USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 363 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -170:sc= 0 (180deg=-0.095) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -160:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0.0067 USER MOD Single : A 31 SER OG : rot -82:sc= 1.2 USER MOD Single : A 39 HIS : no HD1:sc= -0.837 X(o=-0.84,f=-0.62) USER MOD Single : A 41 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.05) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 32.641 22.898 9.322 1.00 0.00 N ATOM 2 CA ARG A 1 31.623 23.882 8.855 1.00 0.00 C ATOM 3 C ARG A 1 30.227 23.370 9.198 1.00 0.00 C ATOM 4 O ARG A 1 29.367 24.133 9.637 1.00 0.00 O ATOM 5 CB ARG A 1 31.756 24.067 7.342 1.00 0.00 C ATOM 6 CG ARG A 1 30.822 25.186 6.878 1.00 0.00 C ATOM 7 CD ARG A 1 30.915 25.332 5.358 1.00 0.00 C ATOM 8 NE ARG A 1 30.122 26.481 4.909 1.00 0.00 N ATOM 9 CZ ARG A 1 28.809 26.413 4.640 1.00 0.00 C ATOM 10 NH1 ARG A 1 28.125 25.302 4.765 1.00 0.00 N ATOM 11 NH2 ARG A 1 28.192 27.492 4.242 1.00 0.00 N ATOM 0 H1 ARG A 1 33.590 23.317 9.244 1.00 0.00 H new ATOM 0 H2 ARG A 1 32.453 22.648 10.314 1.00 0.00 H new ATOM 0 H3 ARG A 1 32.591 22.042 8.734 1.00 0.00 H new ATOM 0 HA ARG A 1 31.782 24.841 9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 1 32.787 24.310 7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 1 31.510 23.138 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 1 29.796 24.962 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 1 31.094 26.124 7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 1 31.956 25.461 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 1 30.556 24.423 4.876 1.00 0.00 H new ATOM 0 HE ARG A 1 30.593 27.379 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 1 28.590 24.449 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 1 27.128 25.290 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 1 28.708 28.366 4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 1 27.194 27.461 4.032 1.00 0.00 H new ATOM 25 N SER A 2 30.005 22.077 8.982 1.00 0.00 N ATOM 26 CA SER A 2 28.715 21.464 9.297 1.00 0.00 C ATOM 27 C SER A 2 28.331 21.645 10.770 1.00 0.00 C ATOM 28 O SER A 2 27.147 21.629 11.106 1.00 0.00 O ATOM 29 CB SER A 2 28.762 19.972 8.965 1.00 0.00 C ATOM 30 OG SER A 2 29.122 19.810 7.600 1.00 0.00 O ATOM 0 H SER A 2 30.696 21.435 8.593 1.00 0.00 H new ATOM 0 HA SER A 2 27.958 21.965 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.484 19.467 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.791 19.514 9.155 1.00 0.00 H new ATOM 0 HG SER A 2 29.155 18.855 7.382 1.00 0.00 H new ATOM 36 N LEU A 3 29.322 21.803 11.645 1.00 0.00 N ATOM 37 CA LEU A 3 29.060 21.963 13.075 1.00 0.00 C ATOM 38 C LEU A 3 28.136 23.152 13.368 1.00 0.00 C ATOM 39 O LEU A 3 27.427 23.154 14.375 1.00 0.00 O ATOM 40 CB LEU A 3 30.391 22.157 13.807 1.00 0.00 C ATOM 41 CG LEU A 3 30.163 22.156 15.320 1.00 0.00 C ATOM 42 CD1 LEU A 3 29.773 20.750 15.778 1.00 0.00 C ATOM 43 CD2 LEU A 3 31.454 22.578 16.026 1.00 0.00 C ATOM 0 H LEU A 3 30.310 21.824 11.391 1.00 0.00 H new ATOM 0 HA LEU A 3 28.554 21.064 13.425 1.00 0.00 H new ATOM 0 HB2 LEU A 3 31.084 21.361 13.535 1.00 0.00 H new ATOM 0 HB3 LEU A 3 30.850 23.097 13.501 1.00 0.00 H new ATOM 0 HG LEU A 3 29.363 22.854 15.568 1.00 0.00 H new ATOM 0 HD11 LEU A 3 29.611 20.750 16.856 1.00 0.00 H new ATOM 0 HD12 LEU A 3 28.857 20.444 15.273 1.00 0.00 H new ATOM 0 HD13 LEU A 3 30.573 20.052 15.532 1.00 0.00 H new ATOM 0 HD21 LEU A 3 31.295 22.579 17.104 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.251 21.877 15.777 1.00 0.00 H new ATOM 0 HD23 LEU A 3 31.736 23.579 15.700 1.00 0.00 H new ATOM 55 N LEU A 4 28.130 24.151 12.488 1.00 0.00 N ATOM 56 CA LEU A 4 27.322 25.353 12.697 1.00 0.00 C ATOM 57 C LEU A 4 25.832 25.033 12.860 1.00 0.00 C ATOM 58 O LEU A 4 25.091 25.817 13.452 1.00 0.00 O ATOM 59 CB LEU A 4 27.502 26.318 11.521 1.00 0.00 C ATOM 60 CG LEU A 4 28.980 26.685 11.358 1.00 0.00 C ATOM 61 CD1 LEU A 4 29.147 27.579 10.128 1.00 0.00 C ATOM 62 CD2 LEU A 4 29.465 27.447 12.595 1.00 0.00 C ATOM 0 H LEU A 4 28.674 24.153 11.625 1.00 0.00 H new ATOM 0 HA LEU A 4 27.670 25.813 13.622 1.00 0.00 H new ATOM 0 HB2 LEU A 4 27.131 25.859 10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 4 26.912 27.219 11.688 1.00 0.00 H new ATOM 0 HG LEU A 4 29.564 25.772 11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 4 30.198 27.842 10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 4 28.804 27.046 9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 4 28.558 28.487 10.256 1.00 0.00 H new ATOM 0 HD21 LEU A 4 30.517 27.706 12.474 1.00 0.00 H new ATOM 0 HD22 LEU A 4 28.879 28.358 12.714 1.00 0.00 H new ATOM 0 HD23 LEU A 4 29.345 26.820 13.479 1.00 0.00 H new ATOM 74 N GLU A 5 25.391 23.895 12.329 1.00 0.00 N ATOM 75 CA GLU A 5 23.970 23.545 12.362 1.00 0.00 C ATOM 76 C GLU A 5 23.490 23.207 13.780 1.00 0.00 C ATOM 77 O GLU A 5 22.302 23.334 14.078 1.00 0.00 O ATOM 78 CB GLU A 5 23.724 22.351 11.435 1.00 0.00 C ATOM 79 CG GLU A 5 22.219 22.127 11.254 1.00 0.00 C ATOM 80 CD GLU A 5 21.595 23.247 10.421 1.00 0.00 C ATOM 81 OE1 GLU A 5 22.304 23.858 9.635 1.00 0.00 O ATOM 82 OE2 GLU A 5 20.408 23.478 10.582 1.00 0.00 O ATOM 0 H GLU A 5 25.989 23.205 11.875 1.00 0.00 H new ATOM 0 HA GLU A 5 23.403 24.412 12.024 1.00 0.00 H new ATOM 0 HB2 GLU A 5 24.192 22.530 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 5 24.185 21.456 11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 5 22.046 21.167 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.735 22.081 12.229 1.00 0.00 H new ATOM 89 N GLY A 6 24.404 22.811 14.665 1.00 0.00 N ATOM 90 CA GLY A 6 24.054 22.577 16.066 1.00 0.00 C ATOM 91 C GLY A 6 23.456 21.190 16.326 1.00 0.00 C ATOM 92 O GLY A 6 23.276 20.814 17.485 1.00 0.00 O ATOM 0 H GLY A 6 25.385 22.646 14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 6 24.946 22.700 16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 6 23.341 23.337 16.385 1.00 0.00 H new ATOM 96 N GLU A 7 23.146 20.430 15.274 1.00 0.00 N ATOM 97 CA GLU A 7 22.593 19.089 15.452 1.00 0.00 C ATOM 98 C GLU A 7 23.525 18.235 16.307 1.00 0.00 C ATOM 99 O GLU A 7 24.746 18.356 16.217 1.00 0.00 O ATOM 100 CB GLU A 7 22.389 18.411 14.097 1.00 0.00 C ATOM 101 CG GLU A 7 21.358 19.195 13.278 1.00 0.00 C ATOM 102 CD GLU A 7 21.049 18.509 11.943 1.00 0.00 C ATOM 103 OE1 GLU A 7 21.747 17.574 11.576 1.00 0.00 O ATOM 104 OE2 GLU A 7 20.104 18.933 11.299 1.00 0.00 O ATOM 0 H GLU A 7 23.267 20.716 14.302 1.00 0.00 H new ATOM 0 HA GLU A 7 21.631 19.185 15.955 1.00 0.00 H new ATOM 0 HB2 GLU A 7 23.335 18.362 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 7 22.050 17.385 14.240 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.439 19.298 13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.732 20.202 13.091 1.00 0.00 H new ATOM 111 N ILE A 8 22.944 17.371 17.135 1.00 0.00 N ATOM 112 CA ILE A 8 23.741 16.502 17.994 1.00 0.00 C ATOM 113 C ILE A 8 24.704 15.658 17.150 1.00 0.00 C ATOM 114 O ILE A 8 24.361 15.308 16.018 1.00 0.00 O ATOM 115 CB ILE A 8 22.822 15.591 18.818 1.00 0.00 C ATOM 116 CG1 ILE A 8 21.987 14.689 17.889 1.00 0.00 C ATOM 117 CG2 ILE A 8 21.896 16.465 19.671 1.00 0.00 C ATOM 118 CD1 ILE A 8 22.700 13.351 17.660 1.00 0.00 C ATOM 0 H ILE A 8 21.935 17.255 17.229 1.00 0.00 H new ATOM 0 HA ILE A 8 24.326 17.122 18.674 1.00 0.00 H new ATOM 0 HB ILE A 8 23.426 14.952 19.462 1.00 0.00 H new ATOM 0 HG12 ILE A 8 21.005 14.514 18.328 1.00 0.00 H new ATOM 0 HG13 ILE A 8 21.825 15.190 16.935 1.00 0.00 H new ATOM 0 HG21 ILE A 8 21.237 15.829 20.262 1.00 0.00 H new ATOM 0 HG22 ILE A 8 22.494 17.086 20.338 1.00 0.00 H new ATOM 0 HG23 ILE A 8 21.297 17.103 19.021 1.00 0.00 H new ATOM 0 HD11 ILE A 8 22.097 12.725 17.002 1.00 0.00 H new ATOM 0 HD12 ILE A 8 23.672 13.531 17.200 1.00 0.00 H new ATOM 0 HD13 ILE A 8 22.839 12.844 18.615 1.00 0.00 H new ATOM 130 N PRO A 9 25.893 15.352 17.630 1.00 0.00 N ATOM 131 CA PRO A 9 26.847 14.502 16.854 1.00 0.00 C ATOM 132 C PRO A 9 26.235 13.148 16.507 1.00 0.00 C ATOM 133 O PRO A 9 25.472 12.586 17.293 1.00 0.00 O ATOM 134 CB PRO A 9 28.066 14.342 17.772 1.00 0.00 C ATOM 135 CG PRO A 9 27.595 14.711 19.136 1.00 0.00 C ATOM 136 CD PRO A 9 26.469 15.721 18.938 1.00 0.00 C ATOM 0 HA PRO A 9 27.110 14.956 15.899 1.00 0.00 H new ATOM 0 HB2 PRO A 9 28.440 13.319 17.751 1.00 0.00 H new ATOM 0 HB3 PRO A 9 28.884 14.987 17.452 1.00 0.00 H new ATOM 0 HG2 PRO A 9 27.240 13.833 19.676 1.00 0.00 H new ATOM 0 HG3 PRO A 9 28.405 15.141 19.725 1.00 0.00 H new ATOM 0 HD2 PRO A 9 25.728 15.656 19.735 1.00 0.00 H new ATOM 0 HD3 PRO A 9 26.845 16.744 18.936 1.00 0.00 H new ATOM 144 N PHE A 10 26.567 12.628 15.328 1.00 0.00 N ATOM 145 CA PHE A 10 26.120 11.294 14.936 1.00 0.00 C ATOM 146 C PHE A 10 26.577 10.265 15.972 1.00 0.00 C ATOM 147 O PHE A 10 27.653 10.436 16.548 1.00 0.00 O ATOM 148 CB PHE A 10 26.694 10.925 13.567 1.00 0.00 C ATOM 149 CG PHE A 10 26.244 11.843 12.457 1.00 0.00 C ATOM 150 CD1 PHE A 10 26.957 13.018 12.187 1.00 0.00 C ATOM 151 CD2 PHE A 10 25.115 11.520 11.695 1.00 0.00 C ATOM 152 CE1 PHE A 10 26.541 13.868 11.156 1.00 0.00 C ATOM 153 CE2 PHE A 10 24.699 12.370 10.665 1.00 0.00 C ATOM 154 CZ PHE A 10 25.413 13.544 10.394 1.00 0.00 C ATOM 0 H PHE A 10 27.140 13.106 14.632 1.00 0.00 H new ATOM 0 HA PHE A 10 25.031 11.294 14.880 1.00 0.00 H new ATOM 0 HB2 PHE A 10 27.782 10.941 13.622 1.00 0.00 H new ATOM 0 HB3 PHE A 10 26.402 9.903 13.323 1.00 0.00 H new ATOM 0 HD1 PHE A 10 27.828 13.268 12.775 1.00 0.00 H new ATOM 0 HD2 PHE A 10 24.565 10.614 11.903 1.00 0.00 H new ATOM 0 HE1 PHE A 10 27.091 14.774 10.948 1.00 0.00 H new ATOM 0 HE2 PHE A 10 23.827 12.121 10.079 1.00 0.00 H new ATOM 0 HZ PHE A 10 25.093 14.199 9.597 1.00 0.00 H new ATOM 164 N PRO A 11 25.815 9.222 16.231 1.00 0.00 N ATOM 165 CA PRO A 11 26.203 8.232 17.282 1.00 0.00 C ATOM 166 C PRO A 11 27.605 7.670 17.017 1.00 0.00 C ATOM 167 O PRO A 11 27.987 7.499 15.851 1.00 0.00 O ATOM 168 CB PRO A 11 25.141 7.133 17.189 1.00 0.00 C ATOM 169 CG PRO A 11 23.972 7.762 16.511 1.00 0.00 C ATOM 170 CD PRO A 11 24.538 8.844 15.594 1.00 0.00 C ATOM 0 HA PRO A 11 26.244 8.680 18.275 1.00 0.00 H new ATOM 0 HB2 PRO A 11 25.510 6.278 16.622 1.00 0.00 H new ATOM 0 HB3 PRO A 11 24.869 6.766 18.179 1.00 0.00 H new ATOM 0 HG2 PRO A 11 23.410 7.023 15.940 1.00 0.00 H new ATOM 0 HG3 PRO A 11 23.284 8.191 17.240 1.00 0.00 H new ATOM 0 HD2 PRO A 11 24.693 8.469 14.582 1.00 0.00 H new ATOM 0 HD3 PRO A 11 23.862 9.696 15.518 1.00 0.00 H new ATOM 178 N PRO A 12 28.396 7.407 18.040 1.00 0.00 N ATOM 179 CA PRO A 12 29.795 6.933 17.822 1.00 0.00 C ATOM 180 C PRO A 12 29.845 5.637 17.016 1.00 0.00 C ATOM 181 O PRO A 12 30.787 5.408 16.255 1.00 0.00 O ATOM 182 CB PRO A 12 30.366 6.739 19.231 1.00 0.00 C ATOM 183 CG PRO A 12 29.185 6.653 20.138 1.00 0.00 C ATOM 184 CD PRO A 12 28.081 7.477 19.481 1.00 0.00 C ATOM 0 HA PRO A 12 30.373 7.648 17.237 1.00 0.00 H new ATOM 0 HB2 PRO A 12 30.969 5.833 19.287 1.00 0.00 H new ATOM 0 HB3 PRO A 12 31.013 7.571 19.509 1.00 0.00 H new ATOM 0 HG2 PRO A 12 28.871 5.618 20.271 1.00 0.00 H new ATOM 0 HG3 PRO A 12 29.425 7.043 21.127 1.00 0.00 H new ATOM 0 HD2 PRO A 12 27.094 7.066 19.695 1.00 0.00 H new ATOM 0 HD3 PRO A 12 28.082 8.506 19.841 1.00 0.00 H new ATOM 192 N THR A 13 28.826 4.791 17.167 1.00 0.00 N ATOM 193 CA THR A 13 28.774 3.561 16.382 1.00 0.00 C ATOM 194 C THR A 13 28.737 3.864 14.884 1.00 0.00 C ATOM 195 O THR A 13 29.345 3.149 14.082 1.00 0.00 O ATOM 196 CB THR A 13 27.547 2.734 16.778 1.00 0.00 C ATOM 197 OG1 THR A 13 27.484 1.569 15.969 1.00 0.00 O ATOM 198 CG2 THR A 13 26.275 3.562 16.588 1.00 0.00 C ATOM 0 H THR A 13 28.045 4.930 17.808 1.00 0.00 H new ATOM 0 HA THR A 13 29.677 2.988 16.592 1.00 0.00 H new ATOM 0 HB THR A 13 27.629 2.447 17.826 1.00 0.00 H new ATOM 0 HG1 THR A 13 26.700 1.037 16.222 1.00 0.00 H new ATOM 0 HG21 THR A 13 25.407 2.966 16.872 1.00 0.00 H new ATOM 0 HG22 THR A 13 26.324 4.453 17.214 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.186 3.857 15.543 1.00 0.00 H new ATOM 206 N SER A 14 28.061 4.950 14.505 1.00 0.00 N ATOM 207 CA SER A 14 27.988 5.316 13.096 1.00 0.00 C ATOM 208 C SER A 14 29.371 5.630 12.537 1.00 0.00 C ATOM 209 O SER A 14 29.746 5.131 11.469 1.00 0.00 O ATOM 210 CB SER A 14 27.071 6.526 12.920 1.00 0.00 C ATOM 211 OG SER A 14 25.807 6.239 13.504 1.00 0.00 O ATOM 0 H SER A 14 27.567 5.577 15.140 1.00 0.00 H new ATOM 0 HA SER A 14 27.582 4.468 12.545 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.512 7.404 13.391 1.00 0.00 H new ATOM 0 HB3 SER A 14 26.953 6.758 11.861 1.00 0.00 H new ATOM 0 HG SER A 14 25.131 6.845 13.135 1.00 0.00 H new ATOM 217 N ILE A 15 30.151 6.429 13.273 1.00 0.00 N ATOM 218 CA ILE A 15 31.503 6.734 12.805 1.00 0.00 C ATOM 219 C ILE A 15 32.346 5.464 12.669 1.00 0.00 C ATOM 220 O ILE A 15 33.220 5.384 11.802 1.00 0.00 O ATOM 221 CB ILE A 15 32.197 7.797 13.674 1.00 0.00 C ATOM 222 CG1 ILE A 15 33.471 8.256 12.958 1.00 0.00 C ATOM 223 CG2 ILE A 15 32.544 7.270 15.072 1.00 0.00 C ATOM 224 CD1 ILE A 15 33.961 9.568 13.571 1.00 0.00 C ATOM 0 H ILE A 15 29.884 6.860 14.158 1.00 0.00 H new ATOM 0 HA ILE A 15 31.406 7.168 11.810 1.00 0.00 H new ATOM 0 HB ILE A 15 31.508 8.631 13.811 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.244 7.492 13.044 1.00 0.00 H new ATOM 0 HG13 ILE A 15 33.274 8.391 11.895 1.00 0.00 H new ATOM 0 HG21 ILE A 15 33.032 8.057 15.647 1.00 0.00 H new ATOM 0 HG22 ILE A 15 31.631 6.961 15.581 1.00 0.00 H new ATOM 0 HG23 ILE A 15 33.216 6.416 14.983 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.867 9.892 13.060 1.00 0.00 H new ATOM 0 HD12 ILE A 15 33.190 10.331 13.462 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.175 9.418 14.629 1.00 0.00 H new ATOM 236 N LEU A 16 32.069 4.452 13.498 1.00 0.00 N ATOM 237 CA LEU A 16 32.762 3.174 13.346 1.00 0.00 C ATOM 238 C LEU A 16 32.503 2.579 11.963 1.00 0.00 C ATOM 239 O LEU A 16 33.393 1.970 11.363 1.00 0.00 O ATOM 240 CB LEU A 16 32.310 2.187 14.425 1.00 0.00 C ATOM 241 CG LEU A 16 33.178 0.929 14.362 1.00 0.00 C ATOM 242 CD1 LEU A 16 34.584 1.249 14.871 1.00 0.00 C ATOM 243 CD2 LEU A 16 32.558 -0.160 15.240 1.00 0.00 C ATOM 0 H LEU A 16 31.390 4.491 14.259 1.00 0.00 H new ATOM 0 HA LEU A 16 33.831 3.356 13.456 1.00 0.00 H new ATOM 0 HB2 LEU A 16 32.389 2.647 15.410 1.00 0.00 H new ATOM 0 HB3 LEU A 16 31.262 1.926 14.278 1.00 0.00 H new ATOM 0 HG LEU A 16 33.236 0.581 13.331 1.00 0.00 H new ATOM 0 HD11 LEU A 16 35.201 0.351 14.825 1.00 0.00 H new ATOM 0 HD12 LEU A 16 35.028 2.026 14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 16 34.527 1.598 15.902 1.00 0.00 H new ATOM 0 HD21 LEU A 16 33.175 -1.058 15.197 1.00 0.00 H new ATOM 0 HD22 LEU A 16 32.501 0.192 16.270 1.00 0.00 H new ATOM 0 HD23 LEU A 16 31.556 -0.391 14.880 1.00 0.00 H new ATOM 255 N LEU A 17 31.295 2.792 11.430 1.00 0.00 N ATOM 256 CA LEU A 17 31.019 2.356 10.062 1.00 0.00 C ATOM 257 C LEU A 17 31.966 3.034 9.072 1.00 0.00 C ATOM 258 O LEU A 17 32.380 2.424 8.083 1.00 0.00 O ATOM 259 CB LEU A 17 29.568 2.663 9.672 1.00 0.00 C ATOM 260 CG LEU A 17 28.597 2.004 10.659 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.162 2.365 10.269 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.754 0.481 10.615 1.00 0.00 C ATOM 0 H LEU A 17 30.518 3.248 11.908 1.00 0.00 H new ATOM 0 HA LEU A 17 31.177 1.278 10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.408 3.741 9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.372 2.301 8.663 1.00 0.00 H new ATOM 0 HG LEU A 17 28.816 2.361 11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 17 26.467 1.899 10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 27.038 3.447 10.301 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.958 2.006 9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.060 0.023 11.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.539 0.122 9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.775 0.213 10.885 1.00 0.00 H new ATOM 274 N LEU A 18 32.341 4.286 9.355 1.00 0.00 N ATOM 275 CA LEU A 18 33.335 4.957 8.513 1.00 0.00 C ATOM 276 C LEU A 18 34.657 4.192 8.513 1.00 0.00 C ATOM 277 O LEU A 18 35.353 4.138 7.497 1.00 0.00 O ATOM 278 CB LEU A 18 33.579 6.394 8.982 1.00 0.00 C ATOM 279 CG LEU A 18 34.456 7.120 7.958 1.00 0.00 C ATOM 280 CD1 LEU A 18 33.654 7.380 6.682 1.00 0.00 C ATOM 281 CD2 LEU A 18 34.923 8.455 8.542 1.00 0.00 C ATOM 0 H LEU A 18 31.985 4.840 10.134 1.00 0.00 H new ATOM 0 HA LEU A 18 32.936 4.980 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.630 6.916 9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.065 6.392 9.958 1.00 0.00 H new ATOM 0 HG LEU A 18 35.321 6.500 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 18 34.282 7.897 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.320 6.431 6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.787 7.998 6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 35.547 8.972 7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 18 34.056 9.071 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 18 35.499 8.274 9.450 1.00 0.00 H new ATOM 293 N LEU A 19 34.993 3.571 9.647 1.00 0.00 N ATOM 294 CA LEU A 19 36.176 2.709 9.690 1.00 0.00 C ATOM 295 C LEU A 19 36.051 1.568 8.678 1.00 0.00 C ATOM 296 O LEU A 19 37.030 1.182 8.034 1.00 0.00 O ATOM 297 CB LEU A 19 36.359 2.138 11.100 1.00 0.00 C ATOM 298 CG LEU A 19 37.758 1.516 11.246 1.00 0.00 C ATOM 299 CD1 LEU A 19 38.223 1.628 12.701 1.00 0.00 C ATOM 300 CD2 LEU A 19 37.720 0.035 10.839 1.00 0.00 C ATOM 0 H LEU A 19 34.479 3.645 10.525 1.00 0.00 H new ATOM 0 HA LEU A 19 37.048 3.309 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.225 2.927 11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.596 1.385 11.297 1.00 0.00 H new ATOM 0 HG LEU A 19 38.452 2.051 10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.214 1.186 12.801 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.263 2.678 12.991 1.00 0.00 H new ATOM 0 HD13 LEU A 19 37.523 1.099 13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.715 -0.397 10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.021 -0.501 11.481 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.397 -0.049 9.801 1.00 0.00 H new ATOM 312 N ALA A 20 34.824 1.087 8.474 1.00 0.00 N ATOM 313 CA ALA A 20 34.584 0.071 7.455 1.00 0.00 C ATOM 314 C ALA A 20 34.944 0.597 6.068 1.00 0.00 C ATOM 315 O ALA A 20 35.517 -0.122 5.245 1.00 0.00 O ATOM 316 CB ALA A 20 33.114 -0.349 7.477 1.00 0.00 C ATOM 0 H ALA A 20 33.996 1.380 8.992 1.00 0.00 H new ATOM 0 HA ALA A 20 35.215 -0.790 7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.941 -1.108 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.867 -0.757 8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.485 0.518 7.276 1.00 0.00 H new ATOM 322 N CYS A 21 34.640 1.872 5.823 1.00 0.00 N ATOM 323 CA CYS A 21 34.997 2.475 4.541 1.00 0.00 C ATOM 324 C CYS A 21 36.508 2.440 4.329 1.00 0.00 C ATOM 325 O CYS A 21 36.985 2.227 3.211 1.00 0.00 O ATOM 326 CB CYS A 21 34.500 3.920 4.475 1.00 0.00 C ATOM 327 SG CYS A 21 32.703 3.948 4.691 1.00 0.00 S ATOM 0 H CYS A 21 34.161 2.492 6.476 1.00 0.00 H new ATOM 0 HA CYS A 21 34.519 1.896 3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.980 4.517 5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.769 4.365 3.517 1.00 0.00 H new ATOM 0 HG CYS A 21 32.279 5.176 4.638 1.00 0.00 H new ATOM 333 N ILE A 22 37.268 2.643 5.407 1.00 0.00 N ATOM 334 CA ILE A 22 38.722 2.562 5.302 1.00 0.00 C ATOM 335 C ILE A 22 39.154 1.174 4.831 1.00 0.00 C ATOM 336 O ILE A 22 40.106 1.043 4.054 1.00 0.00 O ATOM 337 CB ILE A 22 39.371 2.882 6.655 1.00 0.00 C ATOM 338 CG1 ILE A 22 38.885 4.242 7.182 1.00 0.00 C ATOM 339 CG2 ILE A 22 40.896 2.911 6.506 1.00 0.00 C ATOM 340 CD1 ILE A 22 39.193 5.373 6.190 1.00 0.00 C ATOM 0 H ILE A 22 36.912 2.859 6.338 1.00 0.00 H new ATOM 0 HA ILE A 22 39.052 3.296 4.567 1.00 0.00 H new ATOM 0 HB ILE A 22 39.085 2.106 7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.811 4.200 7.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 39.363 4.455 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 22 41.351 3.139 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 22 41.246 1.939 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 22 41.176 3.676 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.836 6.320 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 22 40.269 5.431 6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 22 38.693 5.172 5.242 1.00 0.00 H new ATOM 352 N PHE A 23 38.427 0.136 5.250 1.00 0.00 N ATOM 353 CA PHE A 23 38.712 -1.198 4.727 1.00 0.00 C ATOM 354 C PHE A 23 38.557 -1.230 3.207 1.00 0.00 C ATOM 355 O PHE A 23 39.297 -1.938 2.520 1.00 0.00 O ATOM 356 CB PHE A 23 37.790 -2.245 5.354 1.00 0.00 C ATOM 357 CG PHE A 23 38.136 -3.658 4.943 1.00 0.00 C ATOM 358 CD1 PHE A 23 37.547 -4.218 3.803 1.00 0.00 C ATOM 359 CD2 PHE A 23 39.054 -4.403 5.695 1.00 0.00 C ATOM 360 CE1 PHE A 23 37.873 -5.524 3.416 1.00 0.00 C ATOM 361 CE2 PHE A 23 39.379 -5.709 5.307 1.00 0.00 C ATOM 362 CZ PHE A 23 38.789 -6.269 4.168 1.00 0.00 C ATOM 0 H PHE A 23 37.664 0.189 5.925 1.00 0.00 H new ATOM 0 HA PHE A 23 39.743 -1.436 4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.844 -2.165 6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 23 36.760 -2.031 5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.841 -3.643 3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 23 39.511 -3.971 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.418 -5.956 2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 23 40.085 -6.284 5.887 1.00 0.00 H new ATOM 0 HZ PHE A 23 39.040 -7.276 3.869 1.00 0.00 H new ATOM 372 N LEU A 24 37.596 -0.464 2.679 1.00 0.00 N ATOM 373 CA LEU A 24 37.420 -0.400 1.231 1.00 0.00 C ATOM 374 C LEU A 24 38.649 0.144 0.503 1.00 0.00 C ATOM 375 O LEU A 24 38.984 -0.367 -0.568 1.00 0.00 O ATOM 376 CB LEU A 24 36.207 0.466 0.882 1.00 0.00 C ATOM 377 CG LEU A 24 35.893 0.340 -0.611 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.323 -1.049 -0.904 1.00 0.00 C ATOM 379 CD2 LEU A 24 34.862 1.401 -1.004 1.00 0.00 C ATOM 0 H LEU A 24 36.945 0.106 3.220 1.00 0.00 H new ATOM 0 HA LEU A 24 37.266 -1.425 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 24 35.345 0.155 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 24 36.407 1.507 1.134 1.00 0.00 H new ATOM 0 HG LEU A 24 36.809 0.484 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 24 35.101 -1.134 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 24 36.053 -1.808 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 24 34.408 -1.196 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 24 34.637 1.313 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 24 33.950 1.253 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 35.265 2.393 -0.799 1.00 0.00 H new ATOM 391 N ILE A 25 39.337 1.146 1.071 1.00 0.00 N ATOM 392 CA ILE A 25 40.565 1.627 0.422 1.00 0.00 C ATOM 393 C ILE A 25 41.630 0.532 0.327 1.00 0.00 C ATOM 394 O ILE A 25 42.378 0.469 -0.652 1.00 0.00 O ATOM 395 CB ILE A 25 41.132 2.914 1.052 1.00 0.00 C ATOM 396 CG1 ILE A 25 41.749 2.671 2.448 1.00 0.00 C ATOM 397 CG2 ILE A 25 40.013 3.957 1.147 1.00 0.00 C ATOM 398 CD1 ILE A 25 43.035 3.489 2.621 1.00 0.00 C ATOM 0 H ILE A 25 39.081 1.620 1.937 1.00 0.00 H new ATOM 0 HA ILE A 25 40.271 1.894 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 25 41.937 3.273 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 25 41.031 2.945 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 25 41.966 1.611 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.405 4.872 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 25 39.632 4.173 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.205 3.569 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 25 43.454 3.304 3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 25 43.758 3.195 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 25 42.808 4.550 2.516 1.00 0.00 H new ATOM 410 N ALA A 26 41.629 -0.396 1.287 1.00 0.00 N ATOM 411 CA ALA A 26 42.624 -1.462 1.283 1.00 0.00 C ATOM 412 C ALA A 26 42.389 -2.443 0.139 1.00 0.00 C ATOM 413 O ALA A 26 43.271 -2.647 -0.704 1.00 0.00 O ATOM 414 CB ALA A 26 42.581 -2.214 2.615 1.00 0.00 C ATOM 0 H ALA A 26 40.964 -0.429 2.060 1.00 0.00 H new ATOM 0 HA ALA A 26 43.604 -1.005 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 26 43.326 -3.010 2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 26 42.796 -1.523 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 26 41.590 -2.646 2.757 1.00 0.00 H new ATOM 420 N ILE A 27 41.198 -3.038 0.095 1.00 0.00 N ATOM 421 CA ILE A 27 40.903 -3.990 -0.971 1.00 0.00 C ATOM 422 C ILE A 27 41.024 -3.341 -2.352 1.00 0.00 C ATOM 423 O ILE A 27 41.376 -4.009 -3.324 1.00 0.00 O ATOM 424 CB ILE A 27 39.513 -4.611 -0.766 1.00 0.00 C ATOM 425 CG1 ILE A 27 39.318 -5.756 -1.762 1.00 0.00 C ATOM 426 CG2 ILE A 27 38.410 -3.567 -0.964 1.00 0.00 C ATOM 427 CD1 ILE A 27 40.203 -6.937 -1.361 1.00 0.00 C ATOM 0 H ILE A 27 40.443 -2.884 0.764 1.00 0.00 H new ATOM 0 HA ILE A 27 41.644 -4.788 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 27 39.449 -4.988 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 27 38.272 -6.062 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 27 39.571 -5.424 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 27 37.436 -4.033 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 27 38.541 -2.759 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 27 38.467 -3.165 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.064 -7.753 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 27 41.248 -6.626 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.928 -7.275 -0.362 1.00 0.00 H new ATOM 439 N LEU A 28 40.743 -2.038 -2.444 1.00 0.00 N ATOM 440 CA LEU A 28 40.927 -1.326 -3.706 1.00 0.00 C ATOM 441 C LEU A 28 42.383 -1.378 -4.166 1.00 0.00 C ATOM 442 O LEU A 28 42.661 -1.483 -5.363 1.00 0.00 O ATOM 443 CB LEU A 28 40.485 0.129 -3.546 1.00 0.00 C ATOM 444 CG LEU A 28 40.529 0.834 -4.902 1.00 0.00 C ATOM 445 CD1 LEU A 28 39.425 0.279 -5.803 1.00 0.00 C ATOM 446 CD2 LEU A 28 40.309 2.335 -4.699 1.00 0.00 C ATOM 0 H LEU A 28 40.394 -1.466 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 28 40.316 -1.815 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 28 39.475 0.169 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 28 41.136 0.641 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 28 41.499 0.664 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 28 39.457 0.782 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 28 39.575 -0.791 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 28 38.455 0.450 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 28 40.340 2.841 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 28 39.338 2.501 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 28 41.093 2.734 -4.055 1.00 0.00 H new ATOM 458 N ALA A 29 43.314 -1.357 -3.211 1.00 0.00 N ATOM 459 CA ALA A 29 44.725 -1.510 -3.556 1.00 0.00 C ATOM 460 C ALA A 29 44.974 -2.867 -4.207 1.00 0.00 C ATOM 461 O ALA A 29 45.706 -2.975 -5.195 1.00 0.00 O ATOM 462 CB ALA A 29 45.586 -1.378 -2.298 1.00 0.00 C ATOM 0 H ALA A 29 43.122 -1.238 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 29 44.994 -0.727 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 29 46.637 -1.493 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 29 45.430 -0.396 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 29 45.305 -2.151 -1.582 1.00 0.00 H new ATOM 468 N ALA A 30 44.320 -3.898 -3.675 1.00 0.00 N ATOM 469 CA ALA A 30 44.469 -5.234 -4.241 1.00 0.00 C ATOM 470 C ALA A 30 43.980 -5.273 -5.686 1.00 0.00 C ATOM 471 O ALA A 30 44.588 -5.924 -6.539 1.00 0.00 O ATOM 472 CB ALA A 30 43.692 -6.253 -3.405 1.00 0.00 C ATOM 0 H ALA A 30 43.696 -3.836 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 30 45.529 -5.490 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 30 43.812 -7.246 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 30 44.075 -6.254 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.635 -5.986 -3.396 1.00 0.00 H new ATOM 478 N SER A 31 42.890 -4.559 -5.967 1.00 0.00 N ATOM 479 CA SER A 31 42.372 -4.515 -7.331 1.00 0.00 C ATOM 480 C SER A 31 43.395 -3.917 -8.295 1.00 0.00 C ATOM 481 O SER A 31 43.499 -4.352 -9.444 1.00 0.00 O ATOM 482 CB SER A 31 41.075 -3.708 -7.387 1.00 0.00 C ATOM 483 OG SER A 31 41.378 -2.321 -7.334 1.00 0.00 O ATOM 0 H SER A 31 42.360 -4.016 -5.285 1.00 0.00 H new ATOM 0 HA SER A 31 42.169 -5.541 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 31 40.531 -3.938 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 31 40.427 -3.982 -6.554 1.00 0.00 H new ATOM 0 HG SER A 31 41.520 -2.053 -6.402 1.00 0.00 H new ATOM 489 N ALA A 32 44.181 -2.946 -7.824 1.00 0.00 N ATOM 490 CA ALA A 32 45.222 -2.375 -8.671 1.00 0.00 C ATOM 491 C ALA A 32 46.222 -3.452 -9.079 1.00 0.00 C ATOM 492 O ALA A 32 46.662 -3.507 -10.232 1.00 0.00 O ATOM 493 CB ALA A 32 45.947 -1.254 -7.923 1.00 0.00 C ATOM 0 H ALA A 32 44.118 -2.550 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 32 44.757 -1.967 -9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 32 46.723 -0.833 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 32 45.234 -0.474 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 32 46.401 -1.656 -7.017 1.00 0.00 H new ATOM 499 N LEU A 33 46.563 -4.331 -8.134 1.00 0.00 N ATOM 500 CA LEU A 33 47.451 -5.443 -8.461 1.00 0.00 C ATOM 501 C LEU A 33 46.842 -6.330 -9.547 1.00 0.00 C ATOM 502 O LEU A 33 47.559 -6.854 -10.402 1.00 0.00 O ATOM 503 CB LEU A 33 47.743 -6.282 -7.207 1.00 0.00 C ATOM 504 CG LEU A 33 48.888 -5.691 -6.366 1.00 0.00 C ATOM 505 CD1 LEU A 33 50.210 -5.775 -7.134 1.00 0.00 C ATOM 506 CD2 LEU A 33 48.604 -4.230 -5.993 1.00 0.00 C ATOM 0 H LEU A 33 46.248 -4.296 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 33 48.385 -5.026 -8.838 1.00 0.00 H new ATOM 0 HB2 LEU A 33 46.842 -6.346 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 33 48.000 -7.299 -7.504 1.00 0.00 H new ATOM 0 HG LEU A 33 48.963 -6.276 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 51.011 -5.353 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 33 50.435 -6.818 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 33 50.126 -5.214 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 49.430 -3.839 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 48.497 -3.637 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 33 47.682 -4.175 -5.413 1.00 0.00 H new ATOM 518 N TRP A 34 45.514 -6.480 -9.536 1.00 0.00 N ATOM 519 CA TRP A 34 44.846 -7.198 -10.625 1.00 0.00 C ATOM 520 C TRP A 34 45.112 -6.530 -11.975 1.00 0.00 C ATOM 521 O TRP A 34 45.210 -7.203 -13.004 1.00 0.00 O ATOM 522 CB TRP A 34 43.338 -7.278 -10.385 1.00 0.00 C ATOM 523 CG TRP A 34 42.644 -8.226 -11.310 1.00 0.00 C ATOM 524 CD1 TRP A 34 41.870 -7.861 -12.358 1.00 0.00 C ATOM 525 CD2 TRP A 34 42.651 -9.684 -11.296 1.00 0.00 C ATOM 526 NE1 TRP A 34 41.401 -8.998 -12.987 1.00 0.00 N ATOM 527 CE2 TRP A 34 41.853 -10.148 -12.370 1.00 0.00 C ATOM 528 CE3 TRP A 34 43.263 -10.638 -10.465 1.00 0.00 C ATOM 529 CZ2 TRP A 34 41.672 -11.512 -12.611 1.00 0.00 C ATOM 530 CZ3 TRP A 34 43.082 -12.009 -10.703 1.00 0.00 C ATOM 531 CH2 TRP A 34 42.290 -12.446 -11.773 1.00 0.00 C ATOM 0 H TRP A 34 44.895 -6.125 -8.807 1.00 0.00 H new ATOM 0 HA TRP A 34 45.257 -8.207 -10.645 1.00 0.00 H new ATOM 0 HB2 TRP A 34 43.156 -7.587 -9.355 1.00 0.00 H new ATOM 0 HB3 TRP A 34 42.905 -6.285 -10.501 1.00 0.00 H new ATOM 0 HD1 TRP A 34 41.654 -6.845 -12.655 1.00 0.00 H new ATOM 0 HE1 TRP A 34 40.795 -8.989 -13.807 1.00 0.00 H new ATOM 0 HE3 TRP A 34 43.877 -10.314 -9.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 41.060 -11.843 -13.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 43.557 -12.733 -10.057 1.00 0.00 H new ATOM 0 HH2 TRP A 34 42.157 -13.503 -11.951 1.00 0.00 H new ATOM 542 N ALA A 35 45.278 -5.206 -11.965 1.00 0.00 N ATOM 543 CA ALA A 35 45.647 -4.495 -13.184 1.00 0.00 C ATOM 544 C ALA A 35 46.986 -4.997 -13.713 1.00 0.00 C ATOM 545 O ALA A 35 47.182 -5.110 -14.923 1.00 0.00 O ATOM 546 CB ALA A 35 45.740 -2.995 -12.905 1.00 0.00 C ATOM 0 H ALA A 35 45.165 -4.616 -11.141 1.00 0.00 H new ATOM 0 HA ALA A 35 44.879 -4.679 -13.935 1.00 0.00 H new ATOM 0 HB1 ALA A 35 46.016 -2.471 -13.820 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.775 -2.630 -12.555 1.00 0.00 H new ATOM 0 HB3 ALA A 35 46.496 -2.813 -12.141 1.00 0.00 H new ATOM 552 N ALA A 36 47.905 -5.300 -12.799 1.00 0.00 N ATOM 553 CA ALA A 36 49.164 -5.926 -13.191 1.00 0.00 C ATOM 554 C ALA A 36 48.922 -7.278 -13.860 1.00 0.00 C ATOM 555 O ALA A 36 49.625 -7.648 -14.801 1.00 0.00 O ATOM 556 CB ALA A 36 50.053 -6.123 -11.962 1.00 0.00 C ATOM 0 H ALA A 36 47.805 -5.126 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 36 49.659 -5.268 -13.905 1.00 0.00 H new ATOM 0 HB1 ALA A 36 50.991 -6.591 -12.262 1.00 0.00 H new ATOM 0 HB2 ALA A 36 50.260 -5.156 -11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 36 49.542 -6.763 -11.243 1.00 0.00 H new ATOM 562 N ALA A 37 47.925 -8.013 -13.373 1.00 0.00 N ATOM 563 CA ALA A 37 47.543 -9.278 -13.997 1.00 0.00 C ATOM 564 C ALA A 37 47.104 -9.090 -15.451 1.00 0.00 C ATOM 565 O ALA A 37 47.306 -9.971 -16.284 1.00 0.00 O ATOM 566 CB ALA A 37 46.400 -9.919 -13.209 1.00 0.00 C ATOM 0 H ALA A 37 47.371 -7.758 -12.555 1.00 0.00 H new ATOM 0 HA ALA A 37 48.421 -9.924 -13.988 1.00 0.00 H new ATOM 0 HB1 ALA A 37 46.119 -10.862 -13.678 1.00 0.00 H new ATOM 0 HB2 ALA A 37 46.724 -10.105 -12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 37 45.542 -9.247 -13.201 1.00 0.00 H new ATOM 572 N TRP A 38 46.500 -7.942 -15.746 1.00 0.00 N ATOM 573 CA TRP A 38 46.061 -7.643 -17.109 1.00 0.00 C ATOM 574 C TRP A 38 47.206 -7.711 -18.122 1.00 0.00 C ATOM 575 O TRP A 38 46.973 -7.958 -19.306 1.00 0.00 O ATOM 576 CB TRP A 38 45.433 -6.249 -17.154 1.00 0.00 C ATOM 577 CG TRP A 38 44.675 -5.983 -18.416 1.00 0.00 C ATOM 578 CD1 TRP A 38 45.033 -5.089 -19.367 1.00 0.00 C ATOM 579 CD2 TRP A 38 43.442 -6.604 -18.880 1.00 0.00 C ATOM 580 NE1 TRP A 38 44.097 -5.121 -20.384 1.00 0.00 N ATOM 581 CE2 TRP A 38 43.096 -6.038 -20.132 1.00 0.00 C ATOM 582 CE3 TRP A 38 42.598 -7.591 -18.343 1.00 0.00 C ATOM 583 CZ2 TRP A 38 41.952 -6.441 -20.824 1.00 0.00 C ATOM 584 CZ3 TRP A 38 41.447 -7.998 -19.036 1.00 0.00 C ATOM 585 CH2 TRP A 38 41.125 -7.425 -20.273 1.00 0.00 C ATOM 0 H TRP A 38 46.304 -7.207 -15.066 1.00 0.00 H new ATOM 0 HA TRP A 38 45.330 -8.403 -17.385 1.00 0.00 H new ATOM 0 HB2 TRP A 38 44.761 -6.133 -16.303 1.00 0.00 H new ATOM 0 HB3 TRP A 38 46.218 -5.501 -17.045 1.00 0.00 H new ATOM 0 HD1 TRP A 38 45.907 -4.455 -19.336 1.00 0.00 H new ATOM 0 HE1 TRP A 38 44.141 -4.538 -21.220 1.00 0.00 H new ATOM 0 HE3 TRP A 38 42.837 -8.040 -17.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 41.708 -5.996 -21.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 40.806 -8.757 -18.613 1.00 0.00 H new ATOM 0 HH2 TRP A 38 40.238 -7.743 -20.801 1.00 0.00 H new ATOM 596 N HIS A 39 48.439 -7.493 -17.667 1.00 0.00 N ATOM 597 CA HIS A 39 49.589 -7.509 -18.567 1.00 0.00 C ATOM 598 C HIS A 39 49.720 -8.832 -19.325 1.00 0.00 C ATOM 599 O HIS A 39 50.292 -8.865 -20.415 1.00 0.00 O ATOM 600 CB HIS A 39 50.872 -7.256 -17.774 1.00 0.00 C ATOM 601 CG HIS A 39 50.908 -5.906 -17.108 1.00 0.00 C ATOM 602 ND1 HIS A 39 50.430 -4.763 -17.728 1.00 0.00 N ATOM 603 CD2 HIS A 39 51.368 -5.502 -15.879 1.00 0.00 C ATOM 604 CE1 HIS A 39 50.610 -3.736 -16.880 1.00 0.00 C ATOM 605 NE2 HIS A 39 51.177 -4.129 -15.737 1.00 0.00 N ATOM 0 H HIS A 39 48.665 -7.305 -16.690 1.00 0.00 H new ATOM 0 HA HIS A 39 49.432 -6.719 -19.301 1.00 0.00 H new ATOM 0 HB2 HIS A 39 50.979 -8.030 -17.014 1.00 0.00 H new ATOM 0 HB3 HIS A 39 51.728 -7.345 -18.443 1.00 0.00 H new ATOM 0 HD2 HIS A 39 51.810 -6.149 -15.136 1.00 0.00 H new ATOM 0 HE1 HIS A 39 50.330 -2.716 -17.097 1.00 0.00 H new ATOM 0 HE2 HIS A 39 51.418 -3.549 -14.933 1.00 0.00 H new ATOM 613 N GLY A 40 49.196 -9.917 -18.759 1.00 0.00 N ATOM 614 CA GLY A 40 49.339 -11.232 -19.377 1.00 0.00 C ATOM 615 C GLY A 40 48.794 -11.259 -20.805 1.00 0.00 C ATOM 616 O GLY A 40 49.294 -12.009 -21.645 1.00 0.00 O ATOM 0 H GLY A 40 48.674 -9.912 -17.883 1.00 0.00 H new ATOM 0 HA2 GLY A 40 50.391 -11.515 -19.386 1.00 0.00 H new ATOM 0 HA3 GLY A 40 48.814 -11.974 -18.775 1.00 0.00 H new ATOM 620 N GLN A 41 47.775 -10.449 -21.081 1.00 0.00 N ATOM 621 CA GLN A 41 47.207 -10.390 -22.424 1.00 0.00 C ATOM 622 C GLN A 41 48.277 -10.011 -23.442 1.00 0.00 C ATOM 623 O GLN A 41 49.141 -9.180 -23.165 1.00 0.00 O ATOM 624 CB GLN A 41 46.078 -9.355 -22.455 1.00 0.00 C ATOM 625 CG GLN A 41 45.382 -9.374 -23.819 1.00 0.00 C ATOM 626 CD GLN A 41 44.513 -10.619 -23.947 1.00 0.00 C ATOM 627 OE1 GLN A 41 43.545 -10.782 -23.205 1.00 0.00 O ATOM 628 NE2 GLN A 41 44.802 -11.513 -24.854 1.00 0.00 N ATOM 0 H GLN A 41 47.330 -9.832 -20.402 1.00 0.00 H new ATOM 0 HA GLN A 41 46.813 -11.373 -22.682 1.00 0.00 H new ATOM 0 HB2 GLN A 41 45.356 -9.570 -21.667 1.00 0.00 H new ATOM 0 HB3 GLN A 41 46.480 -8.361 -22.257 1.00 0.00 H new ATOM 0 HG2 GLN A 41 44.769 -8.480 -23.936 1.00 0.00 H new ATOM 0 HG3 GLN A 41 46.126 -9.357 -24.616 1.00 0.00 H new ATOM 0 HE21 GLN A 41 45.605 -11.376 -25.468 1.00 0.00 H new ATOM 0 HE22 GLN A 41 44.225 -12.349 -24.949 1.00 0.00 H new ATOM 637 N LYS A 42 48.216 -10.621 -24.623 1.00 0.00 N ATOM 638 CA LYS A 42 49.078 -10.213 -25.729 1.00 0.00 C ATOM 639 C LYS A 42 48.845 -8.733 -26.048 1.00 0.00 C ATOM 640 O LYS A 42 47.711 -8.267 -25.921 1.00 0.00 O ATOM 641 CB LYS A 42 48.781 -11.060 -26.968 1.00 0.00 C ATOM 642 CG LYS A 42 49.386 -12.453 -26.791 1.00 0.00 C ATOM 643 CD LYS A 42 49.518 -13.130 -28.157 1.00 0.00 C ATOM 644 CE LYS A 42 50.499 -14.299 -28.054 1.00 0.00 C ATOM 645 NZ LYS A 42 50.398 -15.145 -29.277 1.00 0.00 N ATOM 0 H LYS A 42 47.585 -11.393 -24.838 1.00 0.00 H new ATOM 0 HA LYS A 42 50.118 -10.361 -25.439 1.00 0.00 H new ATOM 0 HB2 LYS A 42 47.704 -11.136 -27.120 1.00 0.00 H new ATOM 0 HB3 LYS A 42 49.195 -10.582 -27.856 1.00 0.00 H new ATOM 0 HG2 LYS A 42 50.363 -12.379 -26.314 1.00 0.00 H new ATOM 0 HG3 LYS A 42 48.756 -13.054 -26.135 1.00 0.00 H new ATOM 0 HD2 LYS A 42 48.545 -13.487 -28.494 1.00 0.00 H new ATOM 0 HD3 LYS A 42 49.868 -12.412 -28.898 1.00 0.00 H new ATOM 0 HE2 LYS A 42 51.516 -13.924 -27.942 1.00 0.00 H new ATOM 0 HE3 LYS A 42 50.279 -14.895 -27.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 51.065 -15.939 -29.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 49.429 -15.513 -29.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 50.629 -14.573 -30.115 1.00 0.00 H new ATOM 659 N PRO A 43 49.851 -7.986 -26.452 1.00 0.00 N ATOM 660 CA PRO A 43 49.650 -6.546 -26.808 1.00 0.00 C ATOM 661 C PRO A 43 48.580 -6.383 -27.884 1.00 0.00 C ATOM 662 O PRO A 43 48.468 -7.210 -28.789 1.00 0.00 O ATOM 663 CB PRO A 43 51.017 -6.081 -27.319 1.00 0.00 C ATOM 664 CG PRO A 43 51.999 -7.042 -26.742 1.00 0.00 C ATOM 665 CD PRO A 43 51.264 -8.375 -26.623 1.00 0.00 C ATOM 0 HA PRO A 43 49.304 -5.960 -25.957 1.00 0.00 H new ATOM 0 HB2 PRO A 43 51.053 -6.088 -28.408 1.00 0.00 H new ATOM 0 HB3 PRO A 43 51.230 -5.061 -27.000 1.00 0.00 H new ATOM 0 HG2 PRO A 43 52.876 -7.136 -27.383 1.00 0.00 H new ATOM 0 HG3 PRO A 43 52.351 -6.702 -25.768 1.00 0.00 H new ATOM 0 HD2 PRO A 43 51.405 -8.990 -27.512 1.00 0.00 H new ATOM 0 HD3 PRO A 43 51.624 -8.956 -25.774 1.00 0.00 H new ATOM 673 N GLY A 44 47.797 -5.314 -27.784 1.00 0.00 N ATOM 674 CA GLY A 44 46.722 -5.076 -28.745 1.00 0.00 C ATOM 675 C GLY A 44 47.236 -5.010 -30.184 1.00 0.00 C ATOM 676 O GLY A 44 46.513 -5.352 -31.121 1.00 0.00 O ATOM 0 H GLY A 44 47.883 -4.605 -27.056 1.00 0.00 H new ATOM 0 HA2 GLY A 44 45.981 -5.871 -28.662 1.00 0.00 H new ATOM 0 HA3 GLY A 44 46.217 -4.142 -28.498 1.00 0.00 H new ATOM 680 N THR A 45 48.480 -4.575 -30.363 1.00 0.00 N ATOM 681 CA THR A 45 49.063 -4.473 -31.696 1.00 0.00 C ATOM 682 C THR A 45 49.032 -5.821 -32.411 1.00 0.00 C ATOM 683 O THR A 45 49.171 -6.872 -31.785 1.00 0.00 O ATOM 684 CB THR A 45 50.509 -3.969 -31.613 1.00 0.00 C ATOM 685 OG1 THR A 45 51.083 -3.982 -32.911 1.00 0.00 O ATOM 686 CG2 THR A 45 51.335 -4.864 -30.684 1.00 0.00 C ATOM 0 H THR A 45 49.101 -4.289 -29.606 1.00 0.00 H new ATOM 0 HA THR A 45 48.467 -3.761 -32.266 1.00 0.00 H new ATOM 0 HB THR A 45 50.508 -2.954 -31.215 1.00 0.00 H new ATOM 0 HG1 THR A 45 52.007 -3.659 -32.863 1.00 0.00 H new ATOM 0 HG21 THR A 45 52.359 -4.492 -30.636 1.00 0.00 H new ATOM 0 HG22 THR A 45 50.898 -4.853 -29.685 1.00 0.00 H new ATOM 0 HG23 THR A 45 51.337 -5.884 -31.068 1.00 0.00 H new ATOM 694 N HIS A 46 48.841 -5.781 -33.725 1.00 0.00 N ATOM 695 CA HIS A 46 48.844 -6.998 -34.527 1.00 0.00 C ATOM 696 C HIS A 46 50.264 -7.541 -34.663 1.00 0.00 C ATOM 697 O HIS A 46 51.168 -6.741 -34.839 1.00 0.00 O ATOM 698 CB HIS A 46 48.266 -6.707 -35.915 1.00 0.00 C ATOM 699 CG HIS A 46 48.252 -7.905 -36.826 1.00 0.00 C ATOM 700 ND1 HIS A 46 47.486 -9.028 -36.559 1.00 0.00 N ATOM 701 CD2 HIS A 46 48.908 -8.168 -38.003 1.00 0.00 C ATOM 702 CE1 HIS A 46 47.699 -9.909 -37.553 1.00 0.00 C ATOM 703 NE2 HIS A 46 48.557 -9.437 -38.460 1.00 0.00 N ATOM 704 OXT HIS A 46 50.426 -8.747 -34.586 1.00 0.00 O ATOM 0 H HIS A 46 48.683 -4.924 -34.255 1.00 0.00 H new ATOM 0 HA HIS A 46 48.228 -7.747 -34.029 1.00 0.00 H new ATOM 0 HB2 HIS A 46 47.248 -6.334 -35.804 1.00 0.00 H new ATOM 0 HB3 HIS A 46 48.848 -5.913 -36.382 1.00 0.00 H new ATOM 0 HD2 HIS A 46 49.591 -7.495 -38.499 1.00 0.00 H new ATOM 0 HE1 HIS A 46 47.232 -10.881 -37.610 1.00 0.00 H new ATOM 0 HE2 HIS A 46 48.885 -9.904 -39.305 1.00 0.00 H new TER 712 HIS A 46