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 5 THR OG1 : rot 144:sc= 1.71 USER MOD Set 1.2: A 8 GLN : amide:sc= 1.16 K(o=2.9,f=2) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0.26 (180deg=0.243) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -19:sc= 1.14 USER MOD Single : A 26 THR OG1 : rot 40:sc= 0.0162 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc=-0.00577 (180deg=-0.0894) USER MOD Single : A 36 MET CE :methyl -165:sc= -1.7 (180deg=-2.84) USER MOD Single : A 44 LYS NZ :NH3+ -115:sc= 0.0219 (180deg=-0.0883) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc=-0.00523 (180deg=-0.0538) USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= -0.369 (180deg=-0.982) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0.73 (180deg=0.541) USER MOD Single : A 51 MET CE :methyl -119:sc= -0.0049 (180deg=-0.131) USER MOD Single : A 53 SER OG : rot 73:sc= 1.19 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 36:sc= 0.618 USER MOD Single : A 70 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 71 MET CE :methyl 167:sc= -0.0253 (180deg=-0.265) USER MOD Single : A 72 MET CE :methyl -175:sc= 0 (180deg=-0.0662) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 5 15.386 17.220 -10.350 1.00 0.00 N ATOM 68 CA THR A 5 16.613 17.992 -10.274 1.00 0.00 C ATOM 69 C THR A 5 16.572 19.138 -11.287 1.00 0.00 C ATOM 70 O THR A 5 15.755 19.141 -12.207 1.00 0.00 O ATOM 71 CB THR A 5 17.816 17.077 -10.550 1.00 0.00 C ATOM 72 OG1 THR A 5 17.681 16.389 -11.779 1.00 0.00 O ATOM 73 CG2 THR A 5 18.012 16.054 -9.429 1.00 0.00 C ATOM 0 HA THR A 5 16.713 18.415 -9.274 1.00 0.00 H new ATOM 0 HB THR A 5 18.689 17.728 -10.601 1.00 0.00 H new ATOM 0 HG1 THR A 5 18.559 16.310 -12.208 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.871 15.424 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.184 16.575 -8.487 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.120 15.434 -9.343 1.00 0.00 H new ATOM 81 N GLU A 6 17.472 20.113 -11.127 1.00 0.00 N ATOM 82 CA GLU A 6 17.540 21.278 -11.997 1.00 0.00 C ATOM 83 C GLU A 6 17.554 20.839 -13.465 1.00 0.00 C ATOM 84 O GLU A 6 16.765 21.321 -14.270 1.00 0.00 O ATOM 85 CB GLU A 6 18.744 22.159 -11.637 1.00 0.00 C ATOM 86 CG GLU A 6 18.879 22.411 -10.126 1.00 0.00 C ATOM 87 CD GLU A 6 17.571 22.810 -9.446 1.00 0.00 C ATOM 88 OE1 GLU A 6 17.100 23.933 -9.727 1.00 0.00 O ATOM 89 OE2 GLU A 6 17.055 21.977 -8.666 1.00 0.00 O ATOM 0 H GLU A 6 18.173 20.111 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 6 16.650 21.889 -11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.655 21.685 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.653 23.115 -12.152 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.264 21.509 -9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.616 23.197 -9.963 1.00 0.00 H new ATOM 96 N GLU A 7 18.397 19.851 -13.767 1.00 0.00 N ATOM 97 CA GLU A 7 18.436 19.140 -15.039 1.00 0.00 C ATOM 98 C GLU A 7 17.026 18.791 -15.538 1.00 0.00 C ATOM 99 O GLU A 7 16.635 19.146 -16.648 1.00 0.00 O ATOM 100 CB GLU A 7 19.246 17.840 -14.884 1.00 0.00 C ATOM 101 CG GLU A 7 20.631 18.021 -14.245 1.00 0.00 C ATOM 102 CD GLU A 7 20.550 17.875 -12.730 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.446 16.714 -12.273 1.00 0.00 O ATOM 104 OE2 GLU A 7 20.491 18.931 -12.063 1.00 0.00 O ATOM 0 H GLU A 7 19.096 19.514 -13.106 1.00 0.00 H new ATOM 0 HA GLU A 7 18.908 19.798 -15.769 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.670 17.139 -14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.371 17.386 -15.867 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.323 17.282 -14.650 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.029 19.003 -14.500 1.00 0.00 H new ATOM 111 N GLN A 8 16.258 18.079 -14.714 1.00 0.00 N ATOM 112 CA GLN A 8 14.926 17.642 -15.089 1.00 0.00 C ATOM 113 C GLN A 8 14.009 18.849 -15.275 1.00 0.00 C ATOM 114 O GLN A 8 13.216 18.873 -16.211 1.00 0.00 O ATOM 115 CB GLN A 8 14.384 16.654 -14.056 1.00 0.00 C ATOM 116 CG GLN A 8 15.155 15.329 -14.103 1.00 0.00 C ATOM 117 CD GLN A 8 14.788 14.463 -12.905 1.00 0.00 C ATOM 118 OE1 GLN A 8 13.756 13.803 -12.899 1.00 0.00 O ATOM 119 NE2 GLN A 8 15.609 14.503 -11.862 1.00 0.00 N ATOM 0 H GLN A 8 16.544 17.794 -13.777 1.00 0.00 H new ATOM 0 HA GLN A 8 14.970 17.119 -16.044 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.460 17.087 -13.059 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.326 16.470 -14.244 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.926 14.799 -15.028 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.227 15.524 -14.105 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.460 15.064 -11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.389 13.973 -11.019 1.00 0.00 H new ATOM 128 N LYS A 9 14.116 19.870 -14.421 1.00 0.00 N ATOM 129 CA LYS A 9 13.338 21.089 -14.607 1.00 0.00 C ATOM 130 C LYS A 9 13.676 21.762 -15.948 1.00 0.00 C ATOM 131 O LYS A 9 12.771 22.213 -16.652 1.00 0.00 O ATOM 132 CB LYS A 9 13.492 22.021 -13.400 1.00 0.00 C ATOM 133 CG LYS A 9 12.924 21.351 -12.138 1.00 0.00 C ATOM 134 CD LYS A 9 12.832 22.311 -10.944 1.00 0.00 C ATOM 135 CE LYS A 9 14.221 22.750 -10.470 1.00 0.00 C ATOM 136 NZ LYS A 9 14.145 23.602 -9.272 1.00 0.00 N ATOM 0 H LYS A 9 14.727 19.874 -13.604 1.00 0.00 H new ATOM 0 HA LYS A 9 12.281 20.829 -14.660 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.544 22.263 -13.250 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.972 22.960 -13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.932 20.956 -12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.553 20.503 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.248 23.188 -11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.303 21.825 -10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.826 21.870 -10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.724 23.292 -11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.090 23.975 -9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.493 24.393 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.798 23.041 -8.468 1.00 0.00 H new ATOM 150 N GLN A 10 14.955 21.793 -16.339 1.00 0.00 N ATOM 151 CA GLN A 10 15.351 22.255 -17.665 1.00 0.00 C ATOM 152 C GLN A 10 14.651 21.415 -18.739 1.00 0.00 C ATOM 153 O GLN A 10 14.002 21.973 -19.621 1.00 0.00 O ATOM 154 CB GLN A 10 16.879 22.237 -17.845 1.00 0.00 C ATOM 155 CG GLN A 10 17.591 23.232 -16.919 1.00 0.00 C ATOM 156 CD GLN A 10 19.108 23.064 -16.965 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.737 22.758 -15.958 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.712 23.257 -18.134 1.00 0.00 N ATOM 0 H GLN A 10 15.734 21.501 -15.749 1.00 0.00 H new ATOM 0 HA GLN A 10 15.037 23.293 -17.773 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.253 21.232 -17.649 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.122 22.472 -18.881 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.329 24.250 -17.209 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.241 23.092 -15.896 1.00 0.00 H new ATOM 0 HE21 GLN A 10 19.164 23.511 -18.956 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.724 23.151 -18.209 1.00 0.00 H new ATOM 167 N GLU A 11 14.738 20.083 -18.652 1.00 0.00 N ATOM 168 CA GLU A 11 14.057 19.196 -19.596 1.00 0.00 C ATOM 169 C GLU A 11 12.558 19.526 -19.687 1.00 0.00 C ATOM 170 O GLU A 11 12.013 19.666 -20.781 1.00 0.00 O ATOM 171 CB GLU A 11 14.278 17.726 -19.214 1.00 0.00 C ATOM 172 CG GLU A 11 15.748 17.301 -19.356 1.00 0.00 C ATOM 173 CD GLU A 11 15.987 15.920 -18.750 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.448 14.951 -19.325 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.692 15.860 -17.718 1.00 0.00 O ATOM 0 H GLU A 11 15.275 19.596 -17.935 1.00 0.00 H new ATOM 0 HA GLU A 11 14.489 19.358 -20.583 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.954 17.568 -18.185 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.656 17.091 -19.845 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.026 17.291 -20.410 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.389 18.032 -18.864 1.00 0.00 H new ATOM 182 N ILE A 12 11.890 19.669 -18.540 1.00 0.00 N ATOM 183 CA ILE A 12 10.481 20.037 -18.463 1.00 0.00 C ATOM 184 C ILE A 12 10.250 21.378 -19.164 1.00 0.00 C ATOM 185 O ILE A 12 9.309 21.499 -19.946 1.00 0.00 O ATOM 186 CB ILE A 12 10.007 20.022 -16.995 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.977 18.562 -16.498 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.610 20.636 -16.820 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.804 18.444 -14.982 1.00 0.00 C ATOM 0 H ILE A 12 12.323 19.529 -17.627 1.00 0.00 H new ATOM 0 HA ILE A 12 9.873 19.302 -18.991 1.00 0.00 H new ATOM 0 HB ILE A 12 10.706 20.626 -16.416 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.162 18.034 -16.992 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.902 18.066 -16.791 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.326 20.600 -15.768 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.623 21.673 -17.157 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.888 20.072 -17.411 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.791 17.392 -14.698 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.633 18.945 -14.481 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.865 18.911 -14.685 1.00 0.00 H new ATOM 201 N ARG A 13 11.089 22.387 -18.912 1.00 0.00 N ATOM 202 CA ARG A 13 10.961 23.673 -19.585 1.00 0.00 C ATOM 203 C ARG A 13 11.107 23.516 -21.103 1.00 0.00 C ATOM 204 O ARG A 13 10.308 24.066 -21.856 1.00 0.00 O ATOM 205 CB ARG A 13 11.950 24.694 -19.005 1.00 0.00 C ATOM 206 CG ARG A 13 11.877 26.068 -19.693 1.00 0.00 C ATOM 207 CD ARG A 13 10.509 26.744 -19.544 1.00 0.00 C ATOM 208 NE ARG A 13 10.470 28.020 -20.268 1.00 0.00 N ATOM 209 CZ ARG A 13 9.442 28.880 -20.230 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.389 28.634 -19.443 1.00 0.00 N ATOM 211 NH2 ARG A 13 9.475 29.985 -20.981 1.00 0.00 N ATOM 0 H ARG A 13 11.861 22.334 -18.247 1.00 0.00 H new ATOM 0 HA ARG A 13 9.959 24.061 -19.403 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.752 24.817 -17.940 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.963 24.302 -19.098 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.645 26.719 -19.274 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.103 25.949 -20.753 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.730 26.083 -19.923 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.297 26.914 -18.489 1.00 0.00 H new ATOM 0 HE ARG A 13 11.278 28.269 -20.838 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.367 27.791 -18.870 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.608 29.290 -19.416 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.280 30.171 -21.580 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.695 30.642 -20.956 1.00 0.00 H new ATOM 225 N GLU A 14 12.114 22.768 -21.561 1.00 0.00 N ATOM 226 CA GLU A 14 12.327 22.515 -22.981 1.00 0.00 C ATOM 227 C GLU A 14 11.084 21.859 -23.598 1.00 0.00 C ATOM 228 O GLU A 14 10.552 22.343 -24.597 1.00 0.00 O ATOM 229 CB GLU A 14 13.582 21.653 -23.169 1.00 0.00 C ATOM 230 CG GLU A 14 14.855 22.428 -22.796 1.00 0.00 C ATOM 231 CD GLU A 14 16.063 21.502 -22.679 1.00 0.00 C ATOM 232 OE1 GLU A 14 16.383 20.862 -23.703 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.639 21.449 -21.570 1.00 0.00 O ATOM 0 H GLU A 14 12.803 22.322 -20.955 1.00 0.00 H new ATOM 0 HA GLU A 14 12.487 23.459 -23.501 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.506 20.757 -22.553 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.646 21.322 -24.206 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.052 23.190 -23.550 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.701 22.948 -21.850 1.00 0.00 H new ATOM 240 N ALA A 15 10.606 20.770 -22.988 1.00 0.00 N ATOM 241 CA ALA A 15 9.397 20.085 -23.430 1.00 0.00 C ATOM 242 C ALA A 15 8.218 21.060 -23.486 1.00 0.00 C ATOM 243 O ALA A 15 7.529 21.153 -24.499 1.00 0.00 O ATOM 244 CB ALA A 15 9.100 18.908 -22.497 1.00 0.00 C ATOM 0 H ALA A 15 11.049 20.342 -22.175 1.00 0.00 H new ATOM 0 HA ALA A 15 9.552 19.697 -24.437 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.196 18.399 -22.830 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.937 18.210 -22.514 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.955 19.276 -21.481 1.00 0.00 H new ATOM 250 N PHE A 16 8.009 21.807 -22.398 1.00 0.00 N ATOM 251 CA PHE A 16 6.970 22.818 -22.306 1.00 0.00 C ATOM 252 C PHE A 16 7.041 23.775 -23.493 1.00 0.00 C ATOM 253 O PHE A 16 6.056 23.959 -24.201 1.00 0.00 O ATOM 254 CB PHE A 16 7.076 23.585 -20.982 1.00 0.00 C ATOM 255 CG PHE A 16 6.028 24.667 -20.823 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.744 24.328 -20.366 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.302 25.989 -21.221 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.744 25.307 -20.274 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.287 26.959 -21.174 1.00 0.00 C ATOM 260 CZ PHE A 16 4.012 26.621 -20.687 1.00 0.00 C ATOM 0 H PHE A 16 8.568 21.720 -21.549 1.00 0.00 H new ATOM 0 HA PHE A 16 6.003 22.316 -22.332 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.987 22.880 -20.155 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.066 24.036 -20.911 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.526 23.309 -20.084 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.291 26.257 -21.562 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.769 25.050 -19.886 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.486 27.965 -21.512 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.239 27.373 -20.631 1.00 0.00 H new ATOM 270 N ASP A 17 8.213 24.378 -23.702 1.00 0.00 N ATOM 271 CA ASP A 17 8.458 25.312 -24.787 1.00 0.00 C ATOM 272 C ASP A 17 8.113 24.674 -26.133 1.00 0.00 C ATOM 273 O ASP A 17 7.387 25.272 -26.922 1.00 0.00 O ATOM 274 CB ASP A 17 9.914 25.785 -24.749 1.00 0.00 C ATOM 275 CG ASP A 17 10.206 26.748 -25.893 1.00 0.00 C ATOM 276 OD1 ASP A 17 9.881 27.943 -25.725 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.748 26.271 -26.914 1.00 0.00 O ATOM 0 H ASP A 17 9.028 24.224 -23.108 1.00 0.00 H new ATOM 0 HA ASP A 17 7.814 26.182 -24.661 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.116 26.275 -23.796 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.581 24.925 -24.813 1.00 0.00 H new ATOM 282 N LEU A 18 8.610 23.462 -26.390 1.00 0.00 N ATOM 283 CA LEU A 18 8.304 22.754 -27.625 1.00 0.00 C ATOM 284 C LEU A 18 6.793 22.607 -27.802 1.00 0.00 C ATOM 285 O LEU A 18 6.263 22.948 -28.856 1.00 0.00 O ATOM 286 CB LEU A 18 9.023 21.399 -27.668 1.00 0.00 C ATOM 287 CG LEU A 18 8.693 20.624 -28.960 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.946 19.947 -29.513 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.622 19.548 -28.726 1.00 0.00 C ATOM 0 H LEU A 18 9.226 22.954 -25.756 1.00 0.00 H new ATOM 0 HA LEU A 18 8.674 23.342 -28.465 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.100 21.555 -27.601 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.733 20.804 -26.802 1.00 0.00 H new ATOM 0 HG LEU A 18 8.310 21.353 -29.674 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.694 19.405 -30.425 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.699 20.703 -29.736 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.340 19.250 -28.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.420 19.026 -29.661 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.979 18.835 -27.983 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.706 20.018 -28.367 1.00 0.00 H new ATOM 301 N PHE A 19 6.099 22.079 -26.790 1.00 0.00 N ATOM 302 CA PHE A 19 4.658 21.888 -26.882 1.00 0.00 C ATOM 303 C PHE A 19 3.951 23.226 -27.106 1.00 0.00 C ATOM 304 O PHE A 19 3.038 23.319 -27.926 1.00 0.00 O ATOM 305 CB PHE A 19 4.121 21.194 -25.623 1.00 0.00 C ATOM 306 CG PHE A 19 4.650 19.796 -25.340 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.789 18.852 -26.377 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.854 19.392 -24.006 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.203 17.540 -26.090 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.216 18.065 -23.715 1.00 0.00 C ATOM 311 CZ PHE A 19 5.425 17.147 -24.759 1.00 0.00 C ATOM 0 H PHE A 19 6.512 21.780 -25.907 1.00 0.00 H new ATOM 0 HA PHE A 19 4.452 21.245 -27.738 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.347 21.825 -24.763 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.035 21.139 -25.701 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.576 19.138 -27.397 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.732 20.104 -23.204 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.351 16.833 -26.893 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.334 17.751 -22.688 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.755 16.143 -24.539 1.00 0.00 H new ATOM 321 N ASP A 20 4.374 24.270 -26.392 1.00 0.00 N ATOM 322 CA ASP A 20 3.881 25.627 -26.569 1.00 0.00 C ATOM 323 C ASP A 20 4.467 26.227 -27.850 1.00 0.00 C ATOM 324 O ASP A 20 5.165 27.237 -27.818 1.00 0.00 O ATOM 325 CB ASP A 20 4.212 26.478 -25.334 1.00 0.00 C ATOM 326 CG ASP A 20 3.627 27.889 -25.409 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.880 28.171 -26.372 1.00 0.00 O ATOM 328 OD2 ASP A 20 3.942 28.674 -24.488 1.00 0.00 O ATOM 0 H ASP A 20 5.082 24.189 -25.662 1.00 0.00 H new ATOM 0 HA ASP A 20 2.796 25.612 -26.672 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.831 25.979 -24.443 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.294 26.544 -25.224 1.00 0.00 H new ATOM 333 N THR A 21 4.109 25.648 -28.995 1.00 0.00 N ATOM 334 CA THR A 21 4.482 26.157 -30.307 1.00 0.00 C ATOM 335 C THR A 21 4.027 27.611 -30.509 1.00 0.00 C ATOM 336 O THR A 21 4.618 28.332 -31.309 1.00 0.00 O ATOM 337 CB THR A 21 3.931 25.231 -31.402 1.00 0.00 C ATOM 338 OG1 THR A 21 2.522 25.126 -31.331 1.00 0.00 O ATOM 339 CG2 THR A 21 4.531 23.824 -31.314 1.00 0.00 C ATOM 0 H THR A 21 3.544 24.800 -29.034 1.00 0.00 H new ATOM 0 HA THR A 21 5.570 26.165 -30.375 1.00 0.00 H new ATOM 0 HB THR A 21 4.216 25.683 -32.352 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.217 25.408 -30.443 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.115 23.201 -32.106 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.613 23.882 -31.429 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.292 23.386 -30.345 1.00 0.00 H new ATOM 377 N GLY A 25 3.977 31.373 -23.336 1.00 0.00 N ATOM 378 CA GLY A 25 4.143 30.833 -21.990 1.00 0.00 C ATOM 379 C GLY A 25 2.959 29.990 -21.498 1.00 0.00 C ATOM 380 O GLY A 25 2.753 29.874 -20.291 1.00 0.00 O ATOM 0 HA2 GLY A 25 5.045 30.221 -21.965 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.299 31.659 -21.296 1.00 0.00 H new ATOM 384 N THR A 26 2.200 29.381 -22.412 1.00 0.00 N ATOM 385 CA THR A 26 0.974 28.649 -22.127 1.00 0.00 C ATOM 386 C THR A 26 0.804 27.536 -23.162 1.00 0.00 C ATOM 387 O THR A 26 0.753 27.812 -24.357 1.00 0.00 O ATOM 388 CB THR A 26 -0.241 29.594 -22.152 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.173 30.504 -23.227 1.00 0.00 O ATOM 390 CG2 THR A 26 -0.405 30.390 -20.853 1.00 0.00 C ATOM 0 H THR A 26 2.435 29.387 -23.405 1.00 0.00 H new ATOM 0 HA THR A 26 1.040 28.213 -21.130 1.00 0.00 H new ATOM 0 HB THR A 26 -1.106 28.942 -22.272 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.162 30.044 -24.025 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.278 31.038 -20.931 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.538 29.701 -20.019 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.484 30.998 -20.684 1.00 0.00 H new ATOM 398 N ILE A 27 0.703 26.279 -22.725 1.00 0.00 N ATOM 399 CA ILE A 27 0.316 25.200 -23.624 1.00 0.00 C ATOM 400 C ILE A 27 -1.206 25.263 -23.737 1.00 0.00 C ATOM 401 O ILE A 27 -1.901 24.981 -22.761 1.00 0.00 O ATOM 402 CB ILE A 27 0.791 23.837 -23.101 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.322 23.784 -23.104 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.269 22.710 -24.001 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.820 22.521 -22.408 1.00 0.00 C ATOM 0 H ILE A 27 0.883 25.989 -21.764 1.00 0.00 H new ATOM 0 HA ILE A 27 0.782 25.317 -24.602 1.00 0.00 H new ATOM 0 HB ILE A 27 0.410 23.708 -22.088 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.690 23.809 -24.130 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.722 24.664 -22.601 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.614 21.749 -23.618 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.821 22.727 -24.010 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.643 22.852 -25.015 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.910 22.504 -22.422 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.470 22.512 -21.376 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.437 21.643 -22.929 1.00 0.00 H new ATOM 417 N ASP A 28 -1.735 25.638 -24.903 1.00 0.00 N ATOM 418 CA ASP A 28 -3.170 25.575 -25.148 1.00 0.00 C ATOM 419 C ASP A 28 -3.638 24.118 -25.075 1.00 0.00 C ATOM 420 O ASP A 28 -2.897 23.218 -25.462 1.00 0.00 O ATOM 421 CB ASP A 28 -3.492 26.184 -26.518 1.00 0.00 C ATOM 422 CG ASP A 28 -4.987 26.126 -26.822 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.420 25.071 -27.337 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.671 27.127 -26.520 1.00 0.00 O ATOM 0 H ASP A 28 -1.188 25.988 -25.690 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.698 26.149 -24.386 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.155 27.220 -26.544 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.942 25.650 -27.293 1.00 0.00 H new ATOM 429 N ALA A 29 -4.872 23.885 -24.620 1.00 0.00 N ATOM 430 CA ALA A 29 -5.502 22.570 -24.576 1.00 0.00 C ATOM 431 C ALA A 29 -5.183 21.704 -25.803 1.00 0.00 C ATOM 432 O ALA A 29 -4.821 20.538 -25.659 1.00 0.00 O ATOM 433 CB ALA A 29 -7.017 22.745 -24.423 1.00 0.00 C ATOM 0 H ALA A 29 -5.473 24.628 -24.263 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.091 22.039 -23.717 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.495 21.766 -24.389 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.230 23.284 -23.500 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.406 23.309 -25.271 1.00 0.00 H new ATOM 439 N LYS A 30 -5.294 22.272 -27.007 1.00 0.00 N ATOM 440 CA LYS A 30 -4.984 21.570 -28.247 1.00 0.00 C ATOM 441 C LYS A 30 -3.526 21.094 -28.259 1.00 0.00 C ATOM 442 O LYS A 30 -3.243 19.936 -28.563 1.00 0.00 O ATOM 443 CB LYS A 30 -5.264 22.483 -29.447 1.00 0.00 C ATOM 444 CG LYS A 30 -6.748 22.862 -29.542 1.00 0.00 C ATOM 445 CD LYS A 30 -6.973 23.811 -30.725 1.00 0.00 C ATOM 446 CE LYS A 30 -8.449 24.209 -30.814 1.00 0.00 C ATOM 447 NZ LYS A 30 -8.694 25.120 -31.946 1.00 0.00 N ATOM 0 H LYS A 30 -5.603 23.234 -27.145 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.622 20.689 -28.316 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.663 23.388 -29.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.958 21.981 -30.365 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.354 21.964 -29.665 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.070 23.339 -28.616 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.356 24.702 -30.608 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.663 23.328 -31.652 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.062 23.315 -30.926 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.754 24.691 -29.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.703 25.370 -31.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.127 25.983 -31.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.426 24.650 -32.834 1.00 0.00 H new ATOM 461 N GLU A 31 -2.595 21.986 -27.915 1.00 0.00 N ATOM 462 CA GLU A 31 -1.180 21.662 -27.847 1.00 0.00 C ATOM 463 C GLU A 31 -0.951 20.564 -26.800 1.00 0.00 C ATOM 464 O GLU A 31 -0.183 19.634 -27.035 1.00 0.00 O ATOM 465 CB GLU A 31 -0.363 22.924 -27.535 1.00 0.00 C ATOM 466 CG GLU A 31 -0.430 23.984 -28.643 1.00 0.00 C ATOM 467 CD GLU A 31 0.305 25.262 -28.239 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.083 25.827 -27.192 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.235 25.658 -28.977 1.00 0.00 O ATOM 0 H GLU A 31 -2.808 22.955 -27.676 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.844 21.283 -28.812 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.724 23.360 -26.603 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.678 22.643 -27.374 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.008 23.584 -29.558 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.472 24.216 -28.864 1.00 0.00 H new ATOM 476 N LEU A 32 -1.628 20.649 -25.650 1.00 0.00 N ATOM 477 CA LEU A 32 -1.503 19.616 -24.625 1.00 0.00 C ATOM 478 C LEU A 32 -2.024 18.275 -25.155 1.00 0.00 C ATOM 479 O LEU A 32 -1.393 17.242 -24.953 1.00 0.00 O ATOM 480 CB LEU A 32 -2.213 20.020 -23.325 1.00 0.00 C ATOM 481 CG LEU A 32 -1.604 19.316 -22.095 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.299 19.968 -21.614 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.636 19.312 -20.963 1.00 0.00 C ATOM 0 H LEU A 32 -2.260 21.413 -25.410 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.446 19.502 -24.386 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.146 21.100 -23.195 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.272 19.773 -23.398 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.350 18.298 -22.390 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.080 19.427 -20.747 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.441 19.934 -22.414 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.490 21.005 -21.340 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.215 18.816 -20.088 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.899 20.338 -20.707 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.530 18.779 -21.287 1.00 0.00 H new ATOM 495 N LYS A 33 -3.172 18.273 -25.836 1.00 0.00 N ATOM 496 CA LYS A 33 -3.713 17.079 -26.472 1.00 0.00 C ATOM 497 C LYS A 33 -2.695 16.485 -27.451 1.00 0.00 C ATOM 498 O LYS A 33 -2.416 15.288 -27.391 1.00 0.00 O ATOM 499 CB LYS A 33 -5.074 17.402 -27.101 1.00 0.00 C ATOM 500 CG LYS A 33 -5.663 16.223 -27.890 1.00 0.00 C ATOM 501 CD LYS A 33 -7.021 16.554 -28.532 1.00 0.00 C ATOM 502 CE LYS A 33 -8.124 16.937 -27.535 1.00 0.00 C ATOM 503 NZ LYS A 33 -8.340 15.896 -26.514 1.00 0.00 N ATOM 0 H LYS A 33 -3.751 19.104 -25.960 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.893 16.301 -25.730 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.772 17.692 -26.316 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.967 18.260 -27.765 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.961 15.926 -28.669 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.780 15.368 -27.224 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.885 17.375 -29.236 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.355 15.692 -29.109 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.859 17.874 -27.045 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.054 17.112 -28.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.149 16.159 -25.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.536 14.987 -26.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.488 15.806 -25.924 1.00 0.00 H new ATOM 517 N VAL A 34 -2.121 17.310 -28.332 1.00 0.00 N ATOM 518 CA VAL A 34 -1.048 16.870 -29.220 1.00 0.00 C ATOM 519 C VAL A 34 0.092 16.249 -28.404 1.00 0.00 C ATOM 520 O VAL A 34 0.549 15.152 -28.724 1.00 0.00 O ATOM 521 CB VAL A 34 -0.568 18.034 -30.107 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.741 17.698 -30.839 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.639 18.378 -31.149 1.00 0.00 C ATOM 0 H VAL A 34 -2.385 18.289 -28.447 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.428 16.097 -29.889 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.388 18.885 -29.449 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.043 18.547 -31.453 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.521 17.483 -30.109 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.589 16.826 -31.475 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.290 19.202 -31.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.831 17.507 -31.775 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.559 18.670 -30.642 1.00 0.00 H new ATOM 533 N ALA A 35 0.547 16.933 -27.350 1.00 0.00 N ATOM 534 CA ALA A 35 1.602 16.434 -26.480 1.00 0.00 C ATOM 535 C ALA A 35 1.259 15.038 -25.959 1.00 0.00 C ATOM 536 O ALA A 35 2.020 14.097 -26.160 1.00 0.00 O ATOM 537 CB ALA A 35 1.856 17.413 -25.329 1.00 0.00 C ATOM 0 H ALA A 35 0.190 17.850 -27.080 1.00 0.00 H new ATOM 0 HA ALA A 35 2.521 16.353 -27.060 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.648 17.024 -24.689 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.158 18.379 -25.733 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.943 17.533 -24.745 1.00 0.00 H new ATOM 543 N MET A 36 0.108 14.889 -25.304 1.00 0.00 N ATOM 544 CA MET A 36 -0.353 13.616 -24.769 1.00 0.00 C ATOM 545 C MET A 36 -0.424 12.545 -25.856 1.00 0.00 C ATOM 546 O MET A 36 0.013 11.414 -25.634 1.00 0.00 O ATOM 547 CB MET A 36 -1.689 13.819 -24.049 1.00 0.00 C ATOM 548 CG MET A 36 -1.416 14.351 -22.636 1.00 0.00 C ATOM 549 SD MET A 36 -2.874 14.743 -21.646 1.00 0.00 S ATOM 550 CE MET A 36 -3.547 16.065 -22.665 1.00 0.00 C ATOM 0 H MET A 36 -0.536 15.661 -25.130 1.00 0.00 H new ATOM 0 HA MET A 36 0.369 13.249 -24.039 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.313 14.521 -24.602 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.237 12.878 -23.998 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.824 13.611 -22.098 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.805 15.250 -22.719 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.296 16.617 -22.097 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.745 16.741 -22.961 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.009 15.639 -23.556 1.00 0.00 H new ATOM 560 N ARG A 37 -0.955 12.887 -27.030 1.00 0.00 N ATOM 561 CA ARG A 37 -1.008 11.955 -28.144 1.00 0.00 C ATOM 562 C ARG A 37 0.408 11.483 -28.496 1.00 0.00 C ATOM 563 O ARG A 37 0.669 10.284 -28.539 1.00 0.00 O ATOM 564 CB ARG A 37 -1.730 12.601 -29.336 1.00 0.00 C ATOM 565 CG ARG A 37 -2.035 11.635 -30.492 1.00 0.00 C ATOM 566 CD ARG A 37 -3.192 10.669 -30.193 1.00 0.00 C ATOM 567 NE ARG A 37 -2.807 9.579 -29.283 1.00 0.00 N ATOM 568 CZ ARG A 37 -2.076 8.504 -29.607 1.00 0.00 C ATOM 569 NH1 ARG A 37 -1.637 8.318 -30.857 1.00 0.00 N ATOM 570 NH2 ARG A 37 -1.794 7.615 -28.651 1.00 0.00 N ATOM 0 H ARG A 37 -1.353 13.805 -27.229 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.582 11.072 -27.864 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.666 13.037 -28.986 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.119 13.420 -29.715 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.276 12.213 -31.384 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.139 11.057 -30.719 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.020 11.226 -29.755 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.554 10.243 -31.129 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.126 9.648 -28.317 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.858 9.001 -31.582 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.082 7.493 -31.085 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.133 7.763 -27.701 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.239 6.788 -28.871 1.00 0.00 H new ATOM 584 N ALA A 38 1.338 12.423 -28.692 1.00 0.00 N ATOM 585 CA ALA A 38 2.739 12.120 -28.973 1.00 0.00 C ATOM 586 C ALA A 38 3.358 11.252 -27.870 1.00 0.00 C ATOM 587 O ALA A 38 4.092 10.310 -28.156 1.00 0.00 O ATOM 588 CB ALA A 38 3.524 13.424 -29.161 1.00 0.00 C ATOM 0 H ALA A 38 1.135 13.422 -28.659 1.00 0.00 H new ATOM 0 HA ALA A 38 2.790 11.544 -29.897 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.568 13.193 -29.370 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.102 13.986 -29.995 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.460 14.022 -28.252 1.00 0.00 H new ATOM 594 N LEU A 39 3.044 11.557 -26.608 1.00 0.00 N ATOM 595 CA LEU A 39 3.468 10.788 -25.443 1.00 0.00 C ATOM 596 C LEU A 39 2.812 9.396 -25.399 1.00 0.00 C ATOM 597 O LEU A 39 3.221 8.564 -24.591 1.00 0.00 O ATOM 598 CB LEU A 39 3.155 11.580 -24.161 1.00 0.00 C ATOM 599 CG LEU A 39 3.975 12.870 -23.980 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.264 13.814 -22.994 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.382 12.555 -23.458 1.00 0.00 C ATOM 0 H LEU A 39 2.473 12.367 -26.366 1.00 0.00 H new ATOM 0 HA LEU A 39 4.544 10.627 -25.517 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.096 11.837 -24.160 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.327 10.933 -23.301 1.00 0.00 H new ATOM 0 HG LEU A 39 4.062 13.354 -24.953 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.852 14.724 -22.873 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.277 14.069 -23.381 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.158 13.319 -22.029 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.942 13.483 -23.338 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.308 12.049 -22.495 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.898 11.909 -24.169 1.00 0.00 H new ATOM 613 N GLY A 40 1.808 9.125 -26.241 1.00 0.00 N ATOM 614 CA GLY A 40 1.205 7.810 -26.404 1.00 0.00 C ATOM 615 C GLY A 40 -0.084 7.634 -25.602 1.00 0.00 C ATOM 616 O GLY A 40 -0.610 6.525 -25.533 1.00 0.00 O ATOM 0 H GLY A 40 1.387 9.836 -26.839 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.994 7.643 -27.460 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.922 7.048 -26.098 1.00 0.00 H new ATOM 620 N PHE A 41 -0.624 8.704 -25.013 1.00 0.00 N ATOM 621 CA PHE A 41 -1.887 8.636 -24.286 1.00 0.00 C ATOM 622 C PHE A 41 -3.051 8.523 -25.272 1.00 0.00 C ATOM 623 O PHE A 41 -2.901 8.805 -26.459 1.00 0.00 O ATOM 624 CB PHE A 41 -2.061 9.883 -23.409 1.00 0.00 C ATOM 625 CG PHE A 41 -1.194 9.921 -22.164 1.00 0.00 C ATOM 626 CD1 PHE A 41 0.171 10.240 -22.267 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.753 9.653 -20.900 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.975 10.294 -21.115 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.951 9.709 -19.748 1.00 0.00 C ATOM 630 CZ PHE A 41 0.414 10.031 -19.853 1.00 0.00 C ATOM 0 H PHE A 41 -0.200 9.632 -25.028 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.877 7.755 -23.645 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.843 10.765 -24.011 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.106 9.953 -23.107 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.604 10.444 -23.235 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.800 9.404 -20.816 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.024 10.538 -21.199 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.384 9.504 -18.780 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.029 10.076 -18.967 1.00 0.00 H new ATOM 640 N GLU A 42 -4.227 8.151 -24.760 1.00 0.00 N ATOM 641 CA GLU A 42 -5.489 8.190 -25.485 1.00 0.00 C ATOM 642 C GLU A 42 -6.279 9.402 -24.972 1.00 0.00 C ATOM 643 O GLU A 42 -6.962 9.278 -23.955 1.00 0.00 O ATOM 644 CB GLU A 42 -6.263 6.888 -25.228 1.00 0.00 C ATOM 645 CG GLU A 42 -5.509 5.655 -25.751 1.00 0.00 C ATOM 646 CD GLU A 42 -6.323 4.371 -25.594 1.00 0.00 C ATOM 647 OE1 GLU A 42 -7.223 4.359 -24.726 1.00 0.00 O ATOM 648 OE2 GLU A 42 -6.027 3.420 -26.349 1.00 0.00 O ATOM 0 H GLU A 42 -4.325 7.806 -23.805 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.326 8.281 -26.559 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.440 6.777 -24.158 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.240 6.946 -25.709 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.263 5.801 -26.803 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.566 5.553 -25.214 1.00 0.00 H new ATOM 655 N PRO A 43 -6.170 10.585 -25.599 1.00 0.00 N ATOM 656 CA PRO A 43 -6.739 11.800 -25.044 1.00 0.00 C ATOM 657 C PRO A 43 -8.266 11.851 -25.192 1.00 0.00 C ATOM 658 O PRO A 43 -8.802 12.581 -26.026 1.00 0.00 O ATOM 659 CB PRO A 43 -6.014 12.951 -25.740 1.00 0.00 C ATOM 660 CG PRO A 43 -5.639 12.354 -27.092 1.00 0.00 C ATOM 661 CD PRO A 43 -5.330 10.900 -26.743 1.00 0.00 C ATOM 0 HA PRO A 43 -6.591 11.858 -23.966 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.656 13.825 -25.849 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.134 13.270 -25.182 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.455 12.433 -27.810 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.778 12.857 -27.532 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.548 10.240 -27.583 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.275 10.771 -26.502 1.00 0.00 H new ATOM 669 N LYS A 44 -8.965 11.105 -24.335 1.00 0.00 N ATOM 670 CA LYS A 44 -10.417 11.122 -24.222 1.00 0.00 C ATOM 671 C LYS A 44 -10.900 12.526 -23.833 1.00 0.00 C ATOM 672 O LYS A 44 -10.885 12.889 -22.655 1.00 0.00 O ATOM 673 CB LYS A 44 -10.877 10.070 -23.205 1.00 0.00 C ATOM 674 CG LYS A 44 -10.514 8.647 -23.656 1.00 0.00 C ATOM 675 CD LYS A 44 -11.006 7.623 -22.624 1.00 0.00 C ATOM 676 CE LYS A 44 -10.673 6.188 -23.051 1.00 0.00 C ATOM 677 NZ LYS A 44 -9.219 5.955 -23.121 1.00 0.00 N ATOM 0 H LYS A 44 -8.521 10.456 -23.685 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.857 10.872 -25.187 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.418 10.274 -22.238 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.956 10.144 -23.067 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.963 8.440 -24.627 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.434 8.561 -23.779 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.548 7.831 -21.657 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.084 7.724 -22.495 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.119 5.487 -22.345 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.120 5.987 -24.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.945 5.762 -24.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.715 6.799 -22.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.969 5.140 -22.526 1.00 0.00 H new ATOM 691 N LYS A 45 -11.317 13.299 -24.842 1.00 0.00 N ATOM 692 CA LYS A 45 -11.724 14.699 -24.784 1.00 0.00 C ATOM 693 C LYS A 45 -12.380 15.100 -23.460 1.00 0.00 C ATOM 694 O LYS A 45 -11.988 16.094 -22.858 1.00 0.00 O ATOM 695 CB LYS A 45 -12.657 14.982 -25.971 1.00 0.00 C ATOM 696 CG LYS A 45 -13.029 16.469 -26.078 1.00 0.00 C ATOM 697 CD LYS A 45 -13.870 16.766 -27.328 1.00 0.00 C ATOM 698 CE LYS A 45 -15.179 15.966 -27.406 1.00 0.00 C ATOM 699 NZ LYS A 45 -15.992 16.107 -26.184 1.00 0.00 N ATOM 0 H LYS A 45 -11.382 12.930 -25.791 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.823 15.310 -24.846 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.174 14.663 -26.894 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.566 14.389 -25.866 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.584 16.768 -25.189 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.119 17.069 -26.103 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.105 17.830 -27.351 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.273 16.552 -28.214 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.758 16.303 -28.266 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.950 14.913 -27.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.909 15.635 -26.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.493 15.670 -25.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.148 17.116 -25.986 1.00 0.00 H new ATOM 713 N GLU A 46 -13.395 14.357 -23.020 1.00 0.00 N ATOM 714 CA GLU A 46 -14.118 14.647 -21.788 1.00 0.00 C ATOM 715 C GLU A 46 -13.177 14.655 -20.573 1.00 0.00 C ATOM 716 O GLU A 46 -13.093 15.653 -19.855 1.00 0.00 O ATOM 717 CB GLU A 46 -15.326 13.708 -21.607 1.00 0.00 C ATOM 718 CG GLU A 46 -15.139 12.256 -22.087 1.00 0.00 C ATOM 719 CD GLU A 46 -15.420 12.080 -23.577 1.00 0.00 C ATOM 720 OE1 GLU A 46 -16.613 11.942 -23.925 1.00 0.00 O ATOM 721 OE2 GLU A 46 -14.432 12.117 -24.342 1.00 0.00 O ATOM 0 H GLU A 46 -13.739 13.533 -23.513 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.525 15.655 -21.867 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.588 13.688 -20.549 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -16.176 14.137 -22.138 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.118 11.938 -21.875 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.801 11.603 -21.518 1.00 0.00 H new ATOM 728 N GLU A 47 -12.454 13.555 -20.350 1.00 0.00 N ATOM 729 CA GLU A 47 -11.533 13.444 -19.226 1.00 0.00 C ATOM 730 C GLU A 47 -10.429 14.490 -19.370 1.00 0.00 C ATOM 731 O GLU A 47 -10.051 15.140 -18.398 1.00 0.00 O ATOM 732 CB GLU A 47 -10.930 12.034 -19.142 1.00 0.00 C ATOM 733 CG GLU A 47 -11.909 10.994 -18.577 1.00 0.00 C ATOM 734 CD GLU A 47 -13.075 10.705 -19.514 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.815 10.067 -20.557 1.00 0.00 O ATOM 736 OE2 GLU A 47 -14.200 11.136 -19.180 1.00 0.00 O ATOM 0 H GLU A 47 -12.493 12.724 -20.941 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.084 13.623 -18.302 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.611 11.722 -20.136 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.038 12.063 -18.516 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.371 10.067 -18.378 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.297 11.349 -17.622 1.00 0.00 H new ATOM 743 N ILE A 48 -9.918 14.651 -20.590 1.00 0.00 N ATOM 744 CA ILE A 48 -8.866 15.609 -20.887 1.00 0.00 C ATOM 745 C ILE A 48 -9.306 17.025 -20.515 1.00 0.00 C ATOM 746 O ILE A 48 -8.573 17.728 -19.826 1.00 0.00 O ATOM 747 CB ILE A 48 -8.455 15.468 -22.361 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.775 14.112 -22.605 1.00 0.00 C ATOM 749 CG2 ILE A 48 -7.559 16.616 -22.835 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.343 14.023 -22.069 1.00 0.00 C ATOM 0 H ILE A 48 -10.227 14.115 -21.401 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.984 15.401 -20.281 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.370 15.518 -22.952 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.374 13.329 -22.141 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.763 13.911 -23.676 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.299 16.466 -23.883 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.090 17.561 -22.725 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.649 16.639 -22.235 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.936 13.035 -22.282 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.726 14.781 -22.551 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.347 14.190 -20.992 1.00 0.00 H new ATOM 762 N LYS A 49 -10.497 17.448 -20.943 1.00 0.00 N ATOM 763 CA LYS A 49 -11.050 18.743 -20.608 1.00 0.00 C ATOM 764 C LYS A 49 -11.144 18.892 -19.089 1.00 0.00 C ATOM 765 O LYS A 49 -10.722 19.911 -18.541 1.00 0.00 O ATOM 766 CB LYS A 49 -12.414 18.878 -21.294 1.00 0.00 C ATOM 767 CG LYS A 49 -13.037 20.247 -21.022 1.00 0.00 C ATOM 768 CD LYS A 49 -14.257 20.555 -21.903 1.00 0.00 C ATOM 769 CE LYS A 49 -15.397 19.536 -21.756 1.00 0.00 C ATOM 770 NZ LYS A 49 -15.216 18.364 -22.633 1.00 0.00 N ATOM 0 H LYS A 49 -11.105 16.887 -21.539 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.405 19.546 -20.964 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.299 18.735 -22.368 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.082 18.094 -20.938 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.333 20.300 -19.974 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.282 21.018 -21.179 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.634 21.547 -21.653 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.942 20.587 -22.946 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.455 19.206 -20.719 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.346 20.019 -21.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.949 18.366 -23.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.277 18.405 -23.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.295 17.493 -22.070 1.00 0.00 H new ATOM 784 N LYS A 50 -11.698 17.882 -18.410 1.00 0.00 N ATOM 785 CA LYS A 50 -11.822 17.885 -16.958 1.00 0.00 C ATOM 786 C LYS A 50 -10.448 18.143 -16.320 1.00 0.00 C ATOM 787 O LYS A 50 -10.267 19.111 -15.580 1.00 0.00 O ATOM 788 CB LYS A 50 -12.455 16.556 -16.506 1.00 0.00 C ATOM 789 CG LYS A 50 -13.318 16.666 -15.242 1.00 0.00 C ATOM 790 CD LYS A 50 -12.528 17.065 -13.991 1.00 0.00 C ATOM 791 CE LYS A 50 -13.420 16.893 -12.756 1.00 0.00 C ATOM 792 NZ LYS A 50 -12.720 17.289 -11.523 1.00 0.00 N ATOM 0 H LYS A 50 -12.071 17.043 -18.855 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.478 18.690 -16.626 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.068 16.164 -17.318 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.661 15.831 -16.328 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.106 17.400 -15.413 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.807 15.709 -15.062 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.635 16.448 -13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.194 18.099 -14.072 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.322 17.493 -12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.737 15.853 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.259 16.959 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.771 16.863 -11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.635 18.325 -11.490 1.00 0.00 H new ATOM 806 N MET A 51 -9.470 17.292 -16.638 1.00 0.00 N ATOM 807 CA MET A 51 -8.112 17.376 -16.132 1.00 0.00 C ATOM 808 C MET A 51 -7.512 18.759 -16.405 1.00 0.00 C ATOM 809 O MET A 51 -7.071 19.439 -15.477 1.00 0.00 O ATOM 810 CB MET A 51 -7.313 16.226 -16.759 1.00 0.00 C ATOM 811 CG MET A 51 -5.916 16.077 -16.158 1.00 0.00 C ATOM 812 SD MET A 51 -4.641 17.236 -16.723 1.00 0.00 S ATOM 813 CE MET A 51 -4.428 16.708 -18.437 1.00 0.00 C ATOM 0 H MET A 51 -9.612 16.506 -17.273 1.00 0.00 H new ATOM 0 HA MET A 51 -8.085 17.266 -15.048 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.862 15.294 -16.626 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.225 16.394 -17.832 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.002 16.172 -15.076 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.567 15.065 -16.363 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.401 16.377 -18.591 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.110 15.886 -18.652 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.644 17.542 -19.104 1.00 0.00 H new ATOM 823 N ILE A 52 -7.534 19.194 -17.668 1.00 0.00 N ATOM 824 CA ILE A 52 -7.063 20.514 -18.068 1.00 0.00 C ATOM 825 C ILE A 52 -7.695 21.582 -17.180 1.00 0.00 C ATOM 826 O ILE A 52 -6.987 22.451 -16.685 1.00 0.00 O ATOM 827 CB ILE A 52 -7.333 20.754 -19.568 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.326 19.923 -20.384 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.227 22.242 -19.951 1.00 0.00 C ATOM 830 CD1 ILE A 52 -6.660 19.886 -21.876 1.00 0.00 C ATOM 0 H ILE A 52 -7.883 18.632 -18.444 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.983 20.573 -17.931 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.355 20.446 -19.788 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.327 20.338 -20.250 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.303 18.905 -19.996 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.425 22.358 -21.016 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.957 22.817 -19.381 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.224 22.605 -19.727 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.916 19.286 -22.401 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.647 19.445 -22.017 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.655 20.900 -22.275 1.00 0.00 H new ATOM 842 N SER A 53 -9.010 21.523 -16.966 1.00 0.00 N ATOM 843 CA SER A 53 -9.693 22.503 -16.137 1.00 0.00 C ATOM 844 C SER A 53 -9.183 22.474 -14.694 1.00 0.00 C ATOM 845 O SER A 53 -8.975 23.530 -14.105 1.00 0.00 O ATOM 846 CB SER A 53 -11.208 22.303 -16.212 1.00 0.00 C ATOM 847 OG SER A 53 -11.631 22.333 -17.564 1.00 0.00 O ATOM 0 H SER A 53 -9.619 20.805 -17.358 1.00 0.00 H new ATOM 0 HA SER A 53 -9.467 23.496 -16.527 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.481 21.351 -15.757 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.715 23.084 -15.645 1.00 0.00 H new ATOM 0 HG SER A 53 -11.354 21.507 -18.012 1.00 0.00 H new ATOM 853 N GLU A 54 -8.967 21.285 -14.119 1.00 0.00 N ATOM 854 CA GLU A 54 -8.388 21.192 -12.782 1.00 0.00 C ATOM 855 C GLU A 54 -7.006 21.851 -12.731 1.00 0.00 C ATOM 856 O GLU A 54 -6.713 22.602 -11.804 1.00 0.00 O ATOM 857 CB GLU A 54 -8.299 19.733 -12.310 1.00 0.00 C ATOM 858 CG GLU A 54 -9.671 19.064 -12.153 1.00 0.00 C ATOM 859 CD GLU A 54 -10.574 19.794 -11.164 1.00 0.00 C ATOM 860 OE1 GLU A 54 -10.088 20.081 -10.049 1.00 0.00 O ATOM 861 OE2 GLU A 54 -11.744 20.031 -11.537 1.00 0.00 O ATOM 0 H GLU A 54 -9.182 20.388 -14.554 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.052 21.729 -12.104 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.703 19.163 -13.023 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.773 19.698 -11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.163 19.022 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.533 18.035 -11.821 1.00 0.00 H new ATOM 868 N ILE A 55 -6.142 21.550 -13.703 1.00 0.00 N ATOM 869 CA ILE A 55 -4.781 22.081 -13.707 1.00 0.00 C ATOM 870 C ILE A 55 -4.778 23.584 -14.035 1.00 0.00 C ATOM 871 O ILE A 55 -3.946 24.329 -13.519 1.00 0.00 O ATOM 872 CB ILE A 55 -3.903 21.267 -14.680 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.850 19.766 -14.338 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.475 21.825 -14.752 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.244 19.422 -12.975 1.00 0.00 C ATOM 0 H ILE A 55 -6.361 20.944 -14.493 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.353 21.979 -12.710 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.381 21.368 -15.654 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.863 19.366 -14.377 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.276 19.255 -15.111 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.885 21.227 -15.447 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.505 22.858 -15.098 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.019 21.787 -13.763 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.255 18.341 -12.834 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.217 19.783 -12.932 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.829 19.896 -12.187 1.00 0.00 H new ATOM 887 N ASP A 56 -5.690 24.037 -14.899 1.00 0.00 N ATOM 888 CA ASP A 56 -5.757 25.414 -15.355 1.00 0.00 C ATOM 889 C ASP A 56 -6.565 26.254 -14.370 1.00 0.00 C ATOM 890 O ASP A 56 -7.771 26.429 -14.540 1.00 0.00 O ATOM 891 CB ASP A 56 -6.371 25.475 -16.758 1.00 0.00 C ATOM 892 CG ASP A 56 -6.442 26.894 -17.312 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.008 27.835 -16.611 1.00 0.00 O ATOM 894 OD2 ASP A 56 -6.957 27.017 -18.444 1.00 0.00 O ATOM 0 H ASP A 56 -6.412 23.441 -15.304 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.748 25.823 -15.405 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.782 24.855 -17.434 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.375 25.051 -16.729 1.00 0.00 H new ATOM 899 N LYS A 57 -5.883 26.871 -13.408 1.00 0.00 N ATOM 900 CA LYS A 57 -6.465 27.769 -12.430 1.00 0.00 C ATOM 901 C LYS A 57 -7.256 28.923 -13.070 1.00 0.00 C ATOM 902 O LYS A 57 -8.122 29.500 -12.415 1.00 0.00 O ATOM 903 CB LYS A 57 -5.303 28.269 -11.562 1.00 0.00 C ATOM 904 CG LYS A 57 -5.693 29.224 -10.434 1.00 0.00 C ATOM 905 CD LYS A 57 -6.697 28.607 -9.453 1.00 0.00 C ATOM 906 CE LYS A 57 -6.926 29.549 -8.267 1.00 0.00 C ATOM 907 NZ LYS A 57 -7.906 28.988 -7.320 1.00 0.00 N ATOM 0 H LYS A 57 -4.877 26.752 -13.289 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.206 27.244 -11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.799 27.406 -11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.580 28.770 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.797 29.522 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.121 30.130 -10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.642 28.415 -9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.325 27.646 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.981 29.727 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.279 30.515 -8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.040 29.648 -6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.814 28.841 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.557 28.078 -6.957 1.00 0.00 H new ATOM 951 N GLY A 61 -8.438 27.130 -20.717 1.00 0.00 N ATOM 952 CA GLY A 61 -8.021 26.028 -21.572 1.00 0.00 C ATOM 953 C GLY A 61 -6.538 26.143 -21.921 1.00 0.00 C ATOM 954 O GLY A 61 -6.137 25.841 -23.044 1.00 0.00 O ATOM 0 HA2 GLY A 61 -8.208 25.080 -21.068 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.615 26.026 -22.486 1.00 0.00 H new ATOM 958 N THR A 62 -5.724 26.573 -20.953 1.00 0.00 N ATOM 959 CA THR A 62 -4.303 26.828 -21.124 1.00 0.00 C ATOM 960 C THR A 62 -3.548 26.351 -19.888 1.00 0.00 C ATOM 961 O THR A 62 -3.893 26.770 -18.784 1.00 0.00 O ATOM 962 CB THR A 62 -4.079 28.335 -21.273 1.00 0.00 C ATOM 963 OG1 THR A 62 -4.720 29.008 -20.206 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.616 28.883 -22.598 1.00 0.00 C ATOM 0 H THR A 62 -6.051 26.757 -20.004 1.00 0.00 H new ATOM 0 HA THR A 62 -3.945 26.300 -22.008 1.00 0.00 H new ATOM 0 HB THR A 62 -3.003 28.506 -21.257 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.648 28.470 -19.390 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.430 29.956 -22.650 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.112 28.387 -23.428 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.688 28.697 -22.661 1.00 0.00 H new ATOM 972 N ILE A 63 -2.502 25.545 -20.063 1.00 0.00 N ATOM 973 CA ILE A 63 -1.608 25.168 -18.979 1.00 0.00 C ATOM 974 C ILE A 63 -0.413 26.123 -19.007 1.00 0.00 C ATOM 975 O ILE A 63 0.414 26.049 -19.917 1.00 0.00 O ATOM 976 CB ILE A 63 -1.163 23.702 -19.129 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.318 22.727 -19.410 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.394 23.262 -17.877 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.510 22.858 -18.457 1.00 0.00 C ATOM 0 H ILE A 63 -2.253 25.136 -20.964 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.117 25.245 -18.018 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.517 23.664 -20.006 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.667 22.883 -20.431 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.937 21.707 -19.356 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.081 22.224 -17.988 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.485 23.894 -17.749 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.038 23.355 -17.003 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.276 22.132 -18.730 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.181 22.671 -17.435 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.923 23.864 -18.527 1.00 0.00 H new ATOM 991 N ASP A 64 -0.317 27.029 -18.031 1.00 0.00 N ATOM 992 CA ASP A 64 0.852 27.892 -17.886 1.00 0.00 C ATOM 993 C ASP A 64 2.049 27.058 -17.412 1.00 0.00 C ATOM 994 O ASP A 64 1.861 25.973 -16.860 1.00 0.00 O ATOM 995 CB ASP A 64 0.526 29.048 -16.930 1.00 0.00 C ATOM 996 CG ASP A 64 1.517 30.200 -17.071 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.653 30.035 -16.577 1.00 0.00 O ATOM 998 OD2 ASP A 64 1.121 31.221 -17.672 1.00 0.00 O ATOM 0 H ASP A 64 -1.040 27.182 -17.328 1.00 0.00 H new ATOM 0 HA ASP A 64 1.120 28.332 -18.846 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.483 29.410 -17.129 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.537 28.684 -15.903 1.00 0.00 H new ATOM 1003 N PHE A 65 3.277 27.544 -17.614 1.00 0.00 N ATOM 1004 CA PHE A 65 4.488 26.817 -17.241 1.00 0.00 C ATOM 1005 C PHE A 65 4.443 26.338 -15.791 1.00 0.00 C ATOM 1006 O PHE A 65 4.649 25.155 -15.537 1.00 0.00 O ATOM 1007 CB PHE A 65 5.743 27.650 -17.522 1.00 0.00 C ATOM 1008 CG PHE A 65 7.029 26.988 -17.053 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.380 25.705 -17.523 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.834 27.615 -16.084 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.508 25.045 -17.005 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.981 26.969 -15.593 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.314 25.681 -16.046 1.00 0.00 C ATOM 0 H PHE A 65 3.457 28.453 -18.041 1.00 0.00 H new ATOM 0 HA PHE A 65 4.536 25.925 -17.866 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.811 27.839 -18.593 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.643 28.619 -17.033 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.780 25.228 -18.284 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.569 28.596 -15.717 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.755 24.050 -17.344 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.608 27.463 -14.866 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.189 25.181 -15.657 1.00 0.00 H new ATOM 1023 N GLU A 66 4.146 27.231 -14.844 1.00 0.00 N ATOM 1024 CA GLU A 66 4.057 26.865 -13.435 1.00 0.00 C ATOM 1025 C GLU A 66 3.090 25.690 -13.231 1.00 0.00 C ATOM 1026 O GLU A 66 3.399 24.732 -12.523 1.00 0.00 O ATOM 1027 CB GLU A 66 3.627 28.068 -12.579 1.00 0.00 C ATOM 1028 CG GLU A 66 4.641 29.224 -12.588 1.00 0.00 C ATOM 1029 CD GLU A 66 4.467 30.155 -13.784 1.00 0.00 C ATOM 1030 OE1 GLU A 66 5.080 29.852 -14.831 1.00 0.00 O ATOM 1031 OE2 GLU A 66 3.710 31.137 -13.636 1.00 0.00 O ATOM 0 H GLU A 66 3.963 28.217 -15.032 1.00 0.00 H new ATOM 0 HA GLU A 66 5.050 26.552 -13.111 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.667 28.436 -12.940 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.476 27.737 -11.552 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.537 29.799 -11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.651 28.815 -12.596 1.00 0.00 H new ATOM 1038 N GLU A 67 1.914 25.765 -13.858 1.00 0.00 N ATOM 1039 CA GLU A 67 0.893 24.734 -13.749 1.00 0.00 C ATOM 1040 C GLU A 67 1.424 23.414 -14.315 1.00 0.00 C ATOM 1041 O GLU A 67 1.314 22.373 -13.671 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.387 25.187 -14.461 1.00 0.00 C ATOM 1043 CG GLU A 67 -0.939 26.500 -13.888 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.195 26.951 -14.628 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.133 26.972 -15.877 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.182 27.277 -13.935 1.00 0.00 O ATOM 0 H GLU A 67 1.647 26.547 -14.456 1.00 0.00 H new ATOM 0 HA GLU A 67 0.647 24.570 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.183 25.314 -15.524 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.144 24.408 -14.373 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.166 26.369 -12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.177 27.276 -13.956 1.00 0.00 H new ATOM 1053 N PHE A 68 2.028 23.466 -15.506 1.00 0.00 N ATOM 1054 CA PHE A 68 2.654 22.308 -16.134 1.00 0.00 C ATOM 1055 C PHE A 68 3.685 21.682 -15.194 1.00 0.00 C ATOM 1056 O PHE A 68 3.627 20.490 -14.908 1.00 0.00 O ATOM 1057 CB PHE A 68 3.299 22.706 -17.466 1.00 0.00 C ATOM 1058 CG PHE A 68 3.912 21.551 -18.233 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.084 20.683 -18.971 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.311 21.429 -18.330 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.651 19.702 -19.802 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.875 20.485 -19.205 1.00 0.00 C ATOM 1063 CZ PHE A 68 5.049 19.610 -19.925 1.00 0.00 C ATOM 0 H PHE A 68 2.095 24.319 -16.061 1.00 0.00 H new ATOM 0 HA PHE A 68 1.884 21.563 -16.338 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.546 23.184 -18.093 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.072 23.450 -17.274 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.010 20.772 -18.898 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.951 22.061 -17.732 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.014 19.020 -20.345 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.947 20.433 -19.323 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.486 18.866 -20.574 1.00 0.00 H new ATOM 1073 N LEU A 69 4.623 22.488 -14.694 1.00 0.00 N ATOM 1074 CA LEU A 69 5.652 22.038 -13.770 1.00 0.00 C ATOM 1075 C LEU A 69 5.007 21.372 -12.552 1.00 0.00 C ATOM 1076 O LEU A 69 5.416 20.281 -12.159 1.00 0.00 O ATOM 1077 CB LEU A 69 6.551 23.224 -13.386 1.00 0.00 C ATOM 1078 CG LEU A 69 7.654 22.878 -12.370 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.601 21.782 -12.877 1.00 0.00 C ATOM 1080 CD2 LEU A 69 8.466 24.142 -12.072 1.00 0.00 C ATOM 0 H LEU A 69 4.686 23.480 -14.924 1.00 0.00 H new ATOM 0 HA LEU A 69 6.284 21.288 -14.246 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.016 23.620 -14.289 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.929 24.018 -12.973 1.00 0.00 H new ATOM 0 HG LEU A 69 7.168 22.499 -11.471 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.359 21.578 -12.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.033 20.873 -13.076 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.085 22.115 -13.795 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.251 23.909 -11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.916 24.511 -12.994 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.809 24.907 -11.657 1.00 0.00 H new ATOM 1092 N THR A 70 3.988 22.003 -11.966 1.00 0.00 N ATOM 1093 CA THR A 70 3.269 21.432 -10.834 1.00 0.00 C ATOM 1094 C THR A 70 2.688 20.061 -11.201 1.00 0.00 C ATOM 1095 O THR A 70 2.888 19.092 -10.470 1.00 0.00 O ATOM 1096 CB THR A 70 2.193 22.408 -10.334 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.784 23.661 -10.051 1.00 0.00 O ATOM 1098 CG2 THR A 70 1.536 21.903 -9.046 1.00 0.00 C ATOM 0 H THR A 70 3.643 22.916 -12.262 1.00 0.00 H new ATOM 0 HA THR A 70 3.967 21.274 -10.012 1.00 0.00 H new ATOM 0 HB THR A 70 1.439 22.494 -11.117 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.988 24.123 -10.891 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.780 22.617 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.067 20.937 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.293 21.796 -8.269 1.00 0.00 H new ATOM 1106 N MET A 71 1.987 19.967 -12.335 1.00 0.00 N ATOM 1107 CA MET A 71 1.416 18.717 -12.819 1.00 0.00 C ATOM 1108 C MET A 71 2.506 17.645 -12.938 1.00 0.00 C ATOM 1109 O MET A 71 2.369 16.551 -12.393 1.00 0.00 O ATOM 1110 CB MET A 71 0.710 18.965 -14.160 1.00 0.00 C ATOM 1111 CG MET A 71 -0.048 17.726 -14.655 1.00 0.00 C ATOM 1112 SD MET A 71 -0.851 17.890 -16.271 1.00 0.00 S ATOM 1113 CE MET A 71 0.573 18.168 -17.350 1.00 0.00 C ATOM 0 H MET A 71 1.801 20.764 -12.943 1.00 0.00 H new ATOM 0 HA MET A 71 0.677 18.349 -12.108 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.013 19.796 -14.053 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.447 19.260 -14.907 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.650 16.890 -14.700 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.808 17.468 -13.917 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.268 18.057 -18.391 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.960 19.174 -17.190 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.351 17.440 -17.121 1.00 0.00 H new ATOM 1123 N MET A 72 3.595 17.962 -13.643 1.00 0.00 N ATOM 1124 CA MET A 72 4.729 17.061 -13.793 1.00 0.00 C ATOM 1125 C MET A 72 5.224 16.604 -12.419 1.00 0.00 C ATOM 1126 O MET A 72 5.346 15.405 -12.188 1.00 0.00 O ATOM 1127 CB MET A 72 5.845 17.724 -14.611 1.00 0.00 C ATOM 1128 CG MET A 72 5.463 17.946 -16.085 1.00 0.00 C ATOM 1129 SD MET A 72 5.022 16.491 -17.073 1.00 0.00 S ATOM 1130 CE MET A 72 6.528 15.504 -16.934 1.00 0.00 C ATOM 0 H MET A 72 3.711 18.854 -14.125 1.00 0.00 H new ATOM 0 HA MET A 72 4.409 16.176 -14.343 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.098 18.683 -14.159 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.740 17.103 -14.563 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.620 18.637 -16.112 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.299 18.443 -16.576 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.442 14.618 -17.563 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.383 16.097 -17.258 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.669 15.200 -15.897 1.00 0.00 H new