A 7 18.062 20.134 -13.299 1.00 0.00 N ATOM 97 CA GLU A 7 18.052 19.424 -14.568 1.00 0.00 C ATOM 98 C GLU A 7 16.628 18.986 -14.930 1.00 0.00 C ATOM 99 O GLU A 7 16.182 19.235 -16.048 1.00 0.00 O ATOM 100 CB GLU A 7 19.020 18.232 -14.534 1.00 0.00 C ATOM 101 CG GLU A 7 20.501 18.648 -14.455 1.00 0.00 C ATOM 102 CD GLU A 7 20.926 19.263 -13.121 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.251 18.973 -12.107 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.920 20.019 -13.139 1.00 0.00 O ATOM 0 H GLU A 7 18.690 19.728 -12.605 1.00 0.00 H new ATOM 0 HA GLU A 7 18.397 20.103 -15.348 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.781 17.604 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.868 17.625 -15.426 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.120 17.772 -14.649 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.705 19.365 -15.250 1.00 0.00 H new ATOM 111 N GLN A 8 15.895 18.353 -14.005 1.00 0.00 N ATOM 112 CA GLN A 8 14.497 18.025 -14.274 1.00 0.00 C ATOM 113 C GLN A 8 13.698 19.277 -14.648 1.00 0.00 C ATOM 114 O GLN A 8 12.996 19.270 -15.655 1.00 0.00 O ATOM 115 CB GLN A 8 13.847 17.292 -13.092 1.00 0.00 C ATOM 116 CG GLN A 8 14.351 15.854 -12.923 1.00 0.00 C ATOM 117 CD GLN A 8 14.014 14.989 -14.132 1.00 0.00 C ATOM 118 OE1 GLN A 8 12.872 14.586 -14.315 1.00 0.00 O ATOM 119 NE2 GLN A 8 14.997 14.713 -14.985 1.00 0.00 N ATOM 0 H GLN A 8 16.238 18.066 -13.088 1.00 0.00 H new ATOM 0 HA GLN A 8 14.483 17.347 -15.127 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.042 17.849 -12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.766 17.277 -13.232 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.430 15.863 -12.772 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.908 15.416 -12.028 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.939 15.062 -14.808 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.809 14.153 -15.816 1.00 0.00 H new ATOM 128 N LYS A 9 13.809 20.356 -13.867 1.00 0.00 N ATOM 129 CA LYS A 9 13.110 21.600 -14.180 1.00 0.00 C ATOM 130 C LYS A 9 13.459 22.094 -15.590 1.00 0.00 C ATOM 131 O LYS A 9 12.573 22.491 -16.345 1.00 0.00 O ATOM 132 CB LYS A 9 13.398 22.675 -13.124 1.00 0.00 C ATOM 133 CG LYS A 9 12.878 22.262 -11.743 1.00 0.00 C ATOM 134 CD LYS A 9 13.162 23.370 -10.721 1.00 0.00 C ATOM 135 CE LYS A 9 12.957 22.872 -9.286 1.00 0.00 C ATOM 136 NZ LYS A 9 11.599 22.344 -9.062 1.00 0.00 N ATOM 0 H LYS A 9 14.374 20.391 -13.018 1.00 0.00 H new ATOM 0 HA LYS A 9 12.040 21.395 -14.160 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.472 22.855 -13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.932 23.614 -13.423 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.807 22.068 -11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.356 21.334 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.185 23.725 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.505 24.219 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.687 22.093 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.145 23.690 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.466 22.146 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.898 23.046 -9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.474 21.466 -9.605 1.00 0.00 H new ATOM 150 N GLN A 10 14.741 22.056 -15.958 1.00 0.00 N ATOM 151 CA GLN A 10 15.214 22.428 -17.284 1.00 0.00 C ATOM 152 C GLN A 10 14.518 21.568 -18.343 1.00 0.00 C ATOM 153 O GLN A 10 13.911 22.105 -19.268 1.00 0.00 O ATOM 154 CB GLN A 10 16.746 22.315 -17.351 1.00 0.00 C ATOM 155 CG GLN A 10 17.438 23.367 -16.465 1.00 0.00 C ATOM 156 CD GLN A 10 18.857 22.964 -16.064 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.224 23.020 -14.894 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.677 22.554 -17.027 1.00 0.00 N ATOM 0 H GLN A 10 15.488 21.761 -15.330 1.00 0.00 H new ATOM 0 HA GLN A 10 14.960 23.468 -17.489 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.051 21.317 -17.035 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.074 22.437 -18.383 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.472 24.318 -16.997 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.843 23.526 -15.566 1.00 0.00 H new ATOM 0 HE21 GLN A 10 19.351 22.515 -17.993 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.632 22.278 -16.800 1.00 0.00 H new ATOM 167 N GLU A 11 14.558 20.239 -18.199 1.00 0.00 N ATOM 168 CA GLU A 11 13.891 19.335 -19.132 1.00 0.00 C ATOM 169 C GLU A 11 12.392 19.649 -19.238 1.00 0.00 C ATOM 170 O GLU A 11 11.851 19.750 -20.339 1.00 0.00 O ATOM 171 CB GLU A 11 14.119 17.872 -18.720 1.00 0.00 C ATOM 172 CG GLU A 11 15.589 17.433 -18.840 1.00 0.00 C ATOM 173 CD GLU A 11 16.121 17.425 -20.272 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.293 17.289 -21.199 1.00 0.00 O ATOM 175 OE2 GLU A 11 17.359 17.535 -20.411 1.00 0.00 O ATOM 0 H GLU A 11 15.049 19.767 -17.440 1.00 0.00 H new ATOM 0 HA GLU A 11 14.328 19.486 -20.119 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.788 17.735 -17.691 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.501 17.225 -19.342 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.207 18.099 -18.238 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.694 16.433 -18.419 1.00 0.00 H new ATOM 182 N ILE A 12 11.719 19.824 -18.098 1.00 0.00 N ATOM 183 CA ILE A 12 10.313 20.205 -18.049 1.00 0.00 C ATOM 184 C ILE A 12 10.100 21.503 -18.840 1.00 0.00 C ATOM 185 O ILE A 12 9.172 21.593 -19.643 1.00 0.00 O ATOM 186 CB ILE A 12 9.840 20.296 -16.581 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.798 18.884 -15.962 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.453 20.942 -16.469 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.661 18.896 -14.434 1.00 0.00 C ATOM 0 H ILE A 12 12.142 19.703 -17.178 1.00 0.00 H new ATOM 0 HA ILE A 12 9.697 19.442 -18.525 1.00 0.00 H new ATOM 0 HB ILE A 12 10.549 20.924 -16.041 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.962 18.331 -16.391 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.707 18.348 -16.234 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.156 20.988 -15.421 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.487 21.951 -16.881 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.729 20.347 -17.026 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.637 17.871 -14.063 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.510 19.421 -13.997 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.738 19.404 -14.155 1.00 0.00 H new ATOM 201 N ARG A 13 10.954 22.508 -18.638 1.00 0.00 N ATOM 202 CA ARG A 13 10.856 23.760 -19.373 1.00 0.00 C ATOM 203 C ARG A 13 11.040 23.534 -20.878 1.00 0.00 C ATOM 204 O ARG A 13 10.256 24.047 -21.674 1.00 0.00 O ATOM 205 CB ARG A 13 11.829 24.805 -18.802 1.00 0.00 C ATOM 206 CG ARG A 13 11.715 26.168 -19.503 1.00 0.00 C ATOM 207 CD ARG A 13 10.400 26.899 -19.191 1.00 0.00 C ATOM 208 NE ARG A 13 10.024 27.811 -20.277 1.00 0.00 N ATOM 209 CZ ARG A 13 9.067 28.746 -20.190 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.465 28.996 -19.022 1.00 0.00 N ATOM 211 NH2 ARG A 13 8.708 29.417 -21.289 1.00 0.00 N ATOM 0 H ARG A 13 11.722 22.474 -17.968 1.00 0.00 H new ATOM 0 HA ARG A 13 9.851 24.162 -19.244 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.635 24.932 -17.737 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.850 24.436 -18.899 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.553 26.796 -19.201 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.797 26.024 -20.580 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.605 26.170 -19.034 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.505 27.460 -18.263 1.00 0.00 H new ATOM 0 HE ARG A 13 10.526 27.728 -21.161 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.733 28.473 -18.188 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.738 29.709 -18.965 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.161 29.215 -22.180 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.981 30.131 -21.236 1.00 0.00 H new ATOM 225 N GLU A 14 12.052 22.763 -21.283 1.00 0.00 N ATOM 226 CA GLU A 14 12.268 22.433 -22.687 1.00 0.00 C ATOM 227 C GLU A 14 11.011 21.791 -23.282 1.00 0.00 C ATOM 228 O GLU A 14 10.514 22.236 -24.316 1.00 0.00 O ATOM 229 CB GLU A 14 13.490 21.518 -22.837 1.00 0.00 C ATOM 230 CG GLU A 14 14.795 22.259 -22.514 1.00 0.00 C ATOM 231 CD GLU A 14 15.978 21.298 -22.466 1.00 0.00 C ATOM 232 OE1 GLU A 14 16.361 20.822 -23.557 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.471 21.054 -21.344 1.00 0.00 O ATOM 0 H GLU A 14 12.739 22.354 -20.649 1.00 0.00 H new ATOM 0 HA GLU A 14 12.468 23.350 -23.241 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.385 20.659 -22.174 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.533 21.132 -23.855 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.977 23.026 -23.267 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.699 22.769 -21.556 1.00 0.00 H new ATOM 240 N ALA A 15 10.484 20.758 -22.615 1.00 0.00 N ATOM 241 CA ALA A 15 9.261 20.086 -23.032 1.00 0.00 C ATOM 242 C ALA A 15 8.119 21.095 -23.175 1.00 0.00 C ATOM 243 O ALA A 15 7.462 21.145 -24.216 1.00 0.00 O ATOM 244 CB ALA A 15 8.908 18.976 -22.038 1.00 0.00 C ATOM 0 H ALA A 15 10.899 20.368 -21.769 1.00 0.00 H new ATOM 0 HA ALA A 15 9.420 19.627 -24.008 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.992 18.479 -22.358 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.720 18.250 -22.000 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.760 19.408 -21.048 1.00 0.00 H new ATOM 250 N PHE A 16 7.905 21.916 -22.139 1.00 0.00 N ATOM 251 CA PHE A 16 6.913 22.982 -22.160 1.00 0.00 C ATOM 252 C PHE A 16 7.065 23.819 -23.429 1.00 0.00 C ATOM 253 O PHE A 16 6.160 23.847 -24.258 1.00 0.00 O ATOM 254 CB PHE A 16 7.022 23.860 -20.904 1.00 0.00 C ATOM 255 CG PHE A 16 6.020 24.998 -20.873 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.682 24.731 -20.542 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.395 26.296 -21.272 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.718 25.751 -20.607 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.426 27.312 -21.358 1.00 0.00 C ATOM 260 CZ PHE A 16 4.088 27.038 -21.027 1.00 0.00 C ATOM 0 H PHE A 16 8.421 21.854 -21.261 1.00 0.00 H new ATOM 0 HA PHE A 16 5.921 22.531 -22.162 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.880 23.237 -20.021 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.029 24.272 -20.844 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.392 23.737 -20.236 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.426 26.511 -21.512 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.694 25.545 -20.334 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.710 28.303 -21.679 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.344 27.818 -21.096 1.00 0.00 H new ATOM 270 N ASP A 17 8.220 24.473 -23.589 1.00 0.00 N ATOM 271 CA ASP A 17 8.497 25.350 -24.719 1.00 0.00 C ATOM 272 C ASP A 17 8.237 24.637 -26.044 1.00 0.00 C ATOM 273 O ASP A 17 7.597 25.205 -26.927 1.00 0.00 O ATOM 274 CB ASP A 17 9.938 25.882 -24.665 1.00 0.00 C ATOM 275 CG ASP A 17 10.142 26.951 -23.594 1.00 0.00 C ATOM 276 OD1 ASP A 17 9.304 27.878 -23.533 1.00 0.00 O ATOM 277 OD2 ASP A 17 11.148 26.847 -22.864 1.00 0.00 O ATOM 0 H ASP A 17 8.994 24.404 -22.928 1.00 0.00 H new ATOM 0 HA ASP A 17 7.818 26.200 -24.652 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.619 25.052 -24.476 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.203 26.296 -25.638 1.00 0.00 H new ATOM 282 N LEU A 18 8.721 23.399 -26.187 1.00 0.00 N ATOM 283 CA LEU A 18 8.493 22.619 -27.393 1.00 0.00 C ATOM 284 C LEU A 18 6.999 22.478 -27.669 1.00 0.00 C ATOM 285 O LEU A 18 6.554 22.780 -28.772 1.00 0.00 O ATOM 286 CB LEU A 18 9.190 21.254 -27.307 1.00 0.00 C ATOM 287 CG LEU A 18 8.947 20.427 -28.586 1.00 0.00 C ATOM 288 CD1 LEU A 18 10.230 19.725 -29.024 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.855 19.368 -28.384 1.00 0.00 C ATOM 0 H LEU A 18 9.274 22.920 -25.476 1.00 0.00 H new ATOM 0 HA LEU A 18 8.934 23.152 -28.236 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.261 21.397 -27.160 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.820 20.707 -26.440 1.00 0.00 H new ATOM 0 HG LEU A 18 8.620 21.127 -29.355 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.038 19.147 -29.928 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.001 20.469 -29.226 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.568 19.058 -28.231 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.716 18.808 -29.309 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.153 18.685 -27.588 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.920 19.857 -28.111 1.00 0.00 H new ATOM 301 N PHE A 19 6.217 22.010 -26.693 1.00 0.00 N ATOM 302 CA PHE A 19 4.782 21.842 -26.897 1.00 0.00 C ATOM 303 C PHE A 19 4.108 23.187 -27.187 1.00 0.00 C ATOM 304 O PHE A 19 3.211 23.279 -28.025 1.00 0.00 O ATOM 305 CB PHE A 19 4.145 21.180 -25.669 1.00 0.00 C ATOM 306 CG PHE A 19 4.664 19.801 -25.294 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.916 18.830 -26.284 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.758 19.443 -23.936 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.344 17.542 -25.920 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.123 18.135 -23.574 1.00 0.00 C ATOM 311 CZ PHE A 19 5.454 17.194 -24.564 1.00 0.00 C ATOM 0 H PHE A 19 6.551 21.745 -25.766 1.00 0.00 H new ATOM 0 HA PHE A 19 4.634 21.196 -27.762 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.286 21.841 -24.814 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.071 21.105 -25.841 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.780 19.077 -27.327 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.549 20.175 -23.170 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.589 16.819 -26.684 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.149 17.852 -22.532 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.792 16.207 -24.283 1.00 0.00 H new ATOM 321 N ASP A 20 4.563 24.244 -26.514 1.00 0.00 N ATOM 322 CA ASP A 20 4.043 25.610 -26.541 1.00 0.00 C ATOM 323 C ASP A 20 4.321 26.342 -27.868 1.00 0.00 C ATOM 324 O ASP A 20 4.420 27.569 -27.872 1.00 0.00 O ATOM 325 CB ASP A 20 4.719 26.329 -25.365 1.00 0.00 C ATOM 326 CG ASP A 20 4.147 27.684 -24.994 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.945 27.731 -24.666 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.938 28.650 -24.984 1.00 0.00 O ATOM 0 H ASP A 20 5.365 24.161 -25.889 1.00 0.00 H new ATOM 0 HA ASP A 20 2.956 25.600 -26.456 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.664 25.682 -24.490 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.775 26.456 -25.602 1.00 0.00 H new ATOM 333 N THR A 21 4.412 25.602 -28.981 1.00 0.00 N ATOM 334 CA THR A 21 4.740 26.067 -30.324 1.00 0.00 C ATOM 335 C THR A 21 4.096 27.421 -30.637 1.00 0.00 C ATOM 336 O THR A 21 4.779 28.411 -30.892 1.00 0.00 O ATOM 337 CB THR A 21 4.278 25.006 -31.343 1.00 0.00 C ATOM 338 OG1 THR A 21 2.909 24.693 -31.150 1.00 0.00 O ATOM 339 CG2 THR A 21 5.068 23.697 -31.255 1.00 0.00 C ATOM 0 H THR A 21 4.246 24.596 -28.959 1.00 0.00 H new ATOM 0 HA THR A 21 5.819 26.207 -30.387 1.00 0.00 H new ATOM 0 HB THR A 21 4.450 25.450 -32.323 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.554 25.224 -30.407 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.692 22.994 -31.999 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.123 23.895 -31.444 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.952 23.268 -30.260 1.00 0.00 H new ATOM 377 N GLY A 25 3.876 31.115 -24.450 1.00 0.00 N ATOM 378 CA GLY A 25 3.588 31.598 -23.112 1.00 0.00 C ATOM 379 C GLY A 25 2.703 30.601 -22.371 1.00 0.00 C ATOM 380 O GLY A 25 2.986 30.260 -21.223 1.00 0.00 O ATOM 0 HA2 GLY A 25 4.518 31.748 -22.563 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.091 32.566 -23.166 1.00 0.00 H new ATOM 384 N THR A 26 1.627 30.139 -23.014 1.00 0.00 N ATOM 385 CA THR A 26 0.615 29.297 -22.385 1.00 0.00 C ATOM 386 C THR A 26 0.242 28.159 -23.335 1.00 0.00 C ATOM 387 O THR A 26 -0.204 28.437 -24.446 1.00 0.00 O ATOM 388 CB THR A 26 -0.615 30.160 -22.075 1.00 0.00 C ATOM 389 OG1 THR A 26 -1.065 30.800 -23.253 1.00 0.00 O ATOM 390 CG2 THR A 26 -0.339 31.220 -21.010 1.00 0.00 C ATOM 0 H THR A 26 1.435 30.343 -23.995 1.00 0.00 H new ATOM 0 HA THR A 26 0.998 28.867 -21.460 1.00 0.00 H new ATOM 0 HB THR A 26 -1.380 29.488 -21.686 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.946 30.199 -24.018 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.244 31.800 -20.831 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.031 30.734 -20.084 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.455 31.883 -21.354 1.00 0.00 H new ATOM 398 N ILE A 27 0.366 26.899 -22.908 1.00 0.00 N ATOM 399 CA ILE A 27 0.076 25.765 -23.776 1.00 0.00 C ATOM 400 C ILE A 27 -1.439 25.688 -23.970 1.00 0.00 C ATOM 401 O ILE A 27 -2.190 25.600 -23.001 1.00 0.00 O ATOM 402 CB ILE A 27 0.653 24.470 -23.169 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.162 24.424 -23.439 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.001 23.189 -23.712 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.832 23.222 -22.776 1.00 0.00 C ATOM 0 H ILE A 27 0.665 26.644 -21.967 1.00 0.00 H new ATOM 0 HA ILE A 27 0.548 25.891 -24.750 1.00 0.00 H new ATOM 0 HB ILE A 27 0.438 24.498 -22.101 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.336 24.387 -24.514 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.623 25.342 -23.073 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.458 22.320 -23.239 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.066 23.203 -23.492 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.148 23.135 -24.791 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.899 23.233 -22.996 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.683 23.272 -21.697 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.392 22.302 -23.161 1.00 0.00 H new ATOM 417 N ASP A 28 -1.889 25.712 -25.224 1.00 0.00 N ATOM 418 CA ASP A 28 -3.291 25.537 -25.556 1.00 0.00 C ATOM 419 C ASP A 28 -3.681 24.065 -25.405 1.00 0.00 C ATOM 420 O ASP A 28 -2.873 23.177 -25.675 1.00 0.00 O ATOM 421 CB ASP A 28 -3.551 26.041 -26.980 1.00 0.00 C ATOM 422 CG ASP A 28 -5.035 25.985 -27.332 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.475 24.897 -27.763 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.705 27.021 -27.143 1.00 0.00 O ATOM 0 H ASP A 28 -1.286 25.854 -26.035 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.907 26.120 -24.872 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.192 27.066 -27.075 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.985 25.438 -27.690 1.00 0.00 H new ATOM 429 N ALA A 29 -4.934 23.815 -25.013 1.00 0.00 N ATOM 430 CA ALA A 29 -5.551 22.494 -24.990 1.00 0.00 C ATOM 431 C ALA A 29 -5.106 21.609 -26.163 1.00 0.00 C ATOM 432 O ALA A 29 -4.707 20.468 -25.951 1.00 0.00 O ATOM 433 CB ALA A 29 -7.074 22.657 -24.993 1.00 0.00 C ATOM 0 H ALA A 29 -5.563 24.552 -24.694 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.224 21.988 -24.082 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.545 21.674 -24.976 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.381 23.222 -24.113 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.381 23.191 -25.892 1.00 0.00 H new ATOM 439 N LYS A 30 -5.157 22.139 -27.390 1.00 0.00 N ATOM 440 CA LYS A 30 -4.727 21.444 -28.599 1.00 0.00 C ATOM 441 C LYS A 30 -3.287 20.936 -28.456 1.00 0.00 C ATOM 442 O LYS A 30 -3.013 19.749 -28.623 1.00 0.00 O ATOM 443 CB LYS A 30 -4.854 22.382 -29.808 1.00 0.00 C ATOM 444 CG LYS A 30 -6.322 22.714 -30.112 1.00 0.00 C ATOM 445 CD LYS A 30 -6.455 23.843 -31.142 1.00 0.00 C ATOM 446 CE LYS A 30 -5.839 23.478 -32.498 1.00 0.00 C ATOM 447 NZ LYS A 30 -6.099 24.525 -33.501 1.00 0.00 N ATOM 0 H LYS A 30 -5.505 23.081 -27.569 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.371 20.578 -28.753 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.304 23.303 -29.614 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.397 21.916 -30.681 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.826 21.822 -30.485 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.827 23.003 -29.190 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.509 24.083 -31.279 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.971 24.740 -30.757 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.764 23.337 -32.386 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.250 22.530 -32.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.671 24.251 -34.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.125 24.641 -33.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.685 25.424 -33.180 1.00 0.00 H new ATOM 461 N GLU A 31 -2.364 21.843 -28.132 1.00 0.00 N ATOM 462 CA GLU A 31 -0.962 21.512 -27.931 1.00 0.00 C ATOM 463 C GLU A 31 -0.830 20.457 -26.830 1.00 0.00 C ATOM 464 O GLU A 31 -0.048 19.517 -26.959 1.00 0.00 O ATOM 465 CB GLU A 31 -0.174 22.781 -27.584 1.00 0.00 C ATOM 466 CG GLU A 31 -0.084 23.766 -28.758 1.00 0.00 C ATOM 467 CD GLU A 31 0.492 25.110 -28.319 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.032 25.655 -27.323 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.434 25.587 -28.990 1.00 0.00 O ATOM 0 H GLU A 31 -2.575 22.833 -28.002 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.548 21.096 -28.850 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.647 23.276 -26.736 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.832 22.504 -27.271 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.540 23.341 -29.544 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.076 23.916 -29.185 1.00 0.00 H new ATOM 476 N LEU A 32 -1.599 20.595 -25.745 1.00 0.00 N ATOM 477 CA LEU A 32 -1.539 19.624 -24.661 1.00 0.00 C ATOM 478 C LEU A 32 -2.000 18.238 -25.130 1.00 0.00 C ATOM 479 O LEU A 32 -1.332 17.246 -24.845 1.00 0.00 O ATOM 480 CB LEU A 32 -2.322 20.101 -23.432 1.00 0.00 C ATOM 481 CG LEU A 32 -1.845 19.360 -22.168 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.541 19.949 -21.605 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.938 19.407 -21.098 1.00 0.00 C ATOM 0 H LEU A 32 -2.259 21.359 -25.600 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.496 19.533 -24.357 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.189 21.175 -23.303 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.388 19.927 -23.582 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.642 18.327 -22.451 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.245 19.393 -20.715 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.245 19.876 -22.356 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.697 20.996 -21.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.597 18.882 -20.206 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.157 20.445 -20.847 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.840 18.928 -21.478 1.00 0.00 H new ATOM 495 N LYS A 33 -3.125 18.134 -25.846 1.00 0.00 N ATOM 496 CA LYS A 33 -3.551 16.834 -26.356 1.00 0.00 C ATOM 497 C LYS A 33 -2.550 16.272 -27.372 1.00 0.00 C ATOM 498 O LYS A 33 -2.306 15.069 -27.374 1.00 0.00 O ATOM 499 CB LYS A 33 -5.016 16.787 -26.800 1.00 0.00 C ATOM 500 CG LYS A 33 -5.273 17.704 -27.981 1.00 0.00 C ATOM 501 CD LYS A 33 -6.697 17.605 -28.545 1.00 0.00 C ATOM 502 CE LYS A 33 -7.750 18.059 -27.527 1.00 0.00 C ATOM 503 NZ LYS A 33 -9.090 18.123 -28.136 1.00 0.00 N ATOM 0 H LYS A 33 -3.740 18.914 -26.079 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.534 16.144 -25.512 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.283 15.765 -27.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.658 17.076 -25.968 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.083 18.734 -27.677 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.562 17.469 -28.773 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.774 18.216 -29.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.899 16.576 -28.841 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.764 17.369 -26.683 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.480 19.039 -27.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.781 18.433 -27.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.080 18.799 -28.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.356 17.182 -28.489 1.00 0.00 H new ATOM 517 N VAL A 34 -1.932 17.121 -28.202 1.00 0.00 N ATOM 518 CA VAL A 34 -0.831 16.692 -29.064 1.00 0.00 C ATOM 519 C VAL A 34 0.307 16.107 -28.215 1.00 0.00 C ATOM 520 O VAL A 34 0.800 15.017 -28.506 1.00 0.00 O ATOM 521 CB VAL A 34 -0.369 17.851 -29.969 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.978 17.563 -30.650 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.417 18.115 -31.057 1.00 0.00 C ATOM 0 H VAL A 34 -2.177 18.107 -28.293 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.175 15.898 -29.727 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.248 18.723 -29.326 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.258 18.410 -31.276 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.743 17.405 -29.890 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.890 16.669 -31.268 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.083 18.935 -31.692 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.548 17.218 -31.662 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.366 18.380 -30.591 1.00 0.00 H new ATOM 533 N ALA A 35 0.715 16.810 -27.155 1.00 0.00 N ATOM 534 CA ALA A 35 1.742 16.333 -26.237 1.00 0.00 C ATOM 535 C ALA A 35 1.366 14.958 -25.680 1.00 0.00 C ATOM 536 O ALA A 35 2.131 14.004 -25.795 1.00 0.00 O ATOM 537 CB ALA A 35 1.954 17.346 -25.109 1.00 0.00 C ATOM 0 H ALA A 35 0.339 17.727 -26.913 1.00 0.00 H new ATOM 0 HA ALA A 35 2.680 16.228 -26.782 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.723 16.979 -24.430 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.269 18.300 -25.531 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.021 17.481 -24.561 1.00 0.00 H new ATOM 543 N MET A 36 0.173 14.847 -25.093 1.00 0.00 N ATOM 544 CA MET A 36 -0.342 13.587 -24.579 1.00 0.00 C ATOM 545 C MET A 36 -0.320 12.494 -25.652 1.00 0.00 C ATOM 546 O MET A 36 0.119 11.375 -25.387 1.00 0.00 O ATOM 547 CB MET A 36 -1.736 13.809 -23.974 1.00 0.00 C ATOM 548 CG MET A 36 -1.629 13.944 -22.450 1.00 0.00 C ATOM 549 SD MET A 36 -3.196 14.204 -21.588 1.00 0.00 S ATOM 550 CE MET A 36 -3.478 15.933 -22.011 1.00 0.00 C ATOM 0 H MET A 36 -0.462 15.635 -24.963 1.00 0.00 H new ATOM 0 HA MET A 36 0.309 13.228 -23.782 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.186 14.707 -24.396 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.390 12.975 -24.229 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.160 13.043 -22.054 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.964 14.777 -22.221 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.467 16.235 -21.667 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.722 16.553 -21.530 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.416 16.058 -23.092 1.00 0.00 H new ATOM 560 N ARG A 37 -0.776 12.803 -26.866 1.00 0.00 N ATOM 561 CA ARG A 37 -0.758 11.862 -27.975 1.00 0.00 C ATOM 562 C ARG A 37 0.671 11.376 -28.228 1.00 0.00 C ATOM 563 O ARG A 37 0.909 10.172 -28.297 1.00 0.00 O ATOM 564 CB ARG A 37 -1.376 12.513 -29.220 1.00 0.00 C ATOM 565 CG ARG A 37 -1.632 11.520 -30.360 1.00 0.00 C ATOM 566 CD ARG A 37 -2.665 10.458 -29.958 1.00 0.00 C ATOM 567 NE ARG A 37 -3.299 9.850 -31.134 1.00 0.00 N ATOM 568 CZ ARG A 37 -4.271 10.419 -31.863 1.00 0.00 C ATOM 569 NH1 ARG A 37 -4.695 11.656 -31.579 1.00 0.00 N ATOM 570 NH2 ARG A 37 -4.814 9.744 -32.881 1.00 0.00 N ATOM 0 H ARG A 37 -1.168 13.714 -27.104 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.360 10.988 -27.727 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.317 12.989 -28.944 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.713 13.301 -29.576 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.985 12.058 -31.240 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.697 11.033 -30.637 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.180 9.684 -29.364 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.428 10.912 -29.326 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.976 8.925 -31.418 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.279 12.172 -30.804 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.434 12.082 -32.137 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.489 8.802 -33.100 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.553 10.171 -33.439 1.00 0.00 H new ATOM 584 N ALA A 38 1.633 12.299 -28.324 1.00 0.00 N ATOM 585 CA ALA A 38 3.045 11.957 -28.474 1.00 0.00 C ATOM 586 C ALA A 38 3.524 11.072 -27.318 1.00 0.00 C ATOM 587 O ALA A 38 4.258 10.110 -27.533 1.00 0.00 O ATOM 588 CB ALA A 38 3.886 13.232 -28.592 1.00 0.00 C ATOM 0 H ALA A 38 1.452 13.302 -28.300 1.00 0.00 H new ATOM 0 HA ALA A 38 3.169 11.382 -29.392 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.937 12.966 -28.703 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.562 13.802 -29.463 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.758 13.837 -27.694 1.00 0.00 H new ATOM 594 N LEU A 39 3.077 11.369 -26.095 1.00 0.00 N ATOM 595 CA LEU A 39 3.340 10.562 -24.907 1.00 0.00 C ATOM 596 C LEU A 39 2.560 9.234 -24.896 1.00 0.00 C ATOM 597 O LEU A 39 2.655 8.484 -23.927 1.00 0.00 O ATOM 598 CB LEU A 39 3.014 11.383 -23.648 1.00 0.00 C ATOM 599 CG LEU A 39 3.929 12.601 -23.426 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.277 13.554 -22.415 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.308 12.176 -22.907 1.00 0.00 C ATOM 0 H LEU A 39 2.511 12.195 -25.902 1.00 0.00 H new ATOM 0 HA LEU A 39 4.397 10.298 -24.921 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.982 11.727 -23.711 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.080 10.731 -22.777 1.00 0.00 H new ATOM 0 HG LEU A 39 4.064 13.103 -24.384 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.925 14.416 -22.258 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.314 13.889 -22.800 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.129 13.034 -21.468 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.930 13.059 -22.761 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.194 11.651 -21.958 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.782 11.515 -23.633 1.00 0.00 H new ATOM 613 N GLY A 40 1.789 8.923 -25.941 1.00 0.00 N ATOM 614 CA GLY A 40 1.112 7.643 -26.098 1.00 0.00 C ATOM 615 C GLY A 40 -0.210 7.563 -25.336 1.00 0.00 C ATOM 616 O GLY A 40 -0.720 6.466 -25.113 1.00 0.00 O ATOM 0 H GLY A 40 1.618 9.568 -26.712 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.925 7.466 -27.157 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.771 6.846 -25.753 1.00 0.00 H new ATOM 620 N PHE A 41 -0.791 8.703 -24.954 1.00 0.00 N ATOM 621 CA PHE A 41 -2.129 8.730 -24.373 1.00 0.00 C ATOM 622 C PHE A 41 -3.180 8.538 -25.466 1.00 0.00 C ATOM 623 O PHE A 41 -2.896 8.686 -26.654 1.00 0.00 O ATOM 624 CB PHE A 41 -2.386 10.074 -23.680 1.00 0.00 C ATOM 625 CG PHE A 41 -1.733 10.260 -22.321 1.00 0.00 C ATOM 626 CD1 PHE A 41 -0.331 10.238 -22.188 1.00 0.00 C ATOM 627 CD2 PHE A 41 -2.532 10.515 -21.189 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.265 10.435 -20.932 1.00 0.00 C ATOM 629 CE2 PHE A 41 -1.934 10.726 -19.935 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.537 10.674 -19.803 1.00 0.00 C ATOM 0 H PHE A 41 -0.352 9.620 -25.038 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.197 7.923 -23.644 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.041 10.871 -24.339 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.462 10.200 -23.564 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.289 10.069 -23.056 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.607 10.548 -21.285 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.340 10.403 -20.834 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.550 10.929 -19.071 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.080 10.817 -18.835 1.00 0.00 H new ATOM 640 N GLU A 42 -4.419 8.280 -25.037 1.00 0.00 N ATOM 641 CA GLU A 42 -5.607 8.277 -25.874 1.00 0.00 C ATOM 642 C GLU A 42 -6.439 9.507 -25.480 1.00 0.00 C ATOM 643 O GLU A 42 -7.015 9.492 -24.393 1.00 0.00 O ATOM 644 CB GLU A 42 -6.398 6.986 -25.622 1.00 0.00 C ATOM 645 CG GLU A 42 -5.596 5.735 -26.007 1.00 0.00 C ATOM 646 CD GLU A 42 -6.431 4.466 -25.846 1.00 0.00 C ATOM 647 OE1 GLU A 42 -7.008 4.301 -24.748 1.00 0.00 O ATOM 648 OE2 GLU A 42 -6.487 3.692 -26.825 1.00 0.00 O ATOM 0 H GLU A 42 -4.622 8.061 -24.062 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.353 8.318 -26.933 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.674 6.930 -24.569 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.326 7.012 -26.194 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.258 5.821 -27.040 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.704 5.667 -25.384 1.00 0.00 H new ATOM 655 N PRO A 43 -6.478 10.575 -26.298 1.00 0.00 N ATOM 656 CA PRO A 43 -7.247 11.793 -26.047 1.00 0.00 C ATOM 657 C PRO A 43 -8.759 11.602 -25.836 1.00 0.00 C ATOM 658 O PRO A 43 -9.575 12.020 -26.659 1.00 0.00 O ATOM 659 CB PRO A 43 -6.942 12.716 -27.233 1.00 0.00 C ATOM 660 CG PRO A 43 -5.515 12.326 -27.601 1.00 0.00 C ATOM 661 CD PRO A 43 -5.519 10.815 -27.365 1.00 0.00 C ATOM 0 HA PRO A 43 -6.941 12.214 -25.089 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.633 12.554 -28.061 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.016 13.768 -26.957 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.279 12.575 -28.636 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.781 12.833 -26.975 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.803 10.280 -28.271 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.527 10.462 -27.084 1.00 0.00 H new ATOM 669 N LYS A 44 -9.154 11.038 -24.694 1.00 0.00 N ATOM 670 CA LYS A 44 -10.538 10.984 -24.258 1.00 0.00 C ATOM 671 C LYS A 44 -10.995 12.407 -23.920 1.00 0.00 C ATOM 672 O LYS A 44 -10.920 12.830 -22.768 1.00 0.00 O ATOM 673 CB LYS A 44 -10.676 10.024 -23.067 1.00 0.00 C ATOM 674 CG LYS A 44 -10.373 8.578 -23.484 1.00 0.00 C ATOM 675 CD LYS A 44 -10.574 7.624 -22.300 1.00 0.00 C ATOM 676 CE LYS A 44 -10.333 6.162 -22.694 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.939 5.926 -23.112 1.00 0.00 N ATOM 0 H LYS A 44 -8.506 10.600 -24.040 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.180 10.597 -25.049 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.995 10.326 -22.271 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.686 10.085 -22.662 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.025 8.287 -24.308 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.348 8.505 -23.847 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.894 7.899 -21.493 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.588 7.733 -21.914 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.573 5.515 -21.851 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.006 5.890 -23.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.783 4.906 -23.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.758 6.419 -24.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.292 6.287 -22.382 1.00 0.00 H new ATOM 691 N LYS A 45 -11.443 13.134 -24.949 1.00 0.00 N ATOM 692 CA LYS A 45 -11.808 14.549 -24.949 1.00 0.00 C ATOM 693 C LYS A 45 -12.368 15.039 -23.609 1.00 0.00 C ATOM 694 O LYS A 45 -11.881 16.022 -23.057 1.00 0.00 O ATOM 695 CB LYS A 45 -12.820 14.783 -26.083 1.00 0.00 C ATOM 696 CG LYS A 45 -13.068 16.273 -26.359 1.00 0.00 C ATOM 697 CD LYS A 45 -14.337 16.525 -27.189 1.00 0.00 C ATOM 698 CE LYS A 45 -14.341 15.836 -28.561 1.00 0.00 C ATOM 699 NZ LYS A 45 -14.802 14.436 -28.484 1.00 0.00 N ATOM 0 H LYS A 45 -11.568 12.715 -25.870 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.901 15.131 -25.109 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.457 14.305 -26.993 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.764 14.303 -25.826 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.149 16.804 -25.411 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.208 16.688 -26.885 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.202 16.183 -26.621 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.455 17.599 -27.334 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.986 16.391 -29.242 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.336 15.862 -28.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.022 13.799 -28.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.114 14.226 -27.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.596 14.295 -29.141 1.00 0.00 H new ATOM 713 N GLU A 46 -13.403 14.378 -23.092 1.00 0.00 N ATOM 714 CA GLU A 46 -14.061 14.783 -21.858 1.00 0.00 C ATOM 715 C GLU A 46 -13.061 14.775 -20.695 1.00 0.00 C ATOM 716 O GLU A 46 -12.957 15.744 -19.942 1.00 0.00 O ATOM 717 CB GLU A 46 -15.259 13.859 -21.576 1.00 0.00 C ATOM 718 CG GLU A 46 -16.409 14.011 -22.590 1.00 0.00 C ATOM 719 CD GLU A 46 -16.076 13.548 -24.008 1.00 0.00 C ATOM 720 OE1 GLU A 46 -15.263 12.603 -24.127 1.00 0.00 O ATOM 721 OE2 GLU A 46 -16.617 14.164 -24.952 1.00 0.00 O ATOM 0 H GLU A 46 -13.807 13.545 -23.521 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.436 15.801 -21.966 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.917 12.824 -21.580 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.639 14.066 -20.575 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.269 13.446 -22.231 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.708 15.059 -22.625 1.00 0.00 H new ATOM 728 N GLU A 47 -12.309 13.681 -20.562 1.00 0.00 N ATOM 729 CA GLU A 47 -11.304 13.524 -19.523 1.00 0.00 C ATOM 730 C GLU A 47 -10.189 14.550 -19.726 1.00 0.00 C ATOM 731 O GLU A 47 -9.747 15.177 -18.769 1.00 0.00 O ATOM 732 CB GLU A 47 -10.748 12.094 -19.532 1.00 0.00 C ATOM 733 CG GLU A 47 -11.852 11.045 -19.327 1.00 0.00 C ATOM 734 CD GLU A 47 -11.322 9.612 -19.369 1.00 0.00 C ATOM 735 OE1 GLU A 47 -10.086 9.447 -19.273 1.00 0.00 O ATOM 736 OE2 GLU A 47 -12.169 8.705 -19.508 1.00 0.00 O ATOM 0 H GLU A 47 -12.386 12.874 -21.181 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.761 13.699 -18.549 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.243 11.908 -20.480 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.000 11.991 -18.746 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.339 11.219 -18.368 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.613 11.169 -20.098 1.00 0.00 H new ATOM 743 N ILE A 48 -9.751 14.734 -20.975 1.00 0.00 N ATOM 744 CA ILE A 48 -8.753 15.738 -21.332 1.00 0.00 C ATOM 745 C ILE A 48 -9.199 17.119 -20.832 1.00 0.00 C ATOM 746 O ILE A 48 -8.450 17.794 -20.130 1.00 0.00 O ATOM 747 CB ILE A 48 -8.498 15.711 -22.854 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.848 14.397 -23.326 1.00 0.00 C ATOM 749 CG2 ILE A 48 -7.676 16.915 -23.326 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.347 14.312 -23.034 1.00 0.00 C ATOM 0 H ILE A 48 -10.083 14.186 -21.769 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.805 15.510 -20.845 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.483 15.773 -23.316 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.351 13.559 -22.843 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.007 14.288 -24.399 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.523 16.851 -24.403 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.210 17.835 -23.089 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.710 16.916 -22.822 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.960 13.359 -23.395 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.831 15.128 -23.540 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.181 14.388 -21.959 1.00 0.00 H new ATOM 762 N LYS A 49 -10.419 17.537 -21.179 1.00 0.00 N ATOM 763 CA LYS A 49 -10.980 18.812 -20.746 1.00 0.00 C ATOM 764 C LYS A 49 -11.015 18.900 -19.218 1.00 0.00 C ATOM 765 O LYS A 49 -10.598 19.908 -18.643 1.00 0.00 O ATOM 766 CB LYS A 49 -12.383 19.000 -21.338 1.00 0.00 C ATOM 767 CG LYS A 49 -12.325 19.267 -22.849 1.00 0.00 C ATOM 768 CD LYS A 49 -13.716 19.189 -23.497 1.00 0.00 C ATOM 769 CE LYS A 49 -14.740 20.158 -22.890 1.00 0.00 C ATOM 770 NZ LYS A 49 -14.280 21.556 -22.947 1.00 0.00 N ATOM 0 H LYS A 49 -11.047 16.994 -21.772 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.340 19.615 -21.111 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.982 18.109 -21.148 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.881 19.832 -20.839 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.896 20.253 -23.027 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.663 18.541 -23.321 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.622 19.396 -24.563 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.093 18.171 -23.403 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.686 20.066 -23.423 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.930 19.881 -21.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.029 22.183 -22.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.428 21.665 -22.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.058 21.809 -23.931 1.00 0.00 H new ATOM 784 N LYS A 50 -11.517 17.852 -18.558 1.00 0.00 N ATOM 785 CA LYS A 50 -11.576 17.802 -17.103 1.00 0.00 C ATOM 786 C LYS A 50 -10.176 18.056 -16.524 1.00 0.00 C ATOM 787 O LYS A 50 -9.984 18.972 -15.721 1.00 0.00 O ATOM 788 CB LYS A 50 -12.167 16.452 -16.652 1.00 0.00 C ATOM 789 CG LYS A 50 -12.940 16.515 -15.325 1.00 0.00 C ATOM 790 CD LYS A 50 -12.107 17.091 -14.175 1.00 0.00 C ATOM 791 CE LYS A 50 -12.794 16.896 -12.818 1.00 0.00 C ATOM 792 NZ LYS A 50 -12.729 15.495 -12.366 1.00 0.00 N ATOM 0 H LYS A 50 -11.890 17.022 -19.018 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.233 18.584 -16.723 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.834 16.082 -17.431 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.358 15.728 -16.554 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.834 17.124 -15.460 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.275 15.513 -15.058 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.129 16.610 -14.159 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.937 18.154 -14.347 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.321 17.539 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.836 17.206 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.082 15.428 -11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.316 14.902 -12.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.744 15.164 -12.401 1.00 0.00 H new ATOM 806 N MET A 51 -9.191 17.264 -16.955 1.00 0.00 N ATOM 807 CA MET A 51 -7.821 17.374 -16.495 1.00 0.00 C ATOM 808 C MET A 51 -7.291 18.787 -16.736 1.00 0.00 C ATOM 809 O MET A 51 -6.798 19.420 -15.807 1.00 0.00 O ATOM 810 CB MET A 51 -6.947 16.320 -17.186 1.00 0.00 C ATOM 811 CG MET A 51 -5.643 16.141 -16.403 1.00 0.00 C ATOM 812 SD MET A 51 -4.339 15.187 -17.218 1.00 0.00 S ATOM 813 CE MET A 51 -3.853 16.348 -18.513 1.00 0.00 C ATOM 0 H MET A 51 -9.333 16.523 -17.641 1.00 0.00 H new ATOM 0 HA MET A 51 -7.788 17.187 -15.422 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.481 15.372 -17.244 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.730 16.627 -18.209 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.247 17.129 -16.168 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.878 15.658 -15.455 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.952 15.985 -19.008 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.658 16.436 -19.243 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.655 17.324 -18.071 1.00 0.00 H new ATOM 823 N ILE A 52 -7.401 19.291 -17.970 1.00 0.00 N ATOM 824 CA ILE A 52 -6.997 20.650 -18.315 1.00 0.00 C ATOM 825 C ILE A 52 -7.577 21.631 -17.300 1.00 0.00 C ATOM 826 O ILE A 52 -6.846 22.452 -16.756 1.00 0.00 O ATOM 827 CB ILE A 52 -7.419 20.989 -19.760 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.462 20.277 -20.733 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.439 22.506 -20.036 1.00 0.00 C ATOM 830 CD1 ILE A 52 -6.986 20.270 -22.170 1.00 0.00 C ATOM 0 H ILE A 52 -7.775 18.762 -18.758 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.911 20.730 -18.274 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.441 20.640 -19.905 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.490 20.769 -20.707 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.309 19.250 -20.401 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.743 22.684 -21.068 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.145 22.989 -19.361 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.443 22.918 -19.875 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.273 19.756 -22.815 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.945 19.753 -22.205 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.114 21.296 -22.516 1.00 0.00 H new ATOM 842 N SER A 53 -8.877 21.534 -17.025 1.00 0.00 N ATOM 843 CA SER A 53 -9.525 22.409 -16.063 1.00 0.00 C ATOM 844 C SER A 53 -8.887 22.284 -14.675 1.00 0.00 C ATOM 845 O SER A 53 -8.546 23.295 -14.068 1.00 0.00 O ATOM 846 CB SER A 53 -11.032 22.134 -16.029 1.00 0.00 C ATOM 847 OG SER A 53 -11.569 22.181 -17.337 1.00 0.00 O ATOM 0 H SER A 53 -9.500 20.853 -17.460 1.00 0.00 H new ATOM 0 HA SER A 53 -9.380 23.442 -16.381 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.220 21.156 -15.586 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.529 22.871 -15.398 1.00 0.00 H new ATOM 0 HG SER A 53 -11.325 21.364 -17.821 1.00 0.00 H new ATOM 853 N GLU A 54 -8.710 21.056 -14.176 1.00 0.00 N ATOM 854 CA GLU A 54 -8.072 20.832 -12.881 1.00 0.00 C ATOM 855 C GLU A 54 -6.673 21.457 -12.832 1.00 0.00 C ATOM 856 O GLU A 54 -6.301 22.074 -11.837 1.00 0.00 O ATOM 857 CB GLU A 54 -7.994 19.331 -12.569 1.00 0.00 C ATOM 858 CG GLU A 54 -9.382 18.732 -12.313 1.00 0.00 C ATOM 859 CD GLU A 54 -9.308 17.227 -12.068 1.00 0.00 C ATOM 860 OE1 GLU A 54 -8.771 16.531 -12.957 1.00 0.00 O ATOM 861 OE2 GLU A 54 -9.808 16.796 -11.006 1.00 0.00 O ATOM 0 H GLU A 54 -9.001 20.203 -14.653 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.686 21.318 -12.122 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.521 18.810 -13.402 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.363 19.173 -11.694 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.836 19.220 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.028 18.931 -13.168 1.00 0.00 H new ATOM 868 N ILE A 55 -5.885 21.274 -13.892 1.00 0.00 N ATOM 869 CA ILE A 55 -4.526 21.791 -13.960 1.00 0.00 C ATOM 870 C ILE A 55 -4.537 23.317 -14.116 1.00 0.00 C ATOM 871 O ILE A 55 -3.658 23.994 -13.580 1.00 0.00 O ATOM 872 CB ILE A 55 -3.761 21.085 -15.098 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.620 19.565 -14.876 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.375 21.702 -15.318 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.858 19.158 -13.609 1.00 0.00 C ATOM 0 H ILE A 55 -6.175 20.763 -14.726 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.003 21.577 -13.028 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.366 21.237 -15.992 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.617 19.126 -14.838 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.114 19.133 -15.739 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.868 21.177 -16.128 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.483 22.755 -15.579 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.788 21.613 -14.404 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.814 18.071 -13.544 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.846 19.561 -13.648 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.372 19.553 -12.733 1.00 0.00 H new ATOM 887 N ASP A 56 -5.510 23.876 -14.838 1.00 0.00 N ATOM 888 CA ASP A 56 -5.543 25.297 -15.153 1.00 0.00 C ATOM 889 C ASP A 56 -6.060 26.109 -13.960 1.00 0.00 C ATOM 890 O ASP A 56 -7.120 26.726 -14.028 1.00 0.00 O ATOM 891 CB ASP A 56 -6.361 25.532 -16.428 1.00 0.00 C ATOM 892 CG ASP A 56 -6.295 26.977 -16.918 1.00 0.00 C ATOM 893 OD1 ASP A 56 -5.572 27.781 -16.289 1.00 0.00 O ATOM 894 OD2 ASP A 56 -6.985 27.256 -17.923 1.00 0.00 O ATOM 0 H ASP A 56 -6.297 23.351 -15.219 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.529 25.647 -15.348 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.998 24.870 -17.214 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.401 25.264 -16.241 1.00 0.00 H new ATOM 899 N LYS A 57 -5.273 26.154 -12.885 1.00 0.00 N ATOM 900 CA LYS A 57 -5.544 26.917 -11.673 1.00 0.00 C ATOM 901 C LYS A 57 -5.932 28.381 -11.938 1.00 0.00 C ATOM 902 O LYS A 57 -6.704 28.949 -11.169 1.00 0.00 O ATOM 903 CB LYS A 57 -4.316 26.874 -10.748 1.00 0.00 C ATOM 904 CG LYS A 57 -3.818 25.466 -10.389 1.00 0.00 C ATOM 905 CD LYS A 57 -4.911 24.611 -9.732 1.00 0.00 C ATOM 906 CE LYS A 57 -4.348 23.284 -9.213 1.00 0.00 C ATOM 907 NZ LYS A 57 -3.911 22.413 -10.317 1.00 0.00 N ATOM 0 H LYS A 57 -4.395 25.638 -12.836 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.405 26.446 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.502 27.419 -11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.557 27.403 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.463 24.968 -11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.967 25.546 -9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.361 25.164 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.704 24.414 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.507 23.480 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.108 22.771 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.567 21.510 -9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.712 22.234 -10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.145 22.879 -10.844 1.00 0.00 H new ATOM 951 N GLY A 61 -8.163 29.039 -19.838 1.00 0.00 N ATOM 952 CA GLY A 61 -8.345 28.022 -20.870 1.00 0.00 C ATOM 953 C GLY A 61 -7.046 27.499 -21.487 1.00 0.00 C ATOM 954 O GLY A 61 -7.041 27.101 -22.650 1.00 0.00 O ATOM 0 HA2 GLY A 61 -8.892 27.182 -20.441 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.967 28.436 -21.663 1.00 0.00 H new ATOM 958 N THR A 62 -5.947 27.485 -20.728 1.00 0.00 N ATOM 959 CA THR A 62 -4.621 27.138 -21.218 1.00 0.00 C ATOM 960 C THR A 62 -3.786 26.681 -20.023 1.00 0.00 C ATOM 961 O THR A 62 -4.146 26.959 -18.881 1.00 0.00 O ATOM 962 CB THR A 62 -3.954 28.348 -21.895 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.965 29.458 -21.023 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.597 28.782 -23.215 1.00 0.00 C ATOM 0 H THR A 62 -5.960 27.720 -19.736 1.00 0.00 H new ATOM 0 HA THR A 62 -4.697 26.344 -21.961 1.00 0.00 H new ATOM 0 HB THR A 62 -2.942 28.015 -22.125 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.537 30.223 -21.462 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.059 29.641 -23.617 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.553 27.960 -23.929 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.638 29.055 -23.040 1.00 0.00 H new ATOM 972 N ILE A 63 -2.681 25.978 -20.274 1.00 0.00 N ATOM 973 CA ILE A 63 -1.762 25.527 -19.243 1.00 0.00 C ATOM 974 C ILE A 63 -0.551 26.467 -19.226 1.00 0.00 C ATOM 975 O ILE A 63 0.295 26.420 -20.121 1.00 0.00 O ATOM 976 CB ILE A 63 -1.355 24.063 -19.490 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.539 23.127 -19.787 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.541 23.533 -18.306 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.712 23.233 -18.810 1.00 0.00 C ATOM 0 H ILE A 63 -2.400 25.705 -21.216 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.242 25.558 -18.265 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.743 24.067 -20.392 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.904 23.336 -20.793 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.178 22.099 -19.787 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.259 22.497 -18.493 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.358 24.137 -18.183 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.142 23.588 -17.398 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.495 22.534 -19.104 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.370 22.992 -17.804 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.107 24.249 -18.825 1.00 0.00 H new ATOM 991 N ASP A 64 -0.461 27.325 -18.208 1.00 0.00 N ATOM 992 CA ASP A 64 0.729 28.125 -17.944 1.00 0.00 C ATOM 993 C ASP A 64 1.896 27.210 -17.556 1.00 0.00 C ATOM 994 O ASP A 64 1.679 26.122 -17.023 1.00 0.00 O ATOM 995 CB ASP A 64 0.432 29.131 -16.822 1.00 0.00 C ATOM 996 CG ASP A 64 1.693 29.860 -16.372 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.073 30.822 -17.072 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.290 29.404 -15.371 1.00 0.00 O ATOM 0 H ASP A 64 -1.217 27.483 -17.542 1.00 0.00 H new ATOM 0 HA ASP A 64 1.007 28.675 -18.843 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.304 29.856 -17.169 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.010 28.610 -15.973 1.00 0.00 H new ATOM 1003 N PHE A 65 3.134 27.665 -17.778 1.00 0.00 N ATOM 1004 CA PHE A 65 4.343 26.937 -17.399 1.00 0.00 C ATOM 1005 C PHE A 65 4.256 26.329 -15.997 1.00 0.00 C ATOM 1006 O PHE A 65 4.479 25.133 -15.841 1.00 0.00 O ATOM 1007 CB PHE A 65 5.582 27.830 -17.536 1.00 0.00 C ATOM 1008 CG PHE A 65 6.849 27.202 -16.977 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.272 25.940 -17.435 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.532 27.818 -15.912 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.361 25.294 -16.824 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.640 27.184 -15.321 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.057 25.924 -15.779 1.00 0.00 C ATOM 0 H PHE A 65 3.323 28.559 -18.231 1.00 0.00 H new ATOM 0 HA PHE A 65 4.436 26.101 -18.093 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.736 28.064 -18.589 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.398 28.774 -17.024 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.758 25.466 -18.259 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.205 28.780 -15.547 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.663 24.312 -17.158 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.171 27.667 -14.514 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.911 25.440 -15.329 1.00 0.00 H new ATOM 1023 N GLU A 66 3.910 27.115 -14.974 1.00 0.00 N ATOM 1024 CA GLU A 66 3.857 26.598 -13.611 1.00 0.00 C ATOM 1025 C GLU A 66 2.774 25.523 -13.465 1.00 0.00 C ATOM 1026 O GLU A 66 2.935 24.562 -12.713 1.00 0.00 O ATOM 1027 CB GLU A 66 3.645 27.745 -12.617 1.00 0.00 C ATOM 1028 CG GLU A 66 4.796 28.765 -12.639 1.00 0.00 C ATOM 1029 CD GLU A 66 6.151 28.172 -12.251 1.00 0.00 C ATOM 1030 OE1 GLU A 66 6.158 27.256 -11.402 1.00 0.00 O ATOM 1031 OE2 GLU A 66 7.160 28.655 -12.809 1.00 0.00 O ATOM 0 H GLU A 66 3.665 28.101 -15.065 1.00 0.00 H new ATOM 0 HA GLU A 66 4.812 26.124 -13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.709 28.253 -12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.546 27.336 -11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.870 29.194 -13.638 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.559 29.582 -11.958 1.00 0.00 H new ATOM 1038 N GLU A 67 1.664 25.660 -14.192 1.00 0.00 N ATOM 1039 CA GLU A 67 0.601 24.669 -14.175 1.00 0.00 C ATOM 1040 C GLU A 67 1.099 23.376 -14.833 1.00 0.00 C ATOM 1041 O GLU A 67 0.876 22.283 -14.315 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.647 25.244 -14.856 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.155 26.503 -14.133 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.329 27.152 -14.858 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.304 27.137 -16.108 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.227 27.656 -14.151 1.00 0.00 O ATOM 0 H GLU A 67 1.483 26.456 -14.803 1.00 0.00 H new ATOM 0 HA GLU A 67 0.321 24.422 -13.151 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.417 25.487 -15.893 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.434 24.490 -14.872 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.457 26.240 -13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.341 27.223 -14.046 1.00 0.00 H new ATOM 1053 N PHE A 68 1.821 23.497 -15.951 1.00 0.00 N ATOM 1054 CA PHE A 68 2.477 22.362 -16.591 1.00 0.00 C ATOM 1055 C PHE A 68 3.469 21.703 -15.626 1.00 0.00 C ATOM 1056 O PHE A 68 3.483 20.483 -15.482 1.00 0.00 O ATOM 1057 CB PHE A 68 3.167 22.809 -17.885 1.00 0.00 C ATOM 1058 CG PHE A 68 3.864 21.686 -18.625 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.117 20.794 -19.418 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.262 21.548 -18.542 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.766 19.760 -20.117 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.911 20.537 -19.272 1.00 0.00 C ATOM 1063 CZ PHE A 68 5.163 19.630 -20.038 1.00 0.00 C ATOM 0 H PHE A 68 1.965 24.384 -16.434 1.00 0.00 H new ATOM 0 HA PHE A 68 1.724 21.618 -16.852 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.425 23.261 -18.544 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.897 23.583 -17.648 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.045 20.904 -19.490 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.835 22.218 -17.918 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.191 19.067 -20.714 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.988 20.458 -19.243 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.661 18.831 -20.567 1.00 0.00 H new ATOM 1073 N LEU A 69 4.283 22.510 -14.942 1.00 0.00 N ATOM 1074 CA LEU A 69 5.210 22.061 -13.909 1.00 0.00 C ATOM 1075 C LEU A 69 4.436 21.258 -12.858 1.00 0.00 C ATOM 1076 O LEU A 69 4.833 20.153 -12.495 1.00 0.00 O ATOM 1077 CB LEU A 69 5.931 23.281 -13.302 1.00 0.00 C ATOM 1078 CG LEU A 69 7.372 23.029 -12.825 1.00 0.00 C ATOM 1079 CD1 LEU A 69 7.926 24.338 -12.247 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.479 21.923 -11.771 1.00 0.00 C ATOM 0 H LEU A 69 4.314 23.518 -15.097 1.00 0.00 H new ATOM 0 HA LEU A 69 5.974 21.408 -14.331 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.947 24.078 -14.045 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.345 23.644 -12.457 1.00 0.00 H new ATOM 0 HG LEU A 69 7.949 22.693 -13.686 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.948 24.180 -11.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.918 25.108 -13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.306 24.657 -11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.522 21.798 -11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.888 22.195 -10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.104 20.988 -12.186 1.00 0.00 H new ATOM 1092 N THR A 70 3.303 21.790 -12.392 1.00 0.00 N ATOM 1093 CA THR A 70 2.437 21.103 -11.441 1.00 0.00 C ATOM 1094 C THR A 70 1.969 19.753 -12.003 1.00 0.00 C ATOM 1095 O THR A 70 2.080 18.733 -11.324 1.00 0.00 O ATOM 1096 CB THR A 70 1.264 22.008 -11.030 1.00 0.00 C ATOM 1097 OG1 THR A 70 1.759 23.246 -10.558 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.438 21.380 -9.905 1.00 0.00 C ATOM 0 H THR A 70 2.963 22.712 -12.667 1.00 0.00 H new ATOM 0 HA THR A 70 3.007 20.886 -10.538 1.00 0.00 H new ATOM 0 HB THR A 70 0.635 22.144 -11.910 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.110 23.766 -11.311 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.382 22.047 -9.640 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.035 20.424 -10.240 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.072 21.221 -9.033 1.00 0.00 H new ATOM 1106 N MET A 71 1.460 19.726 -13.240 1.00 0.00 N ATOM 1107 CA MET A 71 1.042 18.486 -13.887 1.00 0.00 C ATOM 1108 C MET A 71 2.190 17.472 -13.877 1.00 0.00 C ATOM 1109 O MET A 71 2.020 16.336 -13.439 1.00 0.00 O ATOM 1110 CB MET A 71 0.570 18.768 -15.322 1.00 0.00 C ATOM 1111 CG MET A 71 -0.090 17.533 -15.952 1.00 0.00 C ATOM 1112 SD MET A 71 -0.455 17.631 -17.726 1.00 0.00 S ATOM 1113 CE MET A 71 1.212 17.674 -18.423 1.00 0.00 C ATOM 0 H MET A 71 1.329 20.559 -13.814 1.00 0.00 H new ATOM 0 HA MET A 71 0.206 18.060 -13.332 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.138 19.597 -15.317 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.419 19.078 -15.931 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.561 16.675 -15.784 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.022 17.336 -15.422 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.353 18.605 -18.972 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.945 17.613 -17.618 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.345 16.830 -19.100 1.00 0.00 H new ATOM 1123 N MET A 72 3.359 17.888 -14.365 1.00 0.00 N ATOM 1124 CA MET A 72 4.547 17.051 -14.407 1.00 0.00 C ATOM 1125 C MET A 72 4.861 16.516 -13.009 1.00 0.00 C ATOM 1126 O MET A 72 5.042 15.314 -12.841 1.00 0.00 O ATOM 1127 CB MET A 72 5.721 17.842 -14.995 1.00 0.00 C ATOM 1128 CG MET A 72 5.503 18.187 -16.479 1.00 0.00 C ATOM 1129 SD MET A 72 6.478 17.225 -17.668 1.00 0.00 S ATOM 1130 CE MET A 72 5.852 15.559 -17.361 1.00 0.00 C ATOM 0 H MET A 72 3.504 18.824 -14.744 1.00 0.00 H new ATOM 0 HA MET A 72 4.369 16.192 -15.054 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.859 18.762 -14.426 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.637 17.262 -14.889 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.447 18.053 -16.712 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.729 19.243 -16.623 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.319 14.861 -18.056 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.087 15.265 -16.338 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.771 15.544 -17.504 1.00 0.00 H new