USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -130:sc= 0.511 USER MOD Set 1.2: A 62 THR OG1 : rot 163:sc= 0.0711 USER MOD Set 2.1: A 5 THR OG1 : rot 50:sc= 1.51 USER MOD Set 2.2: A 8 GLN : amide:sc= 0.927 K(o=2.4,f=-0.058) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0151) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -16:sc= 1.02 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0292) USER MOD Single : A 36 MET CE :methyl -169:sc= -0.0282 (180deg=-0.355) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0.478 (180deg=0.453) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0.819 (180deg=0.786) USER MOD Single : A 51 MET CE :methyl -168:sc= 0 (180deg=-0.205) USER MOD Single : A 53 SER OG : rot -47:sc= 1.26 USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.282 (180deg=-0.746) USER MOD Single : A 70 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 71 MET CE :methyl -114:sc= -0.091 (180deg=-0.21) USER MOD Single : A 72 MET CE :methyl 175:sc= -0.175 (180deg=-0.216) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 5 14.884 18.332 -9.661 1.00 0.00 N ATOM 68 CA THR A 5 16.187 18.964 -9.705 1.00 0.00 C ATOM 69 C THR A 5 16.230 19.975 -10.857 1.00 0.00 C ATOM 70 O THR A 5 15.459 19.865 -11.812 1.00 0.00 O ATOM 71 CB THR A 5 17.272 17.885 -9.868 1.00 0.00 C ATOM 72 OG1 THR A 5 16.862 16.649 -9.320 1.00 0.00 O ATOM 73 CG2 THR A 5 18.524 18.299 -9.109 1.00 0.00 C ATOM 0 HA THR A 5 16.374 19.501 -8.775 1.00 0.00 H new ATOM 0 HB THR A 5 17.458 17.779 -10.937 1.00 0.00 H new ATOM 0 HG1 THR A 5 15.973 16.418 -9.662 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.291 17.533 -9.226 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.893 19.245 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.287 18.416 -8.052 1.00 0.00 H new ATOM 81 N GLU A 6 17.148 20.944 -10.787 1.00 0.00 N ATOM 82 CA GLU A 6 17.319 21.978 -11.802 1.00 0.00 C ATOM 83 C GLU A 6 17.298 21.396 -13.218 1.00 0.00 C ATOM 84 O GLU A 6 16.602 21.911 -14.085 1.00 0.00 O ATOM 85 CB GLU A 6 18.618 22.753 -11.546 1.00 0.00 C ATOM 86 CG GLU A 6 18.568 23.519 -10.217 1.00 0.00 C ATOM 87 CD GLU A 6 19.839 24.335 -10.005 1.00 0.00 C ATOM 88 OE1 GLU A 6 20.788 23.764 -9.427 1.00 0.00 O ATOM 89 OE2 GLU A 6 19.837 25.510 -10.431 1.00 0.00 O ATOM 0 H GLU A 6 17.802 21.030 -10.009 1.00 0.00 H new ATOM 0 HA GLU A 6 16.476 22.665 -11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.459 22.060 -11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.792 23.453 -12.363 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.702 24.180 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.442 22.816 -9.393 1.00 0.00 H new ATOM 96 N GLU A 7 18.016 20.295 -13.445 1.00 0.00 N ATOM 97 CA GLU A 7 18.045 19.622 -14.735 1.00 0.00 C ATOM 98 C GLU A 7 16.626 19.248 -15.188 1.00 0.00 C ATOM 99 O GLU A 7 16.238 19.519 -16.322 1.00 0.00 O ATOM 100 CB GLU A 7 18.945 18.377 -14.668 1.00 0.00 C ATOM 101 CG GLU A 7 20.430 18.695 -14.403 1.00 0.00 C ATOM 102 CD GLU A 7 20.766 19.094 -12.965 1.00 0.00 C ATOM 103 OE1 GLU A 7 19.912 18.858 -12.080 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.874 19.638 -12.774 1.00 0.00 O ATOM 0 H GLU A 7 18.594 19.847 -12.734 1.00 0.00 H new ATOM 0 HA GLU A 7 18.461 20.308 -15.473 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.579 17.717 -13.881 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.862 17.830 -15.607 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.025 17.821 -14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.736 19.503 -15.068 1.00 0.00 H new ATOM 111 N GLN A 8 15.837 18.650 -14.291 1.00 0.00 N ATOM 112 CA GLN A 8 14.459 18.288 -14.591 1.00 0.00 C ATOM 113 C GLN A 8 13.659 19.553 -14.904 1.00 0.00 C ATOM 114 O GLN A 8 12.893 19.576 -15.861 1.00 0.00 O ATOM 115 CB GLN A 8 13.822 17.522 -13.425 1.00 0.00 C ATOM 116 CG GLN A 8 14.533 16.200 -13.103 1.00 0.00 C ATOM 117 CD GLN A 8 14.044 15.661 -11.764 1.00 0.00 C ATOM 118 OE1 GLN A 8 14.768 15.705 -10.773 1.00 0.00 O ATOM 119 NE2 GLN A 8 12.791 15.234 -11.685 1.00 0.00 N ATOM 0 H GLN A 8 16.137 18.407 -13.347 1.00 0.00 H new ATOM 0 HA GLN A 8 14.450 17.630 -15.460 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.828 18.155 -12.538 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.778 17.316 -13.662 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.340 15.472 -13.891 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.611 16.355 -13.070 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.208 15.206 -12.522 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.410 14.933 -10.788 1.00 0.00 H new ATOM 128 N LYS A 9 13.840 20.612 -14.111 1.00 0.00 N ATOM 129 CA LYS A 9 13.153 21.877 -14.347 1.00 0.00 C ATOM 130 C LYS A 9 13.498 22.436 -15.737 1.00 0.00 C ATOM 131 O LYS A 9 12.610 22.867 -16.473 1.00 0.00 O ATOM 132 CB LYS A 9 13.457 22.868 -13.215 1.00 0.00 C ATOM 133 CG LYS A 9 12.922 22.340 -11.874 1.00 0.00 C ATOM 134 CD LYS A 9 13.367 23.178 -10.667 1.00 0.00 C ATOM 135 CE LYS A 9 13.025 24.667 -10.789 1.00 0.00 C ATOM 136 NZ LYS A 9 11.583 24.888 -10.999 1.00 0.00 N ATOM 0 H LYS A 9 14.458 20.615 -13.300 1.00 0.00 H new ATOM 0 HA LYS A 9 12.077 21.706 -14.341 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.533 23.029 -13.145 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.004 23.834 -13.439 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.833 22.318 -11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.258 21.312 -11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.898 22.780 -9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.444 23.071 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.343 25.187 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.583 25.100 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.381 25.908 -10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.304 24.502 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.046 24.411 -10.247 1.00 0.00 H new ATOM 150 N GLN A 10 14.778 22.397 -16.119 1.00 0.00 N ATOM 151 CA GLN A 10 15.225 22.782 -17.450 1.00 0.00 C ATOM 152 C GLN A 10 14.514 21.932 -18.508 1.00 0.00 C ATOM 153 O GLN A 10 13.922 22.483 -19.432 1.00 0.00 O ATOM 154 CB GLN A 10 16.754 22.674 -17.562 1.00 0.00 C ATOM 155 CG GLN A 10 17.468 23.722 -16.697 1.00 0.00 C ATOM 156 CD GLN A 10 18.966 23.449 -16.599 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.475 23.095 -15.541 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.688 23.607 -17.706 1.00 0.00 N ATOM 0 H GLN A 10 15.534 22.094 -15.505 1.00 0.00 H new ATOM 0 HA GLN A 10 14.963 23.825 -17.627 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.070 21.676 -17.258 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.051 22.799 -18.603 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.306 24.714 -17.119 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.033 23.726 -15.698 1.00 0.00 H new ATOM 0 HE21 GLN A 10 19.236 23.903 -18.572 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.693 23.433 -17.689 1.00 0.00 H new ATOM 167 N GLU A 11 14.540 20.602 -18.370 1.00 0.00 N ATOM 168 CA GLU A 11 13.840 19.704 -19.288 1.00 0.00 C ATOM 169 C GLU A 11 12.361 20.096 -19.423 1.00 0.00 C ATOM 170 O GLU A 11 11.854 20.245 -20.533 1.00 0.00 O ATOM 171 CB GLU A 11 13.982 18.248 -18.824 1.00 0.00 C ATOM 172 CG GLU A 11 15.419 17.728 -18.967 1.00 0.00 C ATOM 173 CD GLU A 11 15.595 16.396 -18.242 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.055 15.396 -18.762 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.251 16.403 -17.177 1.00 0.00 O ATOM 0 H GLU A 11 15.044 20.123 -17.624 1.00 0.00 H new ATOM 0 HA GLU A 11 14.298 19.797 -20.273 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.672 18.169 -17.782 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.310 17.617 -19.405 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.662 17.606 -20.023 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.117 18.461 -18.562 1.00 0.00 H new ATOM 182 N ILE A 12 11.673 20.276 -18.294 1.00 0.00 N ATOM 183 CA ILE A 12 10.279 20.702 -18.247 1.00 0.00 C ATOM 184 C ILE A 12 10.098 22.022 -19.007 1.00 0.00 C ATOM 185 O ILE A 12 9.171 22.153 -19.801 1.00 0.00 O ATOM 186 CB ILE A 12 9.816 20.764 -16.776 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.694 19.328 -16.231 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.474 21.491 -16.609 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.615 19.270 -14.703 1.00 0.00 C ATOM 0 H ILE A 12 12.080 20.126 -17.371 1.00 0.00 H new ATOM 0 HA ILE A 12 9.640 19.978 -18.753 1.00 0.00 H new ATOM 0 HB ILE A 12 10.560 21.332 -16.217 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.805 18.860 -16.653 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.551 18.744 -16.567 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.197 21.505 -15.555 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.567 22.514 -16.974 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.705 20.971 -17.180 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.530 18.232 -14.382 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.516 19.710 -14.275 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.742 19.827 -14.362 1.00 0.00 H new ATOM 201 N ARG A 13 10.976 23.001 -18.784 1.00 0.00 N ATOM 202 CA ARG A 13 10.932 24.283 -19.481 1.00 0.00 C ATOM 203 C ARG A 13 11.104 24.094 -20.997 1.00 0.00 C ATOM 204 O ARG A 13 10.296 24.602 -21.777 1.00 0.00 O ATOM 205 CB ARG A 13 11.940 25.234 -18.816 1.00 0.00 C ATOM 206 CG ARG A 13 11.714 26.722 -19.129 1.00 0.00 C ATOM 207 CD ARG A 13 12.291 27.134 -20.483 1.00 0.00 C ATOM 208 NE ARG A 13 13.739 26.884 -20.529 1.00 0.00 N ATOM 209 CZ ARG A 13 14.446 26.516 -21.607 1.00 0.00 C ATOM 210 NH1 ARG A 13 13.888 26.488 -22.822 1.00 0.00 N ATOM 211 NH2 ARG A 13 15.727 26.168 -21.452 1.00 0.00 N ATOM 0 H ARG A 13 11.740 22.925 -18.112 1.00 0.00 H new ATOM 0 HA ARG A 13 9.953 24.752 -19.388 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.896 25.092 -17.736 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.945 24.957 -19.134 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.645 26.934 -19.115 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.169 27.327 -18.345 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.796 26.578 -21.279 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.094 28.191 -20.662 1.00 0.00 H new ATOM 0 HE ARG A 13 14.255 27.002 -19.657 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.909 26.749 -22.940 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.441 26.205 -23.631 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.152 26.185 -20.525 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.280 25.885 -22.261 1.00 0.00 H new ATOM 225 N GLU A 14 12.114 23.336 -21.432 1.00 0.00 N ATOM 226 CA GLU A 14 12.307 23.031 -22.848 1.00 0.00 C ATOM 227 C GLU A 14 11.046 22.384 -23.437 1.00 0.00 C ATOM 228 O GLU A 14 10.525 22.838 -24.456 1.00 0.00 O ATOM 229 CB GLU A 14 13.527 22.113 -23.039 1.00 0.00 C ATOM 230 CG GLU A 14 14.868 22.762 -22.650 1.00 0.00 C ATOM 231 CD GLU A 14 15.378 23.810 -23.638 1.00 0.00 C ATOM 232 OE1 GLU A 14 14.656 24.112 -24.612 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.489 24.324 -23.383 1.00 0.00 O ATOM 0 H GLU A 14 12.814 22.921 -20.817 1.00 0.00 H new ATOM 0 HA GLU A 14 12.492 23.964 -23.380 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.386 21.211 -22.444 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.575 21.802 -24.083 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.761 23.227 -21.670 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.620 21.979 -22.550 1.00 0.00 H new ATOM 240 N ALA A 15 10.553 21.324 -22.790 1.00 0.00 N ATOM 241 CA ALA A 15 9.353 20.614 -23.212 1.00 0.00 C ATOM 242 C ALA A 15 8.172 21.577 -23.326 1.00 0.00 C ATOM 243 O ALA A 15 7.469 21.581 -24.332 1.00 0.00 O ATOM 244 CB ALA A 15 9.047 19.477 -22.233 1.00 0.00 C ATOM 0 H ALA A 15 10.983 20.935 -21.951 1.00 0.00 H new ATOM 0 HA ALA A 15 9.525 20.181 -24.198 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.148 18.951 -22.556 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.886 18.781 -22.210 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.889 19.888 -21.236 1.00 0.00 H new ATOM 250 N PHE A 16 7.970 22.410 -22.302 1.00 0.00 N ATOM 251 CA PHE A 16 6.930 23.424 -22.285 1.00 0.00 C ATOM 252 C PHE A 16 7.021 24.295 -23.537 1.00 0.00 C ATOM 253 O PHE A 16 6.054 24.414 -24.291 1.00 0.00 O ATOM 254 CB PHE A 16 7.037 24.274 -21.011 1.00 0.00 C ATOM 255 CG PHE A 16 6.007 25.379 -20.923 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.679 25.068 -20.589 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.350 26.702 -21.261 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.700 26.073 -20.575 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.367 27.706 -21.265 1.00 0.00 C ATOM 260 CZ PHE A 16 4.045 27.392 -20.912 1.00 0.00 C ATOM 0 H PHE A 16 8.535 22.393 -21.453 1.00 0.00 H new ATOM 0 HA PHE A 16 5.956 22.934 -22.283 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.933 23.624 -20.142 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.033 24.714 -20.962 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.410 24.052 -20.342 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.370 26.946 -21.518 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.682 25.833 -20.305 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.628 28.717 -21.539 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.292 28.166 -20.900 1.00 0.00 H new ATOM 270 N ASP A 17 8.199 24.887 -23.761 1.00 0.00 N ATOM 271 CA ASP A 17 8.439 25.764 -24.899 1.00 0.00 C ATOM 272 C ASP A 17 8.109 25.040 -26.203 1.00 0.00 C ATOM 273 O ASP A 17 7.378 25.573 -27.033 1.00 0.00 O ATOM 274 CB ASP A 17 9.893 26.257 -24.915 1.00 0.00 C ATOM 275 CG ASP A 17 10.255 27.181 -23.756 1.00 0.00 C ATOM 276 OD1 ASP A 17 9.345 27.552 -22.983 1.00 0.00 O ATOM 277 OD2 ASP A 17 11.456 27.514 -23.669 1.00 0.00 O ATOM 0 H ASP A 17 9.010 24.768 -23.154 1.00 0.00 H new ATOM 0 HA ASP A 17 7.788 26.633 -24.804 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.558 25.393 -24.897 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.077 26.781 -25.853 1.00 0.00 H new ATOM 282 N LEU A 18 8.644 23.829 -26.381 1.00 0.00 N ATOM 283 CA LEU A 18 8.384 23.031 -27.572 1.00 0.00 C ATOM 284 C LEU A 18 6.883 22.833 -27.761 1.00 0.00 C ATOM 285 O LEU A 18 6.354 23.107 -28.835 1.00 0.00 O ATOM 286 CB LEU A 18 9.135 21.694 -27.491 1.00 0.00 C ATOM 287 CG LEU A 18 8.924 20.824 -28.748 1.00 0.00 C ATOM 288 CD1 LEU A 18 10.186 20.008 -29.030 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.754 19.839 -28.601 1.00 0.00 C ATOM 0 H LEU A 18 9.264 23.381 -25.707 1.00 0.00 H new ATOM 0 HA LEU A 18 8.755 23.563 -28.448 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.200 21.886 -27.360 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.799 21.144 -26.612 1.00 0.00 H new ATOM 0 HG LEU A 18 8.699 21.511 -29.564 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.032 19.395 -29.918 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.026 20.683 -29.195 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.401 19.364 -28.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.654 19.254 -29.515 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.945 19.170 -27.762 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.833 20.393 -28.421 1.00 0.00 H new ATOM 301 N PHE A 19 6.198 22.336 -26.728 1.00 0.00 N ATOM 302 CA PHE A 19 4.772 22.068 -26.803 1.00 0.00 C ATOM 303 C PHE A 19 3.993 23.343 -27.113 1.00 0.00 C ATOM 304 O PHE A 19 3.024 23.292 -27.870 1.00 0.00 O ATOM 305 CB PHE A 19 4.270 21.426 -25.505 1.00 0.00 C ATOM 306 CG PHE A 19 4.795 20.039 -25.163 1.00 0.00 C ATOM 307 CD1 PHE A 19 5.054 19.084 -26.168 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.842 19.645 -23.812 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.399 17.766 -25.824 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.143 18.315 -23.470 1.00 0.00 C ATOM 311 CZ PHE A 19 5.448 17.380 -24.474 1.00 0.00 C ATOM 0 H PHE A 19 6.618 22.112 -25.826 1.00 0.00 H new ATOM 0 HA PHE A 19 4.604 21.364 -27.618 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.519 22.094 -24.680 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.182 21.372 -25.554 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.987 19.367 -27.208 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.646 20.368 -23.034 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.627 17.049 -26.599 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.140 18.011 -22.434 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.719 16.369 -24.209 1.00 0.00 H new ATOM 321 N ASP A 20 4.411 24.491 -26.574 1.00 0.00 N ATOM 322 CA ASP A 20 3.859 25.780 -26.970 1.00 0.00 C ATOM 323 C ASP A 20 4.383 26.171 -28.360 1.00 0.00 C ATOM 324 O ASP A 20 5.005 27.218 -28.529 1.00 0.00 O ATOM 325 CB ASP A 20 4.178 26.844 -25.908 1.00 0.00 C ATOM 326 CG ASP A 20 3.514 28.188 -26.207 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.682 28.243 -27.138 1.00 0.00 O ATOM 328 OD2 ASP A 20 3.849 29.154 -25.489 1.00 0.00 O ATOM 0 H ASP A 20 5.135 24.549 -25.858 1.00 0.00 H new ATOM 0 HA ASP A 20 2.774 25.707 -27.038 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.848 26.489 -24.932 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.258 26.981 -25.849 1.00 0.00 H new ATOM 333 N THR A 21 4.085 25.350 -29.369 1.00 0.00 N ATOM 334 CA THR A 21 4.461 25.579 -30.756 1.00 0.00 C ATOM 335 C THR A 21 3.996 26.958 -31.235 1.00 0.00 C ATOM 336 O THR A 21 4.698 27.623 -31.992 1.00 0.00 O ATOM 337 CB THR A 21 3.890 24.458 -31.638 1.00 0.00 C ATOM 338 OG1 THR A 21 2.484 24.362 -31.504 1.00 0.00 O ATOM 339 CG2 THR A 21 4.506 23.094 -31.305 1.00 0.00 C ATOM 0 H THR A 21 3.561 24.485 -29.235 1.00 0.00 H new ATOM 0 HA THR A 21 5.548 25.564 -30.833 1.00 0.00 H new ATOM 0 HB THR A 21 4.145 24.722 -32.664 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.198 24.843 -30.700 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.073 22.331 -31.953 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.584 23.134 -31.461 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.299 22.846 -30.264 1.00 0.00 H new ATOM 377 N GLY A 25 2.939 31.717 -25.039 1.00 0.00 N ATOM 378 CA GLY A 25 3.376 31.875 -23.658 1.00 0.00 C ATOM 379 C GLY A 25 2.681 30.850 -22.760 1.00 0.00 C ATOM 380 O GLY A 25 3.097 30.630 -21.624 1.00 0.00 O ATOM 0 HA2 GLY A 25 4.457 31.750 -23.595 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.151 32.884 -23.312 1.00 0.00 H new ATOM 384 N THR A 26 1.623 30.217 -23.272 1.00 0.00 N ATOM 385 CA THR A 26 0.828 29.212 -22.601 1.00 0.00 C ATOM 386 C THR A 26 0.532 28.113 -23.627 1.00 0.00 C ATOM 387 O THR A 26 0.407 28.402 -24.818 1.00 0.00 O ATOM 388 CB THR A 26 -0.425 29.869 -22.011 1.00 0.00 C ATOM 389 OG1 THR A 26 -1.231 30.412 -23.033 1.00 0.00 O ATOM 390 CG2 THR A 26 -0.102 31.010 -21.041 1.00 0.00 C ATOM 0 H THR A 26 1.289 30.409 -24.216 1.00 0.00 H new ATOM 0 HA THR A 26 1.347 28.755 -21.758 1.00 0.00 H new ATOM 0 HB THR A 26 -0.942 29.075 -21.472 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.463 31.338 -22.810 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.030 31.435 -20.657 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.492 30.625 -20.212 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.462 31.783 -21.563 1.00 0.00 H new ATOM 398 N ILE A 27 0.479 26.852 -23.189 1.00 0.00 N ATOM 399 CA ILE A 27 0.159 25.714 -24.045 1.00 0.00 C ATOM 400 C ILE A 27 -1.360 25.672 -24.186 1.00 0.00 C ATOM 401 O ILE A 27 -2.042 25.476 -23.184 1.00 0.00 O ATOM 402 CB ILE A 27 0.694 24.419 -23.408 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.226 24.440 -23.447 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.186 23.155 -24.120 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.816 23.253 -22.695 1.00 0.00 C ATOM 0 H ILE A 27 0.660 26.593 -22.219 1.00 0.00 H new ATOM 0 HA ILE A 27 0.622 25.810 -25.027 1.00 0.00 H new ATOM 0 HB ILE A 27 0.328 24.382 -22.382 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.566 24.422 -24.483 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.590 25.369 -23.008 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.595 22.272 -23.629 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.903 23.124 -24.075 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.505 23.171 -25.162 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.904 23.297 -22.742 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.496 23.286 -21.654 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.471 22.325 -23.151 1.00 0.00 H new ATOM 417 N ASP A 28 -1.905 25.843 -25.392 1.00 0.00 N ATOM 418 CA ASP A 28 -3.342 25.689 -25.604 1.00 0.00 C ATOM 419 C ASP A 28 -3.760 24.234 -25.374 1.00 0.00 C ATOM 420 O ASP A 28 -2.993 23.327 -25.687 1.00 0.00 O ATOM 421 CB ASP A 28 -3.717 26.156 -27.015 1.00 0.00 C ATOM 422 CG ASP A 28 -5.218 26.034 -27.260 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.635 24.938 -27.696 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.923 27.028 -26.988 1.00 0.00 O ATOM 0 H ASP A 28 -1.376 26.086 -26.230 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.878 26.310 -24.886 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.407 27.192 -27.151 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.177 25.562 -27.752 1.00 0.00 H new ATOM 429 N ALA A 29 -4.979 24.001 -24.875 1.00 0.00 N ATOM 430 CA ALA A 29 -5.555 22.664 -24.725 1.00 0.00 C ATOM 431 C ALA A 29 -5.219 21.724 -25.896 1.00 0.00 C ATOM 432 O ALA A 29 -4.798 20.589 -25.680 1.00 0.00 O ATOM 433 CB ALA A 29 -7.071 22.787 -24.550 1.00 0.00 C ATOM 0 H ALA A 29 -5.600 24.747 -24.560 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.108 22.211 -23.840 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.506 21.794 -24.438 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.288 23.381 -23.662 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.500 23.274 -25.426 1.00 0.00 H new ATOM 439 N LYS A 30 -5.370 22.195 -27.138 1.00 0.00 N ATOM 440 CA LYS A 30 -5.041 21.415 -28.326 1.00 0.00 C ATOM 441 C LYS A 30 -3.560 21.016 -28.336 1.00 0.00 C ATOM 442 O LYS A 30 -3.222 19.859 -28.586 1.00 0.00 O ATOM 443 CB LYS A 30 -5.400 22.210 -29.588 1.00 0.00 C ATOM 444 CG LYS A 30 -6.906 22.491 -29.674 1.00 0.00 C ATOM 445 CD LYS A 30 -7.213 23.331 -30.919 1.00 0.00 C ATOM 446 CE LYS A 30 -8.714 23.628 -31.004 1.00 0.00 C ATOM 447 NZ LYS A 30 -9.035 24.440 -32.191 1.00 0.00 N ATOM 0 H LYS A 30 -5.724 23.129 -27.344 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.627 20.496 -28.309 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.853 23.153 -29.592 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.083 21.654 -30.470 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.458 21.552 -29.714 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.238 23.018 -28.779 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.652 24.265 -30.883 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.889 22.799 -31.814 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.270 22.691 -31.041 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.034 24.154 -30.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.058 24.624 -32.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.522 25.344 -32.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.751 23.927 -33.050 1.00 0.00 H new ATOM 461 N GLU A 31 -2.668 21.968 -28.049 1.00 0.00 N ATOM 462 CA GLU A 31 -1.241 21.699 -27.951 1.00 0.00 C ATOM 463 C GLU A 31 -0.976 20.692 -26.827 1.00 0.00 C ATOM 464 O GLU A 31 -0.133 19.812 -26.974 1.00 0.00 O ATOM 465 CB GLU A 31 -0.459 22.999 -27.725 1.00 0.00 C ATOM 466 CG GLU A 31 -0.548 23.973 -28.907 1.00 0.00 C ATOM 467 CD GLU A 31 0.223 25.259 -28.615 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.173 25.941 -27.644 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.192 25.532 -29.359 1.00 0.00 O ATOM 0 H GLU A 31 -2.919 22.942 -27.879 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.897 21.266 -28.890 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.836 23.491 -26.828 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.588 22.758 -27.540 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.147 23.500 -29.804 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.592 24.209 -29.111 1.00 0.00 H new ATOM 476 N LEU A 32 -1.697 20.798 -25.706 1.00 0.00 N ATOM 477 CA LEU A 32 -1.569 19.826 -24.625 1.00 0.00 C ATOM 478 C LEU A 32 -1.996 18.434 -25.105 1.00 0.00 C ATOM 479 O LEU A 32 -1.328 17.445 -24.816 1.00 0.00 O ATOM 480 CB LEU A 32 -2.362 20.259 -23.383 1.00 0.00 C ATOM 481 CG LEU A 32 -1.854 19.554 -22.111 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.555 20.185 -21.586 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.941 19.610 -21.031 1.00 0.00 C ATOM 0 H LEU A 32 -2.370 21.543 -25.528 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.520 19.778 -24.334 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.282 21.339 -23.258 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.418 20.032 -23.528 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.632 18.517 -22.363 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.231 19.658 -20.688 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.220 20.111 -22.349 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.731 21.234 -21.347 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.584 19.112 -20.130 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.174 20.650 -20.803 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.839 19.108 -21.392 1.00 0.00 H new ATOM 495 N LYS A 33 -3.101 18.336 -25.847 1.00 0.00 N ATOM 496 CA LYS A 33 -3.526 17.081 -26.456 1.00 0.00 C ATOM 497 C LYS A 33 -2.415 16.530 -27.357 1.00 0.00 C ATOM 498 O LYS A 33 -2.047 15.361 -27.234 1.00 0.00 O ATOM 499 CB LYS A 33 -4.880 17.286 -27.150 1.00 0.00 C ATOM 500 CG LYS A 33 -5.493 16.019 -27.770 1.00 0.00 C ATOM 501 CD LYS A 33 -4.943 15.606 -29.149 1.00 0.00 C ATOM 502 CE LYS A 33 -4.978 16.719 -30.206 1.00 0.00 C ATOM 503 NZ LYS A 33 -6.322 17.307 -30.350 1.00 0.00 N ATOM 0 H LYS A 33 -3.722 19.122 -26.040 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.689 16.311 -25.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.584 17.694 -26.425 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.760 18.034 -27.934 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.342 15.191 -27.078 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.569 16.167 -27.860 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.914 15.268 -29.029 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.518 14.755 -29.516 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.269 17.500 -29.932 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.654 16.317 -31.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.323 17.981 -31.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.013 16.552 -30.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.580 17.803 -29.473 1.00 0.00 H new ATOM 517 N VAL A 34 -1.844 17.358 -28.238 1.00 0.00 N ATOM 518 CA VAL A 34 -0.700 16.944 -29.050 1.00 0.00 C ATOM 519 C VAL A 34 0.439 16.434 -28.156 1.00 0.00 C ATOM 520 O VAL A 34 0.991 15.365 -28.408 1.00 0.00 O ATOM 521 CB VAL A 34 -0.243 18.085 -29.979 1.00 0.00 C ATOM 522 CG1 VAL A 34 1.088 17.758 -30.671 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.303 18.351 -31.056 1.00 0.00 C ATOM 0 H VAL A 34 -2.155 18.315 -28.405 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.007 16.117 -29.690 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.106 18.969 -29.356 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.376 18.587 -31.317 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.860 17.600 -29.918 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.974 16.854 -31.270 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.967 19.159 -31.705 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.454 17.449 -31.649 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.242 18.634 -30.580 1.00 0.00 H new ATOM 533 N ALA A 35 0.789 17.180 -27.106 1.00 0.00 N ATOM 534 CA ALA A 35 1.814 16.775 -26.156 1.00 0.00 C ATOM 535 C ALA A 35 1.507 15.389 -25.591 1.00 0.00 C ATOM 536 O ALA A 35 2.364 14.512 -25.584 1.00 0.00 O ATOM 537 CB ALA A 35 1.941 17.813 -25.039 1.00 0.00 C ATOM 0 H ALA A 35 0.365 18.083 -26.895 1.00 0.00 H new ATOM 0 HA ALA A 35 2.770 16.717 -26.676 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.711 17.498 -24.335 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.214 18.777 -25.468 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.988 17.905 -24.517 1.00 0.00 H new ATOM 543 N MET A 36 0.275 15.168 -25.137 1.00 0.00 N ATOM 544 CA MET A 36 -0.145 13.882 -24.610 1.00 0.00 C ATOM 545 C MET A 36 -0.049 12.781 -25.669 1.00 0.00 C ATOM 546 O MET A 36 0.376 11.669 -25.358 1.00 0.00 O ATOM 547 CB MET A 36 -1.513 14.021 -23.939 1.00 0.00 C ATOM 548 CG MET A 36 -1.319 14.764 -22.606 1.00 0.00 C ATOM 549 SD MET A 36 -2.785 14.984 -21.573 1.00 0.00 S ATOM 550 CE MET A 36 -3.751 16.024 -22.676 1.00 0.00 C ATOM 0 H MET A 36 -0.456 15.879 -25.126 1.00 0.00 H new ATOM 0 HA MET A 36 0.542 13.556 -23.829 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.199 14.570 -24.584 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.954 13.039 -23.767 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.571 14.226 -22.023 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.906 15.749 -22.823 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.609 16.427 -22.138 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.132 16.845 -23.038 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.099 15.432 -23.522 1.00 0.00 H new ATOM 560 N ARG A 37 -0.377 13.074 -26.929 1.00 0.00 N ATOM 561 CA ARG A 37 -0.093 12.130 -28.003 1.00 0.00 C ATOM 562 C ARG A 37 1.410 11.857 -28.123 1.00 0.00 C ATOM 563 O ARG A 37 1.806 10.700 -28.241 1.00 0.00 O ATOM 564 CB ARG A 37 -0.708 12.582 -29.335 1.00 0.00 C ATOM 565 CG ARG A 37 -2.235 12.415 -29.379 1.00 0.00 C ATOM 566 CD ARG A 37 -2.630 10.964 -29.078 1.00 0.00 C ATOM 567 NE ARG A 37 -3.915 10.589 -29.676 1.00 0.00 N ATOM 568 CZ ARG A 37 -4.376 9.330 -29.684 1.00 0.00 C ATOM 569 NH1 ARG A 37 -3.793 8.385 -28.934 1.00 0.00 N ATOM 570 NH2 ARG A 37 -5.427 9.020 -30.450 1.00 0.00 N ATOM 0 H ARG A 37 -0.830 13.939 -27.224 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.570 11.185 -27.744 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.457 13.629 -29.508 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.262 12.009 -30.148 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.700 13.082 -28.653 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.609 12.703 -30.361 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.853 10.296 -29.450 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.682 10.823 -27.998 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.484 11.319 -30.105 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.991 8.620 -28.350 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.152 7.430 -28.947 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.871 9.739 -31.022 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.785 8.065 -30.463 1.00 0.00 H new ATOM 584 N ALA A 38 2.263 12.882 -28.046 1.00 0.00 N ATOM 585 CA ALA A 38 3.711 12.682 -28.027 1.00 0.00 C ATOM 586 C ALA A 38 4.139 11.807 -26.838 1.00 0.00 C ATOM 587 O ALA A 38 5.020 10.963 -26.978 1.00 0.00 O ATOM 588 CB ALA A 38 4.448 14.025 -28.044 1.00 0.00 C ATOM 0 H ALA A 38 1.974 13.859 -27.996 1.00 0.00 H new ATOM 0 HA ALA A 38 3.990 12.145 -28.933 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.524 13.850 -28.029 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.182 14.575 -28.947 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.163 14.607 -27.168 1.00 0.00 H new ATOM 594 N LEU A 39 3.490 11.973 -25.681 1.00 0.00 N ATOM 595 CA LEU A 39 3.678 11.122 -24.506 1.00 0.00 C ATOM 596 C LEU A 39 3.054 9.725 -24.684 1.00 0.00 C ATOM 597 O LEU A 39 3.144 8.896 -23.780 1.00 0.00 O ATOM 598 CB LEU A 39 3.098 11.809 -23.257 1.00 0.00 C ATOM 599 CG LEU A 39 3.767 13.144 -22.875 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.899 13.904 -21.859 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.158 12.912 -22.274 1.00 0.00 C ATOM 0 H LEU A 39 2.807 12.717 -25.534 1.00 0.00 H new ATOM 0 HA LEU A 39 4.751 10.979 -24.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.035 11.987 -23.420 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.181 11.124 -22.413 1.00 0.00 H new ATOM 0 HG LEU A 39 3.870 13.735 -23.785 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.384 14.845 -21.598 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.922 14.108 -22.296 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.775 13.298 -20.961 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.606 13.871 -22.014 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.069 12.298 -21.378 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.789 12.402 -23.002 1.00 0.00 H new ATOM 613 N GLY A 40 2.423 9.442 -25.827 1.00 0.00 N ATOM 614 CA GLY A 40 1.869 8.139 -26.159 1.00 0.00 C ATOM 615 C GLY A 40 0.552 7.857 -25.438 1.00 0.00 C ATOM 616 O GLY A 40 0.192 6.697 -25.250 1.00 0.00 O ATOM 0 H GLY A 40 2.283 10.135 -26.562 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.709 8.081 -27.236 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.592 7.365 -25.902 1.00 0.00 H new ATOM 620 N PHE A 41 -0.176 8.899 -25.028 1.00 0.00 N ATOM 621 CA PHE A 41 -1.445 8.733 -24.331 1.00 0.00 C ATOM 622 C PHE A 41 -2.571 8.436 -25.328 1.00 0.00 C ATOM 623 O PHE A 41 -2.436 8.658 -26.534 1.00 0.00 O ATOM 624 CB PHE A 41 -1.775 9.994 -23.516 1.00 0.00 C ATOM 625 CG PHE A 41 -0.879 10.345 -22.334 1.00 0.00 C ATOM 626 CD1 PHE A 41 0.304 9.633 -22.044 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.269 11.401 -21.486 1.00 0.00 C ATOM 628 CE1 PHE A 41 1.111 10.012 -20.958 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.456 11.785 -20.405 1.00 0.00 C ATOM 630 CZ PHE A 41 0.742 11.098 -20.148 1.00 0.00 C ATOM 0 H PHE A 41 0.098 9.871 -25.170 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.356 7.888 -23.648 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.771 10.843 -24.200 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.794 9.891 -23.142 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.591 8.793 -22.659 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.199 11.919 -21.668 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.018 9.466 -20.746 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.753 12.608 -19.772 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.377 11.404 -19.330 1.00 0.00 H new ATOM 640 N GLU A 42 -3.709 7.980 -24.795 1.00 0.00 N ATOM 641 CA GLU A 42 -4.971 7.809 -25.502 1.00 0.00 C ATOM 642 C GLU A 42 -5.996 8.763 -24.872 1.00 0.00 C ATOM 643 O GLU A 42 -6.608 8.396 -23.869 1.00 0.00 O ATOM 644 CB GLU A 42 -5.396 6.337 -25.392 1.00 0.00 C ATOM 645 CG GLU A 42 -6.690 6.048 -26.165 1.00 0.00 C ATOM 646 CD GLU A 42 -7.075 4.575 -26.062 1.00 0.00 C ATOM 647 OE1 GLU A 42 -7.361 4.144 -24.924 1.00 0.00 O ATOM 648 OE2 GLU A 42 -7.070 3.908 -27.119 1.00 0.00 O ATOM 0 H GLU A 42 -3.773 7.709 -23.814 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.886 8.050 -26.562 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.597 5.701 -25.773 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.536 6.079 -24.342 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.497 6.666 -25.772 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.560 6.321 -27.212 1.00 0.00 H new ATOM 655 N PRO A 43 -6.159 9.987 -25.403 1.00 0.00 N ATOM 656 CA PRO A 43 -7.100 10.975 -24.895 1.00 0.00 C ATOM 657 C PRO A 43 -8.528 10.434 -24.774 1.00 0.00 C ATOM 658 O PRO A 43 -8.997 9.716 -25.655 1.00 0.00 O ATOM 659 CB PRO A 43 -7.038 12.144 -25.885 1.00 0.00 C ATOM 660 CG PRO A 43 -5.618 12.062 -26.440 1.00 0.00 C ATOM 661 CD PRO A 43 -5.382 10.554 -26.492 1.00 0.00 C ATOM 0 HA PRO A 43 -6.829 11.273 -23.882 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.784 12.043 -26.673 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.222 13.098 -25.392 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.538 12.521 -27.425 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.898 12.565 -25.794 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.697 10.143 -27.451 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.323 10.321 -26.378 1.00 0.00 H new ATOM 669 N LYS A 44 -9.217 10.810 -23.690 1.00 0.00 N ATOM 670 CA LYS A 44 -10.623 10.519 -23.444 1.00 0.00 C ATOM 671 C LYS A 44 -11.251 11.813 -22.917 1.00 0.00 C ATOM 672 O LYS A 44 -10.794 12.344 -21.905 1.00 0.00 O ATOM 673 CB LYS A 44 -10.761 9.352 -22.455 1.00 0.00 C ATOM 674 CG LYS A 44 -9.985 8.127 -22.952 1.00 0.00 C ATOM 675 CD LYS A 44 -10.177 6.911 -22.041 1.00 0.00 C ATOM 676 CE LYS A 44 -9.438 5.696 -22.616 1.00 0.00 C ATOM 677 NZ LYS A 44 -7.980 5.908 -22.683 1.00 0.00 N ATOM 0 H LYS A 44 -8.789 11.345 -22.935 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.138 10.204 -24.351 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.388 9.652 -21.476 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.813 9.096 -22.331 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.311 7.877 -23.962 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.924 8.371 -23.011 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.803 7.134 -21.042 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.239 6.686 -21.941 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.648 4.821 -22.001 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.818 5.482 -23.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.536 5.113 -23.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.781 6.793 -23.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.593 5.968 -21.719 1.00 0.00 H new ATOM 691 N LYS A 45 -12.244 12.344 -23.640 1.00 0.00 N ATOM 692 CA LYS A 45 -12.818 13.671 -23.438 1.00 0.00 C ATOM 693 C LYS A 45 -13.002 14.071 -21.969 1.00 0.00 C ATOM 694 O LYS A 45 -12.457 15.082 -21.533 1.00 0.00 O ATOM 695 CB LYS A 45 -14.092 13.831 -24.288 1.00 0.00 C ATOM 696 CG LYS A 45 -15.214 12.823 -23.981 1.00 0.00 C ATOM 697 CD LYS A 45 -16.383 12.931 -24.970 1.00 0.00 C ATOM 698 CE LYS A 45 -16.033 12.407 -26.369 1.00 0.00 C ATOM 699 NZ LYS A 45 -17.217 12.394 -27.246 1.00 0.00 N ATOM 0 H LYS A 45 -12.683 11.839 -24.410 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.083 14.393 -23.793 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.481 14.839 -24.144 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.822 13.741 -25.340 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.809 11.812 -24.011 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.581 12.989 -22.968 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.234 12.372 -24.581 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.693 13.973 -25.045 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.257 13.032 -26.811 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.624 11.400 -26.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.950 12.035 -28.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.947 11.778 -26.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.591 13.360 -27.338 1.00 0.00 H new ATOM 713 N GLU A 46 -13.768 13.291 -21.206 1.00 0.00 N ATOM 714 CA GLU A 46 -14.069 13.600 -19.813 1.00 0.00 C ATOM 715 C GLU A 46 -12.794 13.689 -18.964 1.00 0.00 C ATOM 716 O GLU A 46 -12.582 14.682 -18.268 1.00 0.00 O ATOM 717 CB GLU A 46 -15.130 12.633 -19.251 1.00 0.00 C ATOM 718 CG GLU A 46 -14.706 11.163 -19.084 1.00 0.00 C ATOM 719 CD GLU A 46 -14.119 10.568 -20.358 1.00 0.00 C ATOM 720 OE1 GLU A 46 -14.863 10.513 -21.361 1.00 0.00 O ATOM 721 OE2 GLU A 46 -12.903 10.284 -20.338 1.00 0.00 O ATOM 0 H GLU A 46 -14.196 12.427 -21.539 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.513 14.594 -19.765 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.450 13.007 -18.279 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -16.000 12.664 -19.907 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.971 11.091 -18.283 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.570 10.573 -18.778 1.00 0.00 H new ATOM 728 N GLU A 47 -11.935 12.666 -19.034 1.00 0.00 N ATOM 729 CA GLU A 47 -10.680 12.634 -18.295 1.00 0.00 C ATOM 730 C GLU A 47 -9.828 13.850 -18.657 1.00 0.00 C ATOM 731 O GLU A 47 -9.359 14.565 -17.775 1.00 0.00 O ATOM 732 CB GLU A 47 -9.930 11.329 -18.596 1.00 0.00 C ATOM 733 CG GLU A 47 -10.611 10.116 -17.944 1.00 0.00 C ATOM 734 CD GLU A 47 -10.050 8.795 -18.467 1.00 0.00 C ATOM 735 OE1 GLU A 47 -8.823 8.750 -18.705 1.00 0.00 O ATOM 736 OE2 GLU A 47 -10.858 7.854 -18.624 1.00 0.00 O ATOM 0 H GLU A 47 -12.096 11.838 -19.607 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.890 12.671 -17.226 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.878 11.180 -19.675 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.904 11.408 -18.235 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.479 10.163 -16.863 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.683 10.156 -18.136 1.00 0.00 H new ATOM 743 N ILE A 48 -9.642 14.085 -19.959 1.00 0.00 N ATOM 744 CA ILE A 48 -8.890 15.217 -20.483 1.00 0.00 C ATOM 745 C ILE A 48 -9.441 16.519 -19.900 1.00 0.00 C ATOM 746 O ILE A 48 -8.686 17.298 -19.324 1.00 0.00 O ATOM 747 CB ILE A 48 -8.934 15.189 -22.024 1.00 0.00 C ATOM 748 CG1 ILE A 48 -8.120 14.005 -22.579 1.00 0.00 C ATOM 749 CG2 ILE A 48 -8.475 16.510 -22.655 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.608 14.250 -22.619 1.00 0.00 C ATOM 0 H ILE A 48 -10.019 13.479 -20.688 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.844 15.152 -20.184 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.979 15.054 -22.302 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.319 13.124 -21.969 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.468 13.780 -23.587 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.527 16.432 -23.741 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.123 17.319 -22.318 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.448 16.719 -22.355 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.107 13.370 -23.022 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.396 15.111 -23.253 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.244 14.444 -21.610 1.00 0.00 H new ATOM 762 N LYS A 49 -10.747 16.756 -20.038 1.00 0.00 N ATOM 763 CA LYS A 49 -11.397 17.955 -19.549 1.00 0.00 C ATOM 764 C LYS A 49 -11.132 18.139 -18.053 1.00 0.00 C ATOM 765 O LYS A 49 -10.725 19.217 -17.624 1.00 0.00 O ATOM 766 CB LYS A 49 -12.896 17.866 -19.865 1.00 0.00 C ATOM 767 CG LYS A 49 -13.594 19.198 -19.592 1.00 0.00 C ATOM 768 CD LYS A 49 -15.091 19.089 -19.903 1.00 0.00 C ATOM 769 CE LYS A 49 -15.785 20.431 -19.649 1.00 0.00 C ATOM 770 NZ LYS A 49 -17.229 20.351 -19.934 1.00 0.00 N ATOM 0 H LYS A 49 -11.384 16.107 -20.500 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.989 18.834 -20.048 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.035 17.586 -20.909 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.353 17.082 -19.261 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.452 19.483 -18.550 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.145 19.983 -20.201 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.233 18.789 -20.941 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.543 18.315 -19.283 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.633 20.731 -18.612 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.331 21.201 -20.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.670 21.275 -19.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.372 20.089 -20.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.665 19.633 -19.321 1.00 0.00 H new ATOM 784 N LYS A 50 -11.375 17.097 -17.254 1.00 0.00 N ATOM 785 CA LYS A 50 -11.217 17.188 -15.809 1.00 0.00 C ATOM 786 C LYS A 50 -9.753 17.483 -15.459 1.00 0.00 C ATOM 787 O LYS A 50 -9.472 18.432 -14.728 1.00 0.00 O ATOM 788 CB LYS A 50 -11.734 15.899 -15.144 1.00 0.00 C ATOM 789 CG LYS A 50 -12.449 16.137 -13.806 1.00 0.00 C ATOM 790 CD LYS A 50 -11.563 16.794 -12.742 1.00 0.00 C ATOM 791 CE LYS A 50 -12.297 16.816 -11.396 1.00 0.00 C ATOM 792 NZ LYS A 50 -11.514 17.515 -10.362 1.00 0.00 N ATOM 0 H LYS A 50 -11.682 16.183 -17.588 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.813 18.014 -15.421 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.419 15.398 -15.828 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.895 15.223 -14.982 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.322 16.766 -13.978 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.813 15.183 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.626 16.245 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.308 17.810 -13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.263 17.307 -11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.497 15.794 -11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.009 17.452 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.576 17.073 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.403 18.515 -10.627 1.00 0.00 H new ATOM 806 N MET A 51 -8.815 16.700 -15.994 1.00 0.00 N ATOM 807 CA MET A 51 -7.394 16.887 -15.760 1.00 0.00 C ATOM 808 C MET A 51 -6.985 18.318 -16.124 1.00 0.00 C ATOM 809 O MET A 51 -6.439 19.043 -15.290 1.00 0.00 O ATOM 810 CB MET A 51 -6.635 15.809 -16.547 1.00 0.00 C ATOM 811 CG MET A 51 -5.164 15.702 -16.137 1.00 0.00 C ATOM 812 SD MET A 51 -4.027 16.967 -16.762 1.00 0.00 S ATOM 813 CE MET A 51 -4.032 16.584 -18.526 1.00 0.00 C ATOM 0 H MET A 51 -9.029 15.913 -16.607 1.00 0.00 H new ATOM 0 HA MET A 51 -7.143 16.768 -14.706 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.121 14.845 -16.396 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.695 16.033 -17.612 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.117 15.716 -15.048 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.795 14.729 -16.460 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.226 17.128 -19.019 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.886 15.513 -18.666 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.987 16.879 -18.960 1.00 0.00 H new ATOM 823 N ILE A 52 -7.313 18.747 -17.348 1.00 0.00 N ATOM 824 CA ILE A 52 -7.092 20.117 -17.786 1.00 0.00 C ATOM 825 C ILE A 52 -7.669 21.087 -16.759 1.00 0.00 C ATOM 826 O ILE A 52 -6.961 21.996 -16.354 1.00 0.00 O ATOM 827 CB ILE A 52 -7.635 20.350 -19.212 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.682 19.668 -20.212 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.759 21.848 -19.539 1.00 0.00 C ATOM 830 CD1 ILE A 52 -7.167 19.735 -21.663 1.00 0.00 C ATOM 0 H ILE A 52 -7.738 18.150 -18.057 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.020 20.305 -17.847 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.635 19.923 -19.282 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.700 20.137 -20.144 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.557 18.623 -19.927 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.144 21.969 -20.551 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.442 22.319 -18.832 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.779 22.319 -19.466 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.447 19.235 -22.311 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.135 19.240 -21.746 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.265 20.777 -21.966 1.00 0.00 H new ATOM 842 N SER A 53 -8.917 20.911 -16.314 1.00 0.00 N ATOM 843 CA SER A 53 -9.522 21.838 -15.365 1.00 0.00 C ATOM 844 C SER A 53 -8.706 21.927 -14.069 1.00 0.00 C ATOM 845 O SER A 53 -8.445 23.023 -13.581 1.00 0.00 O ATOM 846 CB SER A 53 -11.007 21.506 -15.129 1.00 0.00 C ATOM 847 OG SER A 53 -11.199 20.481 -14.178 1.00 0.00 O ATOM 0 H SER A 53 -9.521 20.139 -16.596 1.00 0.00 H new ATOM 0 HA SER A 53 -9.500 22.836 -15.802 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.526 22.405 -14.796 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.461 21.207 -16.074 1.00 0.00 H new ATOM 0 HG SER A 53 -10.597 19.734 -14.376 1.00 0.00 H new ATOM 853 N GLU A 54 -8.274 20.779 -13.533 1.00 0.00 N ATOM 854 CA GLU A 54 -7.461 20.738 -12.324 1.00 0.00 C ATOM 855 C GLU A 54 -6.165 21.530 -12.515 1.00 0.00 C ATOM 856 O GLU A 54 -5.793 22.325 -11.655 1.00 0.00 O ATOM 857 CB GLU A 54 -7.163 19.286 -11.929 1.00 0.00 C ATOM 858 CG GLU A 54 -8.436 18.565 -11.466 1.00 0.00 C ATOM 859 CD GLU A 54 -8.195 17.087 -11.170 1.00 0.00 C ATOM 860 OE1 GLU A 54 -7.491 16.445 -11.980 1.00 0.00 O ATOM 861 OE2 GLU A 54 -8.742 16.619 -10.147 1.00 0.00 O ATOM 0 H GLU A 54 -8.480 19.861 -13.927 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.022 21.204 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.730 18.757 -12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.421 19.268 -11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.821 19.053 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.203 18.658 -12.235 1.00 0.00 H new ATOM 868 N ILE A 55 -5.465 21.304 -13.628 1.00 0.00 N ATOM 869 CA ILE A 55 -4.207 21.999 -13.887 1.00 0.00 C ATOM 870 C ILE A 55 -4.460 23.478 -14.221 1.00 0.00 C ATOM 871 O ILE A 55 -3.662 24.348 -13.869 1.00 0.00 O ATOM 872 CB ILE A 55 -3.428 21.265 -14.996 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.161 19.785 -14.660 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.098 21.965 -15.302 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.519 19.534 -13.291 1.00 0.00 C ATOM 0 H ILE A 55 -5.747 20.650 -14.358 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.591 21.987 -12.988 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.067 21.298 -15.878 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.105 19.242 -14.706 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.514 19.365 -15.430 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.574 21.422 -16.088 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.292 22.985 -15.633 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.482 21.986 -14.403 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.372 18.463 -13.149 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.556 20.042 -13.242 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.172 19.918 -12.507 1.00 0.00 H new ATOM 887 N ASP A 56 -5.566 23.777 -14.903 1.00 0.00 N ATOM 888 CA ASP A 56 -5.904 25.103 -15.391 1.00 0.00 C ATOM 889 C ASP A 56 -6.511 25.924 -14.254 1.00 0.00 C ATOM 890 O ASP A 56 -7.698 26.243 -14.258 1.00 0.00 O ATOM 891 CB ASP A 56 -6.845 24.985 -16.598 1.00 0.00 C ATOM 892 CG ASP A 56 -7.156 26.332 -17.240 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.676 27.354 -16.708 1.00 0.00 O ATOM 894 OD2 ASP A 56 -7.868 26.321 -18.268 1.00 0.00 O ATOM 0 H ASP A 56 -6.270 23.076 -15.135 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.008 25.624 -15.729 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.393 24.329 -17.342 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.776 24.515 -16.282 1.00 0.00 H new ATOM 899 N LYS A 57 -5.671 26.291 -13.290 1.00 0.00 N ATOM 900 CA LYS A 57 -6.048 27.183 -12.207 1.00 0.00 C ATOM 901 C LYS A 57 -6.438 28.568 -12.738 1.00 0.00 C ATOM 902 O LYS A 57 -7.377 29.175 -12.229 1.00 0.00 O ATOM 903 CB LYS A 57 -4.897 27.285 -11.196 1.00 0.00 C ATOM 904 CG LYS A 57 -4.458 25.929 -10.621 1.00 0.00 C ATOM 905 CD LYS A 57 -5.568 25.074 -9.985 1.00 0.00 C ATOM 906 CE LYS A 57 -6.204 25.692 -8.730 1.00 0.00 C ATOM 907 NZ LYS A 57 -7.261 26.670 -9.048 1.00 0.00 N ATOM 0 H LYS A 57 -4.703 25.973 -13.242 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.923 26.771 -11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.042 27.759 -11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.202 27.936 -10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.995 25.351 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.689 26.107 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.348 24.903 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.156 24.099 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.624 24.898 -8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.429 26.180 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.914 26.750 -8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.830 27.597 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.785 26.354 -9.889 1.00 0.00 H new ATOM 951 N GLY A 61 -8.137 27.763 -20.651 1.00 0.00 N ATOM 952 CA GLY A 61 -8.070 27.103 -21.950 1.00 0.00 C ATOM 953 C GLY A 61 -6.625 26.874 -22.391 1.00 0.00 C ATOM 954 O GLY A 61 -6.369 26.018 -23.244 1.00 0.00 O ATOM 0 HA2 GLY A 61 -8.592 26.147 -21.900 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.586 27.710 -22.694 1.00 0.00 H new ATOM 958 N THR A 62 -5.681 27.619 -21.804 1.00 0.00 N ATOM 959 CA THR A 62 -4.262 27.368 -21.960 1.00 0.00 C ATOM 960 C THR A 62 -3.681 26.930 -20.612 1.00 0.00 C ATOM 961 O THR A 62 -4.338 27.063 -19.581 1.00 0.00 O ATOM 962 CB THR A 62 -3.556 28.596 -22.557 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.444 29.652 -21.620 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.287 29.155 -23.784 1.00 0.00 C ATOM 0 H THR A 62 -5.892 28.417 -21.205 1.00 0.00 H new ATOM 0 HA THR A 62 -4.096 26.557 -22.669 1.00 0.00 H new ATOM 0 HB THR A 62 -2.568 28.237 -22.845 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.765 30.289 -21.925 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.747 30.021 -24.166 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.338 28.389 -24.557 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.297 29.453 -23.501 1.00 0.00 H new ATOM 972 N ILE A 63 -2.459 26.394 -20.631 1.00 0.00 N ATOM 973 CA ILE A 63 -1.698 25.982 -19.465 1.00 0.00 C ATOM 974 C ILE A 63 -0.419 26.826 -19.439 1.00 0.00 C ATOM 975 O ILE A 63 0.386 26.759 -20.368 1.00 0.00 O ATOM 976 CB ILE A 63 -1.387 24.474 -19.553 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.629 23.599 -19.809 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.647 23.996 -18.298 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.698 23.664 -18.713 1.00 0.00 C ATOM 0 H ILE A 63 -1.956 26.231 -21.503 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.258 26.139 -18.543 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.742 24.354 -20.424 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.080 23.900 -20.755 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.309 22.563 -19.924 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.438 22.930 -18.383 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.291 24.542 -18.198 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.267 24.176 -17.420 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.533 23.017 -18.980 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.270 23.332 -17.767 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.052 24.690 -18.611 1.00 0.00 H new ATOM 991 N ASP A 64 -0.246 27.645 -18.400 1.00 0.00 N ATOM 992 CA ASP A 64 0.950 28.445 -18.168 1.00 0.00 C ATOM 993 C ASP A 64 2.117 27.557 -17.733 1.00 0.00 C ATOM 994 O ASP A 64 1.906 26.447 -17.246 1.00 0.00 O ATOM 995 CB ASP A 64 0.643 29.504 -17.096 1.00 0.00 C ATOM 996 CG ASP A 64 1.890 30.287 -16.698 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.329 31.110 -17.527 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.426 29.991 -15.607 1.00 0.00 O ATOM 0 H ASP A 64 -0.956 27.771 -17.679 1.00 0.00 H new ATOM 0 HA ASP A 64 1.240 28.941 -19.094 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.114 30.193 -17.472 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.223 29.018 -16.215 1.00 0.00 H new ATOM 1003 N PHE A 65 3.347 28.064 -17.869 1.00 0.00 N ATOM 1004 CA PHE A 65 4.551 27.376 -17.423 1.00 0.00 C ATOM 1005 C PHE A 65 4.411 26.858 -15.992 1.00 0.00 C ATOM 1006 O PHE A 65 4.691 25.691 -15.746 1.00 0.00 O ATOM 1007 CB PHE A 65 5.781 28.280 -17.562 1.00 0.00 C ATOM 1008 CG PHE A 65 7.054 27.660 -17.013 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.491 26.409 -17.489 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.738 28.275 -15.948 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.633 25.803 -16.936 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.875 27.665 -15.390 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.331 26.434 -15.892 1.00 0.00 C ATOM 0 H PHE A 65 3.530 28.972 -18.296 1.00 0.00 H new ATOM 0 HA PHE A 65 4.690 26.509 -18.069 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.928 28.520 -18.615 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.591 29.220 -17.044 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.948 25.914 -18.280 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.388 29.219 -15.558 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.974 24.851 -17.314 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.398 28.143 -14.575 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.215 25.974 -15.477 1.00 0.00 H new ATOM 1023 N GLU A 66 3.957 27.688 -15.049 1.00 0.00 N ATOM 1024 CA GLU A 66 3.819 27.263 -13.660 1.00 0.00 C ATOM 1025 C GLU A 66 2.780 26.144 -13.519 1.00 0.00 C ATOM 1026 O GLU A 66 2.983 25.188 -12.771 1.00 0.00 O ATOM 1027 CB GLU A 66 3.478 28.464 -12.769 1.00 0.00 C ATOM 1028 CG GLU A 66 4.600 29.515 -12.762 1.00 0.00 C ATOM 1029 CD GLU A 66 5.908 28.980 -12.183 1.00 0.00 C ATOM 1030 OE1 GLU A 66 5.864 28.503 -11.028 1.00 0.00 O ATOM 1031 OE2 GLU A 66 6.925 29.053 -12.905 1.00 0.00 O ATOM 0 H GLU A 66 3.681 28.654 -15.224 1.00 0.00 H new ATOM 0 HA GLU A 66 4.774 26.854 -13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.553 28.923 -13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.298 28.120 -11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.774 29.861 -13.781 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.278 30.380 -12.182 1.00 0.00 H new ATOM 1038 N GLU A 67 1.662 26.244 -14.241 1.00 0.00 N ATOM 1039 CA GLU A 67 0.634 25.212 -14.222 1.00 0.00 C ATOM 1040 C GLU A 67 1.212 23.896 -14.769 1.00 0.00 C ATOM 1041 O GLU A 67 1.070 22.838 -14.155 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.597 25.690 -15.008 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.286 26.904 -14.360 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.443 27.432 -15.213 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.185 27.719 -16.399 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.564 27.560 -14.679 1.00 0.00 O ATOM 0 H GLU A 67 1.449 27.036 -14.848 1.00 0.00 H new ATOM 0 HA GLU A 67 0.308 25.022 -13.199 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.296 25.948 -16.023 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.312 24.871 -15.086 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.660 26.625 -13.375 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.555 27.698 -14.210 1.00 0.00 H new ATOM 1053 N PHE A 68 1.906 23.967 -15.909 1.00 0.00 N ATOM 1054 CA PHE A 68 2.559 22.817 -16.525 1.00 0.00 C ATOM 1055 C PHE A 68 3.588 22.203 -15.571 1.00 0.00 C ATOM 1056 O PHE A 68 3.630 20.991 -15.375 1.00 0.00 O ATOM 1057 CB PHE A 68 3.216 23.255 -17.839 1.00 0.00 C ATOM 1058 CG PHE A 68 3.893 22.131 -18.596 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.126 21.246 -19.375 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.295 22.011 -18.577 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.756 20.231 -20.116 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.925 21.019 -19.349 1.00 0.00 C ATOM 1063 CZ PHE A 68 5.156 20.113 -20.094 1.00 0.00 C ATOM 0 H PHE A 68 2.029 24.834 -16.432 1.00 0.00 H new ATOM 0 HA PHE A 68 1.815 22.050 -16.739 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.458 23.705 -18.480 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.952 24.029 -17.624 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.051 21.346 -19.404 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.887 22.680 -17.970 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.165 19.543 -20.702 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.003 20.955 -19.368 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.640 19.324 -20.651 1.00 0.00 H new ATOM 1073 N LEU A 69 4.416 23.051 -14.962 1.00 0.00 N ATOM 1074 CA LEU A 69 5.391 22.674 -13.955 1.00 0.00 C ATOM 1075 C LEU A 69 4.690 21.936 -12.818 1.00 0.00 C ATOM 1076 O LEU A 69 5.137 20.865 -12.423 1.00 0.00 O ATOM 1077 CB LEU A 69 6.132 23.933 -13.482 1.00 0.00 C ATOM 1078 CG LEU A 69 7.109 23.731 -12.314 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.234 22.752 -12.667 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.705 25.096 -11.942 1.00 0.00 C ATOM 0 H LEU A 69 4.422 24.050 -15.167 1.00 0.00 H new ATOM 0 HA LEU A 69 6.134 21.991 -14.367 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.684 24.346 -14.326 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.393 24.679 -13.189 1.00 0.00 H new ATOM 0 HG LEU A 69 6.563 23.302 -11.474 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.900 22.640 -11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.806 21.783 -12.923 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.797 23.136 -13.518 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.403 24.975 -11.113 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.232 25.510 -12.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.905 25.774 -11.646 1.00 0.00 H new ATOM 1092 N THR A 70 3.581 22.473 -12.304 1.00 0.00 N ATOM 1093 CA THR A 70 2.803 21.812 -11.261 1.00 0.00 C ATOM 1094 C THR A 70 2.369 20.415 -11.721 1.00 0.00 C ATOM 1095 O THR A 70 2.603 19.431 -11.017 1.00 0.00 O ATOM 1096 CB THR A 70 1.609 22.686 -10.842 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.067 23.967 -10.459 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.865 22.084 -9.646 1.00 0.00 C ATOM 0 H THR A 70 3.201 23.373 -12.599 1.00 0.00 H new ATOM 0 HA THR A 70 3.429 21.681 -10.378 1.00 0.00 H new ATOM 0 HB THR A 70 0.935 22.746 -11.696 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.331 24.472 -11.256 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.027 22.728 -9.377 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.492 21.094 -9.910 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.545 22.001 -8.799 1.00 0.00 H new ATOM 1106 N MET A 71 1.764 20.317 -12.911 1.00 0.00 N ATOM 1107 CA MET A 71 1.373 19.034 -13.486 1.00 0.00 C ATOM 1108 C MET A 71 2.564 18.072 -13.485 1.00 0.00 C ATOM 1109 O MET A 71 2.458 16.950 -12.997 1.00 0.00 O ATOM 1110 CB MET A 71 0.826 19.236 -14.906 1.00 0.00 C ATOM 1111 CG MET A 71 0.240 17.943 -15.490 1.00 0.00 C ATOM 1112 SD MET A 71 -0.323 18.051 -17.210 1.00 0.00 S ATOM 1113 CE MET A 71 1.248 18.307 -18.068 1.00 0.00 C ATOM 0 H MET A 71 1.535 21.121 -13.495 1.00 0.00 H new ATOM 0 HA MET A 71 0.582 18.595 -12.878 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.056 20.008 -14.891 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.625 19.596 -15.554 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.994 17.159 -15.421 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.600 17.632 -14.869 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.261 19.301 -18.515 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.070 18.218 -17.357 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.362 17.556 -18.850 1.00 0.00 H new ATOM 1123 N MET A 72 3.699 18.511 -14.028 1.00 0.00 N ATOM 1124 CA MET A 72 4.903 17.701 -14.114 1.00 0.00 C ATOM 1125 C MET A 72 5.403 17.308 -12.721 1.00 0.00 C ATOM 1126 O MET A 72 5.810 16.168 -12.524 1.00 0.00 O ATOM 1127 CB MET A 72 5.969 18.443 -14.931 1.00 0.00 C ATOM 1128 CG MET A 72 5.559 18.597 -16.406 1.00 0.00 C ATOM 1129 SD MET A 72 6.335 17.460 -17.591 1.00 0.00 S ATOM 1130 CE MET A 72 5.829 15.852 -16.941 1.00 0.00 C ATOM 0 H MET A 72 3.805 19.446 -14.422 1.00 0.00 H new ATOM 0 HA MET A 72 4.674 16.770 -14.632 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.138 19.428 -14.497 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.913 17.902 -14.872 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.478 18.473 -16.473 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.783 19.617 -16.717 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.159 15.065 -17.619 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.279 15.698 -15.960 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.743 15.821 -16.851 1.00 0.00 H new