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+ 134:sc= -0.0538 (180deg=-0.473) 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 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 53:sc= -0.529 USER MOD Single : A 31 SER OG : rot -51:sc= 1.08 USER MOD Single : A 39 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -9:sc= 0.944 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.775 20.872 20.161 1.00 0.00 N ATOM 2 CA ARG A 1 10.044 19.707 19.271 1.00 0.00 C ATOM 3 C ARG A 1 11.111 18.812 19.898 1.00 0.00 C ATOM 4 O ARG A 1 12.044 19.296 20.539 1.00 0.00 O ATOM 5 CB ARG A 1 10.483 20.216 17.892 1.00 0.00 C ATOM 6 CG ARG A 1 11.811 20.975 17.993 1.00 0.00 C ATOM 7 CD ARG A 1 12.124 21.637 16.650 1.00 0.00 C ATOM 8 NE ARG A 1 13.449 22.262 16.690 1.00 0.00 N ATOM 9 CZ ARG A 1 13.811 23.280 15.895 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.995 23.803 15.011 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.017 23.767 16.005 1.00 0.00 N ATOM 0 H1 ARG A 1 9.754 21.744 19.595 1.00 0.00 H new ATOM 0 H2 ARG A 1 8.857 20.743 20.633 1.00 0.00 H new ATOM 0 H3 ARG A 1 10.526 20.943 20.877 1.00 0.00 H new ATOM 0 HA ARG A 1 9.138 19.113 19.149 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.590 19.376 17.206 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.715 20.870 17.479 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.752 21.730 18.777 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.613 20.291 18.269 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.088 20.894 15.853 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.367 22.387 16.421 1.00 0.00 H new ATOM 0 HE ARG A 1 14.132 21.904 17.358 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.049 23.436 14.911 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.307 24.577 14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.666 23.373 16.687 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.311 24.541 15.409 1.00 0.00 H new ATOM 25 N SER A 2 10.964 17.504 19.713 1.00 0.00 N ATOM 26 CA SER A 2 11.921 16.550 20.268 1.00 0.00 C ATOM 27 C SER A 2 13.349 16.813 19.783 1.00 0.00 C ATOM 28 O SER A 2 14.308 16.468 20.471 1.00 0.00 O ATOM 29 CB SER A 2 11.510 15.129 19.882 1.00 0.00 C ATOM 30 OG SER A 2 11.662 14.965 18.479 1.00 0.00 O ATOM 0 H SER A 2 10.198 17.082 19.188 1.00 0.00 H new ATOM 0 HA SER A 2 11.911 16.669 21.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.124 14.403 20.414 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.476 14.945 20.172 1.00 0.00 H new ATOM 0 HG SER A 2 11.401 14.055 18.226 1.00 0.00 H new ATOM 36 N LEU A 3 13.496 17.426 18.610 1.00 0.00 N ATOM 37 CA LEU A 3 14.821 17.689 18.045 1.00 0.00 C ATOM 38 C LEU A 3 15.708 18.518 18.979 1.00 0.00 C ATOM 39 O LEU A 3 16.934 18.453 18.891 1.00 0.00 O ATOM 40 CB LEU A 3 14.680 18.422 16.709 1.00 0.00 C ATOM 41 CG LEU A 3 14.206 17.445 15.630 1.00 0.00 C ATOM 42 CD1 LEU A 3 12.683 17.313 15.685 1.00 0.00 C ATOM 43 CD2 LEU A 3 14.621 17.967 14.253 1.00 0.00 C ATOM 0 H LEU A 3 12.719 17.749 18.034 1.00 0.00 H new ATOM 0 HA LEU A 3 15.302 16.721 17.904 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.969 19.243 16.807 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.636 18.860 16.421 1.00 0.00 H new ATOM 0 HG LEU A 3 14.659 16.469 15.804 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.350 16.617 14.915 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.385 16.940 16.665 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.227 18.288 15.514 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.284 17.272 13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.169 18.944 14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.706 18.057 14.210 1.00 0.00 H new ATOM 55 N LEU A 4 15.097 19.293 19.873 1.00 0.00 N ATOM 56 CA LEU A 4 15.847 20.213 20.724 1.00 0.00 C ATOM 57 C LEU A 4 16.918 19.502 21.554 1.00 0.00 C ATOM 58 O LEU A 4 17.901 20.124 21.957 1.00 0.00 O ATOM 59 CB LEU A 4 14.887 20.949 21.660 1.00 0.00 C ATOM 60 CG LEU A 4 13.875 21.753 20.840 1.00 0.00 C ATOM 61 CD1 LEU A 4 12.810 22.335 21.771 1.00 0.00 C ATOM 62 CD2 LEU A 4 14.592 22.898 20.121 1.00 0.00 C ATOM 0 H LEU A 4 14.089 19.302 20.026 1.00 0.00 H new ATOM 0 HA LEU A 4 16.355 20.919 20.066 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.366 20.234 22.297 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.446 21.614 22.318 1.00 0.00 H new ATOM 0 HG LEU A 4 13.404 21.098 20.107 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.090 22.907 21.187 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.296 21.524 22.288 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.284 22.988 22.503 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.870 23.470 19.537 1.00 0.00 H new ATOM 0 HD22 LEU A 4 15.063 23.551 20.856 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.354 22.490 19.457 1.00 0.00 H new ATOM 74 N GLU A 5 16.734 18.208 21.812 1.00 0.00 N ATOM 75 CA GLU A 5 17.652 17.481 22.688 1.00 0.00 C ATOM 76 C GLU A 5 19.033 17.271 22.052 1.00 0.00 C ATOM 77 O GLU A 5 20.012 17.052 22.767 1.00 0.00 O ATOM 78 CB GLU A 5 17.025 16.144 23.105 1.00 0.00 C ATOM 79 CG GLU A 5 16.897 15.209 21.896 1.00 0.00 C ATOM 80 CD GLU A 5 16.122 13.932 22.241 1.00 0.00 C ATOM 81 OE1 GLU A 5 15.807 13.718 23.404 1.00 0.00 O ATOM 82 OE2 GLU A 5 15.852 13.176 21.324 1.00 0.00 O ATOM 0 H GLU A 5 15.970 17.648 21.434 1.00 0.00 H new ATOM 0 HA GLU A 5 17.815 18.092 23.575 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.638 15.672 23.873 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.042 16.318 23.543 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.392 15.732 21.084 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.891 14.944 21.535 1.00 0.00 H new ATOM 89 N GLY A 6 19.126 17.336 20.723 1.00 0.00 N ATOM 90 CA GLY A 6 20.434 17.369 20.061 1.00 0.00 C ATOM 91 C GLY A 6 20.903 16.012 19.521 1.00 0.00 C ATOM 92 O GLY A 6 21.958 15.940 18.897 1.00 0.00 O ATOM 0 H GLY A 6 18.326 17.366 20.091 1.00 0.00 H new ATOM 0 HA2 GLY A 6 20.393 18.080 19.236 1.00 0.00 H new ATOM 0 HA3 GLY A 6 21.176 17.742 20.767 1.00 0.00 H new ATOM 96 N GLU A 7 20.156 14.945 19.791 1.00 0.00 N ATOM 97 CA GLU A 7 20.517 13.595 19.353 1.00 0.00 C ATOM 98 C GLU A 7 20.656 13.457 17.834 1.00 0.00 C ATOM 99 O GLU A 7 21.303 12.526 17.355 1.00 0.00 O ATOM 100 CB GLU A 7 19.482 12.588 19.860 1.00 0.00 C ATOM 101 CG GLU A 7 19.567 12.491 21.388 1.00 0.00 C ATOM 102 CD GLU A 7 18.597 11.444 21.946 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.754 10.956 21.208 1.00 0.00 O ATOM 104 OE2 GLU A 7 18.714 11.141 23.122 1.00 0.00 O ATOM 0 H GLU A 7 19.284 14.989 20.319 1.00 0.00 H new ATOM 0 HA GLU A 7 21.499 13.390 19.780 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.481 12.897 19.560 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.661 11.610 19.413 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.586 12.235 21.680 1.00 0.00 H new ATOM 0 HG3 GLU A 7 19.344 13.464 21.827 1.00 0.00 H new ATOM 111 N ILE A 8 20.056 14.370 17.075 1.00 0.00 N ATOM 112 CA ILE A 8 19.845 14.146 15.640 1.00 0.00 C ATOM 113 C ILE A 8 21.115 13.805 14.827 1.00 0.00 C ATOM 114 O ILE A 8 20.959 13.124 13.809 1.00 0.00 O ATOM 115 CB ILE A 8 19.150 15.369 14.999 1.00 0.00 C ATOM 116 CG1 ILE A 8 17.903 15.794 15.816 1.00 0.00 C ATOM 117 CG2 ILE A 8 18.726 15.015 13.564 1.00 0.00 C ATOM 118 CD1 ILE A 8 18.224 16.981 16.733 1.00 0.00 C ATOM 0 H ILE A 8 19.709 15.265 17.421 1.00 0.00 H new ATOM 0 HA ILE A 8 19.213 13.259 15.594 1.00 0.00 H new ATOM 0 HB ILE A 8 19.853 16.202 14.990 1.00 0.00 H new ATOM 0 HG12 ILE A 8 17.094 16.063 15.137 1.00 0.00 H new ATOM 0 HG13 ILE A 8 17.552 14.953 16.414 1.00 0.00 H new ATOM 0 HG21 ILE A 8 18.235 15.874 13.107 1.00 0.00 H new ATOM 0 HG22 ILE A 8 19.607 14.747 12.980 1.00 0.00 H new ATOM 0 HG23 ILE A 8 18.035 14.172 13.586 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.332 17.259 17.294 1.00 0.00 H new ATOM 0 HD12 ILE A 8 19.017 16.701 17.427 1.00 0.00 H new ATOM 0 HD13 ILE A 8 18.552 17.828 16.130 1.00 0.00 H new ATOM 130 N PRO A 9 22.329 14.215 15.171 1.00 0.00 N ATOM 131 CA PRO A 9 23.545 13.744 14.427 1.00 0.00 C ATOM 132 C PRO A 9 23.665 12.223 14.450 1.00 0.00 C ATOM 133 O PRO A 9 23.296 11.582 15.434 1.00 0.00 O ATOM 134 CB PRO A 9 24.725 14.408 15.142 1.00 0.00 C ATOM 135 CG PRO A 9 24.134 15.601 15.806 1.00 0.00 C ATOM 136 CD PRO A 9 22.732 15.169 16.221 1.00 0.00 C ATOM 0 HA PRO A 9 23.503 14.013 13.372 1.00 0.00 H new ATOM 0 HB2 PRO A 9 25.179 13.734 15.868 1.00 0.00 H new ATOM 0 HB3 PRO A 9 25.507 14.692 14.438 1.00 0.00 H new ATOM 0 HG2 PRO A 9 24.725 15.905 16.670 1.00 0.00 H new ATOM 0 HG3 PRO A 9 24.100 16.453 15.128 1.00 0.00 H new ATOM 0 HD2 PRO A 9 22.733 14.702 17.206 1.00 0.00 H new ATOM 0 HD3 PRO A 9 22.051 16.018 16.272 1.00 0.00 H new ATOM 144 N PHE A 10 24.178 11.647 13.367 1.00 0.00 N ATOM 145 CA PHE A 10 24.313 10.195 13.281 1.00 0.00 C ATOM 146 C PHE A 10 25.143 9.662 14.458 1.00 0.00 C ATOM 147 O PHE A 10 26.070 10.345 14.899 1.00 0.00 O ATOM 148 CB PHE A 10 24.971 9.794 11.957 1.00 0.00 C ATOM 149 CG PHE A 10 26.212 10.588 11.617 1.00 0.00 C ATOM 150 CD1 PHE A 10 27.370 10.448 12.391 1.00 0.00 C ATOM 151 CD2 PHE A 10 26.203 11.464 10.523 1.00 0.00 C ATOM 152 CE1 PHE A 10 28.519 11.184 12.072 1.00 0.00 C ATOM 153 CE2 PHE A 10 27.351 12.199 10.204 1.00 0.00 C ATOM 154 CZ PHE A 10 28.509 12.058 10.979 1.00 0.00 C ATOM 0 H PHE A 10 24.504 12.156 12.545 1.00 0.00 H new ATOM 0 HA PHE A 10 23.316 9.757 13.325 1.00 0.00 H new ATOM 0 HB2 PHE A 10 25.230 8.736 11.999 1.00 0.00 H new ATOM 0 HB3 PHE A 10 24.245 9.913 11.153 1.00 0.00 H new ATOM 0 HD1 PHE A 10 27.378 9.773 13.234 1.00 0.00 H new ATOM 0 HD2 PHE A 10 25.310 11.572 9.926 1.00 0.00 H new ATOM 0 HE1 PHE A 10 29.412 11.077 12.670 1.00 0.00 H new ATOM 0 HE2 PHE A 10 27.344 12.874 9.361 1.00 0.00 H new ATOM 0 HZ PHE A 10 29.395 12.624 10.733 1.00 0.00 H new ATOM 164 N PRO A 11 24.848 8.487 14.979 1.00 0.00 N ATOM 165 CA PRO A 11 25.586 7.960 16.171 1.00 0.00 C ATOM 166 C PRO A 11 27.099 7.879 15.927 1.00 0.00 C ATOM 167 O PRO A 11 27.522 7.610 14.796 1.00 0.00 O ATOM 168 CB PRO A 11 25.005 6.560 16.406 1.00 0.00 C ATOM 169 CG PRO A 11 23.702 6.535 15.686 1.00 0.00 C ATOM 170 CD PRO A 11 23.826 7.521 14.528 1.00 0.00 C ATOM 0 HA PRO A 11 25.463 8.618 17.031 1.00 0.00 H new ATOM 0 HB2 PRO A 11 25.676 5.789 16.027 1.00 0.00 H new ATOM 0 HB3 PRO A 11 24.868 6.367 17.470 1.00 0.00 H new ATOM 0 HG2 PRO A 11 23.481 5.533 15.320 1.00 0.00 H new ATOM 0 HG3 PRO A 11 22.886 6.819 16.351 1.00 0.00 H new ATOM 0 HD2 PRO A 11 24.131 7.019 13.609 1.00 0.00 H new ATOM 0 HD3 PRO A 11 22.876 8.014 14.322 1.00 0.00 H new ATOM 178 N PRO A 12 27.929 8.105 16.929 1.00 0.00 N ATOM 179 CA PRO A 12 29.402 7.927 16.750 1.00 0.00 C ATOM 180 C PRO A 12 29.742 6.510 16.289 1.00 0.00 C ATOM 181 O PRO A 12 30.709 6.305 15.552 1.00 0.00 O ATOM 182 CB PRO A 12 29.998 8.212 18.133 1.00 0.00 C ATOM 183 CG PRO A 12 28.957 8.986 18.867 1.00 0.00 C ATOM 184 CD PRO A 12 27.612 8.532 18.304 1.00 0.00 C ATOM 0 HA PRO A 12 29.801 8.590 15.982 1.00 0.00 H new ATOM 0 HB2 PRO A 12 30.238 7.286 18.655 1.00 0.00 H new ATOM 0 HB3 PRO A 12 30.924 8.781 18.051 1.00 0.00 H new ATOM 0 HG2 PRO A 12 29.014 8.796 19.939 1.00 0.00 H new ATOM 0 HG3 PRO A 12 29.097 10.058 18.725 1.00 0.00 H new ATOM 0 HD2 PRO A 12 27.190 7.715 18.889 1.00 0.00 H new ATOM 0 HD3 PRO A 12 26.882 9.341 18.313 1.00 0.00 H new ATOM 192 N THR A 13 28.933 5.530 16.699 1.00 0.00 N ATOM 193 CA THR A 13 29.123 4.166 16.214 1.00 0.00 C ATOM 194 C THR A 13 29.009 4.109 14.691 1.00 0.00 C ATOM 195 O THR A 13 29.728 3.351 14.037 1.00 0.00 O ATOM 196 CB THR A 13 28.080 3.239 16.844 1.00 0.00 C ATOM 197 OG1 THR A 13 28.129 3.367 18.258 1.00 0.00 O ATOM 198 CG2 THR A 13 28.371 1.790 16.451 1.00 0.00 C ATOM 0 H THR A 13 28.158 5.653 17.351 1.00 0.00 H new ATOM 0 HA THR A 13 30.122 3.837 16.499 1.00 0.00 H new ATOM 0 HB THR A 13 27.088 3.515 16.486 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.461 2.776 18.663 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.626 1.134 16.902 1.00 0.00 H new ATOM 0 HG22 THR A 13 28.332 1.692 15.366 1.00 0.00 H new ATOM 0 HG23 THR A 13 29.363 1.509 16.805 1.00 0.00 H new ATOM 206 N SER A 14 28.127 4.931 14.118 1.00 0.00 N ATOM 207 CA SER A 14 28.040 5.018 12.666 1.00 0.00 C ATOM 208 C SER A 14 29.368 5.489 12.079 1.00 0.00 C ATOM 209 O SER A 14 29.815 4.983 11.047 1.00 0.00 O ATOM 210 CB SER A 14 26.931 5.991 12.263 1.00 0.00 C ATOM 211 OG SER A 14 26.742 5.924 10.857 1.00 0.00 O ATOM 0 H SER A 14 27.478 5.532 14.627 1.00 0.00 H new ATOM 0 HA SER A 14 27.811 4.026 12.276 1.00 0.00 H new ATOM 0 HB2 SER A 14 26.004 5.740 12.779 1.00 0.00 H new ATOM 0 HB3 SER A 14 27.196 7.006 12.559 1.00 0.00 H new ATOM 0 HG SER A 14 26.031 6.545 10.593 1.00 0.00 H new ATOM 217 N ILE A 15 30.018 6.438 12.756 1.00 0.00 N ATOM 218 CA ILE A 15 31.330 6.888 12.295 1.00 0.00 C ATOM 219 C ILE A 15 32.319 5.721 12.270 1.00 0.00 C ATOM 220 O ILE A 15 33.169 5.638 11.379 1.00 0.00 O ATOM 221 CB ILE A 15 31.863 8.007 13.200 1.00 0.00 C ATOM 222 CG1 ILE A 15 30.852 9.157 13.248 1.00 0.00 C ATOM 223 CG2 ILE A 15 33.188 8.538 12.643 1.00 0.00 C ATOM 224 CD1 ILE A 15 31.299 10.193 14.282 1.00 0.00 C ATOM 0 H ILE A 15 29.671 6.897 13.598 1.00 0.00 H new ATOM 0 HA ILE A 15 31.221 7.277 11.283 1.00 0.00 H new ATOM 0 HB ILE A 15 32.018 7.607 14.202 1.00 0.00 H new ATOM 0 HG12 ILE A 15 30.768 9.622 12.266 1.00 0.00 H new ATOM 0 HG13 ILE A 15 29.864 8.775 13.505 1.00 0.00 H new ATOM 0 HG21 ILE A 15 33.562 9.332 13.289 1.00 0.00 H new ATOM 0 HG22 ILE A 15 33.917 7.728 12.604 1.00 0.00 H new ATOM 0 HG23 ILE A 15 33.029 8.932 11.639 1.00 0.00 H new ATOM 0 HD11 ILE A 15 30.578 11.010 14.314 1.00 0.00 H new ATOM 0 HD12 ILE A 15 31.360 9.724 15.264 1.00 0.00 H new ATOM 0 HD13 ILE A 15 32.278 10.584 14.005 1.00 0.00 H new ATOM 236 N LEU A 16 32.193 4.797 13.227 1.00 0.00 N ATOM 237 CA LEU A 16 33.043 3.608 13.210 1.00 0.00 C ATOM 238 C LEU A 16 32.820 2.797 11.937 1.00 0.00 C ATOM 239 O LEU A 16 33.762 2.229 11.381 1.00 0.00 O ATOM 240 CB LEU A 16 32.773 2.730 14.437 1.00 0.00 C ATOM 241 CG LEU A 16 32.968 3.547 15.716 1.00 0.00 C ATOM 242 CD1 LEU A 16 32.593 2.692 16.928 1.00 0.00 C ATOM 243 CD2 LEU A 16 34.434 3.973 15.838 1.00 0.00 C ATOM 0 H LEU A 16 31.531 4.847 14.001 1.00 0.00 H new ATOM 0 HA LEU A 16 34.080 3.942 13.235 1.00 0.00 H new ATOM 0 HB2 LEU A 16 31.757 2.337 14.397 1.00 0.00 H new ATOM 0 HB3 LEU A 16 33.446 1.873 14.437 1.00 0.00 H new ATOM 0 HG LEU A 16 32.333 4.432 15.677 1.00 0.00 H new ATOM 0 HD11 LEU A 16 32.731 3.273 17.840 1.00 0.00 H new ATOM 0 HD12 LEU A 16 31.550 2.385 16.848 1.00 0.00 H new ATOM 0 HD13 LEU A 16 33.230 1.808 16.961 1.00 0.00 H new ATOM 0 HD21 LEU A 16 34.569 4.555 16.750 1.00 0.00 H new ATOM 0 HD22 LEU A 16 35.068 3.087 15.875 1.00 0.00 H new ATOM 0 HD23 LEU A 16 34.709 4.581 14.976 1.00 0.00 H new ATOM 255 N LEU A 17 31.577 2.770 11.447 1.00 0.00 N ATOM 256 CA LEU A 17 31.310 2.113 10.169 1.00 0.00 C ATOM 257 C LEU A 17 32.106 2.771 9.043 1.00 0.00 C ATOM 258 O LEU A 17 32.555 2.092 8.116 1.00 0.00 O ATOM 259 CB LEU A 17 29.816 2.148 9.834 1.00 0.00 C ATOM 260 CG LEU A 17 29.011 1.528 10.979 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.516 1.669 10.684 1.00 0.00 C ATOM 262 CD2 LEU A 17 29.359 0.043 11.107 1.00 0.00 C ATOM 0 H LEU A 17 30.763 3.183 11.902 1.00 0.00 H new ATOM 0 HA LEU A 17 31.623 1.073 10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.496 3.177 9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.629 1.602 8.909 1.00 0.00 H new ATOM 0 HG LEU A 17 29.254 2.041 11.909 1.00 0.00 H new ATOM 0 HD11 LEU A 17 26.941 1.228 11.498 1.00 0.00 H new ATOM 0 HD12 LEU A 17 27.262 2.725 10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.279 1.155 9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.785 -0.396 11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.117 -0.469 10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 17 30.424 -0.065 11.314 1.00 0.00 H new ATOM 274 N LEU A 18 32.304 4.090 9.131 1.00 0.00 N ATOM 275 CA LEU A 18 33.146 4.771 8.148 1.00 0.00 C ATOM 276 C LEU A 18 34.567 4.214 8.171 1.00 0.00 C ATOM 277 O LEU A 18 35.212 4.096 7.128 1.00 0.00 O ATOM 278 CB LEU A 18 33.182 6.277 8.419 1.00 0.00 C ATOM 279 CG LEU A 18 33.853 6.989 7.243 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.916 6.973 6.033 1.00 0.00 C ATOM 281 CD2 LEU A 18 34.157 8.438 7.631 1.00 0.00 C ATOM 0 H LEU A 18 31.905 4.692 9.852 1.00 0.00 H new ATOM 0 HA LEU A 18 32.714 4.596 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.170 6.657 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.728 6.479 9.340 1.00 0.00 H new ATOM 0 HG LEU A 18 34.781 6.476 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.395 7.480 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.698 5.942 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.988 7.485 6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.635 8.946 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.228 8.950 7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 18 34.824 8.452 8.493 1.00 0.00 H new ATOM 293 N LEU A 19 35.047 3.837 9.359 1.00 0.00 N ATOM 294 CA LEU A 19 36.335 3.143 9.442 1.00 0.00 C ATOM 295 C LEU A 19 36.296 1.834 8.650 1.00 0.00 C ATOM 296 O LEU A 19 37.287 1.437 8.033 1.00 0.00 O ATOM 297 CB LEU A 19 36.697 2.852 10.900 1.00 0.00 C ATOM 298 CG LEU A 19 38.150 2.379 10.979 1.00 0.00 C ATOM 299 CD1 LEU A 19 39.088 3.560 10.722 1.00 0.00 C ATOM 300 CD2 LEU A 19 38.423 1.807 12.373 1.00 0.00 C ATOM 0 H LEU A 19 34.580 3.994 10.252 1.00 0.00 H new ATOM 0 HA LEU A 19 37.095 3.794 9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.561 3.748 11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.032 2.089 11.306 1.00 0.00 H new ATOM 0 HG LEU A 19 38.322 1.609 10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 19 40.123 3.222 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.894 3.970 9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.917 4.331 11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 19 39.458 1.469 12.431 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.250 2.579 13.123 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.756 0.965 12.558 1.00 0.00 H new ATOM 312 N ALA A 20 35.131 1.185 8.627 1.00 0.00 N ATOM 313 CA ALA A 20 34.955 -0.002 7.796 1.00 0.00 C ATOM 314 C ALA A 20 35.148 0.338 6.320 1.00 0.00 C ATOM 315 O ALA A 20 35.732 -0.440 5.563 1.00 0.00 O ATOM 316 CB ALA A 20 33.557 -0.584 8.008 1.00 0.00 C ATOM 0 H ALA A 20 34.309 1.457 9.166 1.00 0.00 H new ATOM 0 HA ALA A 20 35.705 -0.738 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.433 -1.469 7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 20 33.432 -0.857 9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.808 0.160 7.735 1.00 0.00 H new ATOM 322 N CYS A 21 34.678 1.518 5.916 1.00 0.00 N ATOM 323 CA CYS A 21 34.891 1.962 4.542 1.00 0.00 C ATOM 324 C CYS A 21 36.384 2.068 4.240 1.00 0.00 C ATOM 325 O CYS A 21 36.827 1.733 3.140 1.00 0.00 O ATOM 326 CB CYS A 21 34.222 3.318 4.302 1.00 0.00 C ATOM 327 SG CYS A 21 32.482 3.239 4.798 1.00 0.00 S ATOM 0 H CYS A 21 34.159 2.169 6.506 1.00 0.00 H new ATOM 0 HA CYS A 21 34.443 1.224 3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.737 4.093 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.298 3.590 3.249 1.00 0.00 H new ATOM 0 HG CYS A 21 32.398 2.798 6.018 1.00 0.00 H new ATOM 333 N ILE A 22 37.167 2.516 5.224 1.00 0.00 N ATOM 334 CA ILE A 22 38.613 2.587 5.034 1.00 0.00 C ATOM 335 C ILE A 22 39.183 1.204 4.724 1.00 0.00 C ATOM 336 O ILE A 22 40.098 1.069 3.907 1.00 0.00 O ATOM 337 CB ILE A 22 39.282 3.156 6.294 1.00 0.00 C ATOM 338 CG1 ILE A 22 38.668 4.517 6.667 1.00 0.00 C ATOM 339 CG2 ILE A 22 40.784 3.330 6.054 1.00 0.00 C ATOM 340 CD1 ILE A 22 38.773 5.530 5.516 1.00 0.00 C ATOM 0 H ILE A 22 36.834 2.827 6.136 1.00 0.00 H new ATOM 0 HA ILE A 22 38.818 3.246 4.190 1.00 0.00 H new ATOM 0 HB ILE A 22 39.119 2.456 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.620 4.381 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 22 39.174 4.914 7.547 1.00 0.00 H new ATOM 0 HG21 ILE A 22 41.252 3.734 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 22 41.229 2.364 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 22 40.942 4.017 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.327 6.476 5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 22 39.822 5.687 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 22 38.244 5.146 4.644 1.00 0.00 H new ATOM 352 N PHE A 23 38.618 0.164 5.345 1.00 0.00 N ATOM 353 CA PHE A 23 39.008 -1.198 4.983 1.00 0.00 C ATOM 354 C PHE A 23 38.721 -1.472 3.506 1.00 0.00 C ATOM 355 O PHE A 23 39.485 -2.171 2.837 1.00 0.00 O ATOM 356 CB PHE A 23 38.269 -2.219 5.849 1.00 0.00 C ATOM 357 CG PHE A 23 38.770 -3.633 5.668 1.00 0.00 C ATOM 358 CD1 PHE A 23 38.197 -4.459 4.694 1.00 0.00 C ATOM 359 CD2 PHE A 23 39.808 -4.118 6.474 1.00 0.00 C ATOM 360 CE1 PHE A 23 38.660 -5.769 4.526 1.00 0.00 C ATOM 361 CE2 PHE A 23 40.271 -5.428 6.306 1.00 0.00 C ATOM 362 CZ PHE A 23 39.698 -6.254 5.332 1.00 0.00 C ATOM 0 H PHE A 23 37.912 0.235 6.077 1.00 0.00 H new ATOM 0 HA PHE A 23 40.080 -1.295 5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 23 38.370 -1.937 6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 23 37.206 -2.185 5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 23 37.397 -4.085 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 23 40.251 -3.481 7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 23 38.217 -6.406 3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 23 41.071 -5.802 6.928 1.00 0.00 H new ATOM 0 HZ PHE A 23 40.056 -7.265 5.202 1.00 0.00 H new ATOM 372 N LEU A 24 37.631 -0.899 2.986 1.00 0.00 N ATOM 373 CA LEU A 24 37.345 -1.021 1.561 1.00 0.00 C ATOM 374 C LEU A 24 38.474 -0.424 0.722 1.00 0.00 C ATOM 375 O LEU A 24 38.816 -0.964 -0.330 1.00 0.00 O ATOM 376 CB LEU A 24 36.023 -0.319 1.231 1.00 0.00 C ATOM 377 CG LEU A 24 35.472 -0.831 -0.110 1.00 0.00 C ATOM 378 CD1 LEU A 24 33.942 -0.730 -0.108 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.036 0.011 -1.264 1.00 0.00 C ATOM 0 H LEU A 24 36.949 -0.359 3.519 1.00 0.00 H new ATOM 0 HA LEU A 24 37.263 -2.081 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 24 35.298 -0.501 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 24 36.177 0.759 1.182 1.00 0.00 H new ATOM 0 HG LEU A 24 35.771 -1.871 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 24 33.552 -1.093 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 24 33.539 -1.335 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 24 33.646 0.310 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.641 -0.358 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 24 35.744 1.053 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.123 -0.063 -1.271 1.00 0.00 H new ATOM 391 N ILE A 25 39.093 0.654 1.210 1.00 0.00 N ATOM 392 CA ILE A 25 40.256 1.210 0.514 1.00 0.00 C ATOM 393 C ILE A 25 41.379 0.173 0.417 1.00 0.00 C ATOM 394 O ILE A 25 42.104 0.127 -0.580 1.00 0.00 O ATOM 395 CB ILE A 25 40.769 2.470 1.225 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.633 3.490 1.351 1.00 0.00 C ATOM 397 CG2 ILE A 25 41.905 3.098 0.412 1.00 0.00 C ATOM 398 CD1 ILE A 25 40.094 4.666 2.214 1.00 0.00 C ATOM 0 H ILE A 25 38.819 1.148 2.060 1.00 0.00 H new ATOM 0 HA ILE A 25 39.941 1.481 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 25 41.132 2.193 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.337 3.844 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 25 38.756 3.020 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.266 3.992 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 25 42.721 2.382 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 25 41.538 3.367 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.285 5.391 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 25 40.368 4.305 3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.958 5.141 1.750 1.00 0.00 H new ATOM 410 N ALA A 26 41.498 -0.688 1.429 1.00 0.00 N ATOM 411 CA ALA A 26 42.460 -1.783 1.351 1.00 0.00 C ATOM 412 C ALA A 26 42.128 -2.694 0.175 1.00 0.00 C ATOM 413 O ALA A 26 43.013 -3.107 -0.581 1.00 0.00 O ATOM 414 CB ALA A 26 42.441 -2.591 2.650 1.00 0.00 C ATOM 0 H ALA A 26 40.954 -0.650 2.291 1.00 0.00 H new ATOM 0 HA ALA A 26 43.455 -1.363 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 26 43.162 -3.406 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 26 42.704 -1.942 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 26 41.444 -3.001 2.809 1.00 0.00 H new ATOM 420 N ILE A 27 40.838 -2.979 -0.003 1.00 0.00 N ATOM 421 CA ILE A 27 40.412 -3.776 -1.151 1.00 0.00 C ATOM 422 C ILE A 27 40.802 -3.090 -2.462 1.00 0.00 C ATOM 423 O ILE A 27 41.135 -3.761 -3.439 1.00 0.00 O ATOM 424 CB ILE A 27 38.895 -4.005 -1.106 1.00 0.00 C ATOM 425 CG1 ILE A 27 38.514 -4.675 0.217 1.00 0.00 C ATOM 426 CG2 ILE A 27 38.467 -4.915 -2.261 1.00 0.00 C ATOM 427 CD1 ILE A 27 36.991 -4.736 0.342 1.00 0.00 C ATOM 0 H ILE A 27 40.086 -2.678 0.617 1.00 0.00 H new ATOM 0 HA ILE A 27 40.917 -4.741 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 27 38.393 -3.042 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 27 38.933 -5.680 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 27 38.935 -4.117 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 27 37.389 -5.072 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 27 38.730 -4.447 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 27 38.977 -5.875 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 27 36.722 -5.213 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 27 36.583 -3.725 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 27 36.581 -5.313 -0.487 1.00 0.00 H new ATOM 439 N LEU A 28 40.780 -1.755 -2.480 1.00 0.00 N ATOM 440 CA LEU A 28 41.214 -1.024 -3.670 1.00 0.00 C ATOM 441 C LEU A 28 42.670 -1.335 -4.009 1.00 0.00 C ATOM 442 O LEU A 28 43.043 -1.401 -5.181 1.00 0.00 O ATOM 443 CB LEU A 28 41.045 0.483 -3.466 1.00 0.00 C ATOM 444 CG LEU A 28 41.290 1.207 -4.791 1.00 0.00 C ATOM 445 CD1 LEU A 28 40.102 0.973 -5.726 1.00 0.00 C ATOM 446 CD2 LEU A 28 41.445 2.706 -4.530 1.00 0.00 C ATOM 0 H LEU A 28 40.474 -1.170 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 28 40.587 -1.347 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 28 40.042 0.701 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 28 41.744 0.839 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 28 42.199 0.822 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.275 1.488 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 39.989 -0.095 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 28 39.194 1.359 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.620 3.223 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 28 40.536 3.091 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 28 42.290 2.874 -3.862 1.00 0.00 H new ATOM 458 N ALA A 29 43.489 -1.563 -2.981 1.00 0.00 N ATOM 459 CA ALA A 29 44.868 -1.981 -3.215 1.00 0.00 C ATOM 460 C ALA A 29 44.904 -3.315 -3.958 1.00 0.00 C ATOM 461 O ALA A 29 45.702 -3.510 -4.879 1.00 0.00 O ATOM 462 CB ALA A 29 45.605 -2.118 -1.881 1.00 0.00 C ATOM 0 H ALA A 29 43.228 -1.468 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 29 45.360 -1.224 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 29 46.633 -2.430 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 29 45.604 -1.158 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 29 45.104 -2.863 -1.263 1.00 0.00 H new ATOM 468 N ALA A 30 43.999 -4.217 -3.583 1.00 0.00 N ATOM 469 CA ALA A 30 43.913 -5.503 -4.264 1.00 0.00 C ATOM 470 C ALA A 30 43.572 -5.315 -5.739 1.00 0.00 C ATOM 471 O ALA A 30 44.129 -5.991 -6.607 1.00 0.00 O ATOM 472 CB ALA A 30 42.845 -6.375 -3.600 1.00 0.00 C ATOM 0 H ALA A 30 43.328 -4.084 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 30 44.884 -5.993 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.787 -7.334 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 30 43.108 -6.539 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.879 -5.874 -3.657 1.00 0.00 H new ATOM 478 N SER A 31 42.674 -4.373 -6.023 1.00 0.00 N ATOM 479 CA SER A 31 42.308 -4.098 -7.410 1.00 0.00 C ATOM 480 C SER A 31 43.515 -3.634 -8.222 1.00 0.00 C ATOM 481 O SER A 31 43.644 -3.971 -9.400 1.00 0.00 O ATOM 482 CB SER A 31 41.201 -3.041 -7.472 1.00 0.00 C ATOM 483 OG SER A 31 41.763 -1.748 -7.296 1.00 0.00 O ATOM 0 H SER A 31 42.196 -3.799 -5.328 1.00 0.00 H new ATOM 0 HA SER A 31 41.941 -5.027 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 31 40.685 -3.096 -8.431 1.00 0.00 H new ATOM 0 HB3 SER A 31 40.458 -3.233 -6.698 1.00 0.00 H new ATOM 0 HG SER A 31 42.333 -1.745 -6.499 1.00 0.00 H new ATOM 489 N ALA A 32 44.420 -2.887 -7.587 1.00 0.00 N ATOM 490 CA ALA A 32 45.628 -2.453 -8.280 1.00 0.00 C ATOM 491 C ALA A 32 46.445 -3.660 -8.727 1.00 0.00 C ATOM 492 O ALA A 32 46.971 -3.692 -9.844 1.00 0.00 O ATOM 493 CB ALA A 32 46.475 -1.575 -7.357 1.00 0.00 C ATOM 0 H ALA A 32 44.342 -2.578 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 32 45.336 -1.877 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 32 47.375 -1.256 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 32 45.899 -0.699 -7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 32 46.756 -2.144 -6.470 1.00 0.00 H new ATOM 499 N LEU A 33 46.530 -4.669 -7.859 1.00 0.00 N ATOM 500 CA LEU A 33 47.233 -5.894 -8.230 1.00 0.00 C ATOM 501 C LEU A 33 46.587 -6.540 -9.454 1.00 0.00 C ATOM 502 O LEU A 33 47.281 -7.068 -10.326 1.00 0.00 O ATOM 503 CB LEU A 33 47.210 -6.879 -7.060 1.00 0.00 C ATOM 504 CG LEU A 33 48.079 -8.094 -7.388 1.00 0.00 C ATOM 505 CD1 LEU A 33 49.556 -7.693 -7.341 1.00 0.00 C ATOM 506 CD2 LEU A 33 47.821 -9.197 -6.360 1.00 0.00 C ATOM 0 H LEU A 33 46.132 -4.664 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 33 48.264 -5.638 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 33 47.576 -6.392 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 33 46.187 -7.196 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 33 47.831 -8.458 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 33 50.176 -8.559 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 33 49.743 -6.905 -8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 33 49.803 -7.329 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 33 48.440 -10.063 -6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 33 48.069 -8.831 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 33 46.770 -9.484 -6.390 1.00 0.00 H new ATOM 518 N TRP A 34 45.257 -6.466 -9.540 1.00 0.00 N ATOM 519 CA TRP A 34 44.568 -6.932 -10.743 1.00 0.00 C ATOM 520 C TRP A 34 45.025 -6.164 -11.984 1.00 0.00 C ATOM 521 O TRP A 34 45.091 -6.721 -13.081 1.00 0.00 O ATOM 522 CB TRP A 34 43.053 -6.787 -10.581 1.00 0.00 C ATOM 523 CG TRP A 34 42.273 -7.494 -11.642 1.00 0.00 C ATOM 524 CD1 TRP A 34 41.696 -6.897 -12.710 1.00 0.00 C ATOM 525 CD2 TRP A 34 41.970 -8.916 -11.756 1.00 0.00 C ATOM 526 NE1 TRP A 34 41.061 -7.860 -13.473 1.00 0.00 N ATOM 527 CE2 TRP A 34 41.201 -9.120 -12.927 1.00 0.00 C ATOM 528 CE3 TRP A 34 42.285 -10.036 -10.967 1.00 0.00 C ATOM 529 CZ2 TRP A 34 40.759 -10.392 -13.299 1.00 0.00 C ATOM 530 CZ3 TRP A 34 41.844 -11.314 -11.338 1.00 0.00 C ATOM 531 CH2 TRP A 34 41.083 -11.493 -12.501 1.00 0.00 C ATOM 0 H TRP A 34 44.648 -6.097 -8.809 1.00 0.00 H new ATOM 0 HA TRP A 34 44.821 -7.984 -10.877 1.00 0.00 H new ATOM 0 HB2 TRP A 34 42.760 -7.175 -9.605 1.00 0.00 H new ATOM 0 HB3 TRP A 34 42.793 -5.728 -10.594 1.00 0.00 H new ATOM 0 HD1 TRP A 34 41.726 -5.840 -12.931 1.00 0.00 H new ATOM 0 HE1 TRP A 34 40.551 -7.663 -14.334 1.00 0.00 H new ATOM 0 HE3 TRP A 34 42.871 -9.911 -10.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 40.172 -10.524 -14.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 42.092 -12.166 -10.723 1.00 0.00 H new ATOM 0 HH2 TRP A 34 40.747 -12.481 -12.781 1.00 0.00 H new ATOM 542 N ALA A 35 45.384 -4.893 -11.801 1.00 0.00 N ATOM 543 CA ALA A 35 45.875 -4.090 -12.914 1.00 0.00 C ATOM 544 C ALA A 35 47.152 -4.686 -13.492 1.00 0.00 C ATOM 545 O ALA A 35 47.344 -4.709 -14.707 1.00 0.00 O ATOM 546 CB ALA A 35 46.147 -2.660 -12.444 1.00 0.00 C ATOM 0 H ALA A 35 45.344 -4.406 -10.906 1.00 0.00 H new ATOM 0 HA ALA A 35 45.111 -4.082 -13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 35 46.514 -2.066 -13.281 1.00 0.00 H new ATOM 0 HB2 ALA A 35 45.225 -2.221 -12.063 1.00 0.00 H new ATOM 0 HB3 ALA A 35 46.896 -2.673 -11.653 1.00 0.00 H new ATOM 552 N ALA A 36 48.021 -5.171 -12.609 1.00 0.00 N ATOM 553 CA ALA A 36 49.238 -5.840 -13.055 1.00 0.00 C ATOM 554 C ALA A 36 48.918 -7.101 -13.855 1.00 0.00 C ATOM 555 O ALA A 36 49.579 -7.399 -14.848 1.00 0.00 O ATOM 556 CB ALA A 36 50.099 -6.207 -11.846 1.00 0.00 C ATOM 0 H ALA A 36 47.908 -5.115 -11.597 1.00 0.00 H new ATOM 0 HA ALA A 36 49.782 -5.153 -13.703 1.00 0.00 H new ATOM 0 HB1 ALA A 36 51.007 -6.706 -12.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 50.365 -5.302 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 36 49.540 -6.875 -11.191 1.00 0.00 H new ATOM 562 N ALA A 37 47.899 -7.837 -13.416 1.00 0.00 N ATOM 563 CA ALA A 37 47.490 -9.052 -14.118 1.00 0.00 C ATOM 564 C ALA A 37 47.035 -8.768 -15.548 1.00 0.00 C ATOM 565 O ALA A 37 47.245 -9.581 -16.448 1.00 0.00 O ATOM 566 CB ALA A 37 46.354 -9.731 -13.352 1.00 0.00 C ATOM 0 H ALA A 37 47.347 -7.617 -12.587 1.00 0.00 H new ATOM 0 HA ALA A 37 48.360 -9.707 -14.169 1.00 0.00 H new ATOM 0 HB1 ALA A 37 46.051 -10.637 -13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 37 46.695 -9.990 -12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 37 45.505 -9.051 -13.282 1.00 0.00 H new ATOM 572 N TRP A 38 46.413 -7.612 -15.753 1.00 0.00 N ATOM 573 CA TRP A 38 45.913 -7.241 -17.076 1.00 0.00 C ATOM 574 C TRP A 38 47.011 -7.227 -18.141 1.00 0.00 C ATOM 575 O TRP A 38 46.716 -7.397 -19.326 1.00 0.00 O ATOM 576 CB TRP A 38 45.226 -5.872 -17.010 1.00 0.00 C ATOM 577 CG TRP A 38 43.791 -5.954 -16.594 1.00 0.00 C ATOM 578 CD1 TRP A 38 43.229 -5.245 -15.589 1.00 0.00 C ATOM 579 CD2 TRP A 38 42.728 -6.781 -17.154 1.00 0.00 C ATOM 580 NE1 TRP A 38 41.891 -5.580 -15.496 1.00 0.00 N ATOM 581 CE2 TRP A 38 41.533 -6.523 -16.438 1.00 0.00 C ATOM 582 CE3 TRP A 38 42.684 -7.717 -18.201 1.00 0.00 C ATOM 583 CZ2 TRP A 38 40.338 -7.174 -16.753 1.00 0.00 C ATOM 584 CZ3 TRP A 38 41.486 -8.373 -18.519 1.00 0.00 C ATOM 585 CH2 TRP A 38 40.315 -8.103 -17.798 1.00 0.00 C ATOM 0 H TRP A 38 46.243 -6.918 -15.026 1.00 0.00 H new ATOM 0 HA TRP A 38 45.193 -8.004 -17.372 1.00 0.00 H new ATOM 0 HB2 TRP A 38 45.765 -5.235 -16.309 1.00 0.00 H new ATOM 0 HB3 TRP A 38 45.288 -5.394 -17.988 1.00 0.00 H new ATOM 0 HD1 TRP A 38 43.742 -4.532 -14.961 1.00 0.00 H new ATOM 0 HE1 TRP A 38 41.247 -5.179 -14.814 1.00 0.00 H new ATOM 0 HE3 TRP A 38 43.579 -7.933 -18.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 39.439 -6.962 -16.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 41.466 -9.091 -19.325 1.00 0.00 H new ATOM 0 HH2 TRP A 38 39.396 -8.612 -18.049 1.00 0.00 H new ATOM 596 N HIS A 39 48.265 -7.032 -17.736 1.00 0.00 N ATOM 597 CA HIS A 39 49.342 -6.864 -18.708 1.00 0.00 C ATOM 598 C HIS A 39 49.418 -8.056 -19.656 1.00 0.00 C ATOM 599 O HIS A 39 49.231 -9.203 -19.251 1.00 0.00 O ATOM 600 CB HIS A 39 50.679 -6.707 -17.981 1.00 0.00 C ATOM 601 CG HIS A 39 50.768 -5.453 -17.157 1.00 0.00 C ATOM 602 ND1 HIS A 39 51.709 -5.293 -16.152 1.00 0.00 N ATOM 603 CD2 HIS A 39 50.039 -4.288 -17.175 1.00 0.00 C ATOM 604 CE1 HIS A 39 51.524 -4.076 -15.611 1.00 0.00 C ATOM 605 NE2 HIS A 39 50.518 -3.421 -16.197 1.00 0.00 N ATOM 0 H HIS A 39 48.556 -6.987 -16.760 1.00 0.00 H new ATOM 0 HA HIS A 39 49.132 -5.969 -19.293 1.00 0.00 H new ATOM 0 HB2 HIS A 39 50.835 -7.570 -17.334 1.00 0.00 H new ATOM 0 HB3 HIS A 39 51.485 -6.709 -18.715 1.00 0.00 H new ATOM 0 HD2 HIS A 39 49.219 -4.077 -17.846 1.00 0.00 H new ATOM 0 HE1 HIS A 39 52.117 -3.677 -14.801 1.00 0.00 H new ATOM 0 HE2 HIS A 39 50.175 -2.486 -15.975 1.00 0.00 H new ATOM 613 N GLY A 40 49.690 -7.767 -20.925 1.00 0.00 N ATOM 614 CA GLY A 40 49.898 -8.812 -21.923 1.00 0.00 C ATOM 615 C GLY A 40 51.149 -9.629 -21.617 1.00 0.00 C ATOM 616 O GLY A 40 52.106 -9.110 -21.048 1.00 0.00 O ATOM 0 H GLY A 40 49.772 -6.817 -21.287 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.029 -9.470 -21.951 1.00 0.00 H new ATOM 0 HA3 GLY A 40 49.988 -8.361 -22.911 1.00 0.00 H new ATOM 620 N GLN A 41 51.106 -10.922 -21.922 1.00 0.00 N ATOM 621 CA GLN A 41 52.320 -11.739 -21.947 1.00 0.00 C ATOM 622 C GLN A 41 53.361 -11.211 -22.947 1.00 0.00 C ATOM 623 O GLN A 41 54.557 -11.462 -22.794 1.00 0.00 O ATOM 624 CB GLN A 41 51.966 -13.183 -22.305 1.00 0.00 C ATOM 625 CG GLN A 41 51.104 -13.791 -21.196 1.00 0.00 C ATOM 626 CD GLN A 41 50.667 -15.204 -21.573 1.00 0.00 C ATOM 627 OE1 GLN A 41 50.689 -15.578 -22.747 1.00 0.00 O ATOM 628 NE2 GLN A 41 50.270 -16.024 -20.637 1.00 0.00 N ATOM 0 H GLN A 41 50.251 -11.427 -22.154 1.00 0.00 H new ATOM 0 HA GLN A 41 52.760 -11.690 -20.951 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.430 -13.212 -23.253 1.00 0.00 H new ATOM 0 HB3 GLN A 41 52.876 -13.769 -22.435 1.00 0.00 H new ATOM 0 HG2 GLN A 41 51.666 -13.815 -20.262 1.00 0.00 H new ATOM 0 HG3 GLN A 41 50.227 -13.166 -21.025 1.00 0.00 H new ATOM 0 HE21 GLN A 41 50.251 -15.717 -19.664 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.979 -16.971 -20.879 1.00 0.00 H new ATOM 637 N LYS A 42 52.904 -10.481 -23.965 1.00 0.00 N ATOM 638 CA LYS A 42 53.740 -10.103 -25.106 1.00 0.00 C ATOM 639 C LYS A 42 55.043 -9.327 -24.816 1.00 0.00 C ATOM 640 O LYS A 42 55.958 -9.452 -25.635 1.00 0.00 O ATOM 641 CB LYS A 42 52.894 -9.276 -26.076 1.00 0.00 C ATOM 642 CG LYS A 42 51.849 -10.178 -26.736 1.00 0.00 C ATOM 643 CD LYS A 42 50.708 -9.322 -27.293 1.00 0.00 C ATOM 644 CE LYS A 42 51.076 -8.822 -28.692 1.00 0.00 C ATOM 645 NZ LYS A 42 49.832 -8.535 -29.460 1.00 0.00 N ATOM 0 H LYS A 42 51.946 -10.135 -24.022 1.00 0.00 H new ATOM 0 HA LYS A 42 54.080 -11.056 -25.511 1.00 0.00 H new ATOM 0 HB2 LYS A 42 52.403 -8.461 -25.544 1.00 0.00 H new ATOM 0 HB3 LYS A 42 53.531 -8.823 -26.836 1.00 0.00 H new ATOM 0 HG2 LYS A 42 52.308 -10.756 -27.538 1.00 0.00 H new ATOM 0 HG3 LYS A 42 51.460 -10.892 -26.010 1.00 0.00 H new ATOM 0 HD2 LYS A 42 49.789 -9.906 -27.335 1.00 0.00 H new ATOM 0 HD3 LYS A 42 50.518 -8.476 -26.632 1.00 0.00 H new ATOM 0 HE2 LYS A 42 51.687 -7.922 -28.619 1.00 0.00 H new ATOM 0 HE3 LYS A 42 51.673 -9.571 -29.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 50.082 -8.195 -30.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 49.265 -9.403 -29.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 49.279 -7.806 -28.966 1.00 0.00 H new ATOM 659 N PRO A 43 55.205 -8.556 -23.747 1.00 0.00 N ATOM 660 CA PRO A 43 56.475 -7.779 -23.542 1.00 0.00 C ATOM 661 C PRO A 43 57.716 -8.666 -23.573 1.00 0.00 C ATOM 662 O PRO A 43 57.686 -9.819 -23.147 1.00 0.00 O ATOM 663 CB PRO A 43 56.308 -7.115 -22.174 1.00 0.00 C ATOM 664 CG PRO A 43 54.836 -7.007 -21.993 1.00 0.00 C ATOM 665 CD PRO A 43 54.258 -8.251 -22.657 1.00 0.00 C ATOM 0 HA PRO A 43 56.628 -7.057 -24.344 1.00 0.00 H new ATOM 0 HB2 PRO A 43 56.763 -7.713 -21.384 1.00 0.00 H new ATOM 0 HB3 PRO A 43 56.785 -6.135 -22.147 1.00 0.00 H new ATOM 0 HG2 PRO A 43 54.571 -6.966 -20.936 1.00 0.00 H new ATOM 0 HG3 PRO A 43 54.448 -6.099 -22.454 1.00 0.00 H new ATOM 0 HD2 PRO A 43 54.182 -9.079 -21.952 1.00 0.00 H new ATOM 0 HD3 PRO A 43 53.255 -8.067 -23.041 1.00 0.00 H new ATOM 673 N GLY A 44 58.808 -8.106 -24.086 1.00 0.00 N ATOM 674 CA GLY A 44 60.054 -8.849 -24.233 1.00 0.00 C ATOM 675 C GLY A 44 59.870 -10.055 -25.148 1.00 0.00 C ATOM 676 O GLY A 44 60.299 -11.163 -24.827 1.00 0.00 O ATOM 0 H GLY A 44 58.854 -7.139 -24.407 1.00 0.00 H new ATOM 0 HA2 GLY A 44 60.825 -8.195 -24.639 1.00 0.00 H new ATOM 0 HA3 GLY A 44 60.401 -9.181 -23.254 1.00 0.00 H new ATOM 680 N THR A 45 59.230 -9.828 -26.290 1.00 0.00 N ATOM 681 CA THR A 45 59.049 -10.883 -27.281 1.00 0.00 C ATOM 682 C THR A 45 60.400 -11.444 -27.713 1.00 0.00 C ATOM 683 O THR A 45 61.383 -10.709 -27.807 1.00 0.00 O ATOM 684 CB THR A 45 58.308 -10.331 -28.501 1.00 0.00 C ATOM 685 OG1 THR A 45 57.109 -9.699 -28.078 1.00 0.00 O ATOM 686 CG2 THR A 45 57.973 -11.477 -29.458 1.00 0.00 C ATOM 0 H THR A 45 58.829 -8.927 -26.552 1.00 0.00 H new ATOM 0 HA THR A 45 58.461 -11.684 -26.833 1.00 0.00 H new ATOM 0 HB THR A 45 58.940 -9.606 -29.014 1.00 0.00 H new ATOM 0 HG1 THR A 45 56.955 -9.891 -27.129 1.00 0.00 H new ATOM 0 HG21 THR A 45 57.445 -11.083 -30.327 1.00 0.00 H new ATOM 0 HG22 THR A 45 58.894 -11.962 -29.782 1.00 0.00 H new ATOM 0 HG23 THR A 45 57.341 -12.204 -28.948 1.00 0.00 H new ATOM 694 N HIS A 46 60.443 -12.746 -27.975 1.00 0.00 N ATOM 695 CA HIS A 46 61.679 -13.383 -28.419 1.00 0.00 C ATOM 696 C HIS A 46 62.795 -13.159 -27.403 1.00 0.00 C ATOM 697 O HIS A 46 63.435 -12.123 -27.471 1.00 0.00 O ATOM 698 CB HIS A 46 62.096 -12.815 -29.778 1.00 0.00 C ATOM 699 CG HIS A 46 63.343 -13.446 -30.335 1.00 0.00 C ATOM 700 ND1 HIS A 46 64.595 -12.877 -30.172 1.00 0.00 N ATOM 701 CD2 HIS A 46 63.545 -14.596 -31.058 1.00 0.00 C ATOM 702 CE1 HIS A 46 65.488 -13.676 -30.784 1.00 0.00 C ATOM 703 NE2 HIS A 46 64.902 -14.738 -31.341 1.00 0.00 N ATOM 704 OXT HIS A 46 62.993 -14.029 -26.571 1.00 0.00 O ATOM 0 H HIS A 46 59.645 -13.376 -27.889 1.00 0.00 H new ATOM 0 HA HIS A 46 61.503 -14.455 -28.511 1.00 0.00 H new ATOM 0 HB2 HIS A 46 61.280 -12.954 -30.487 1.00 0.00 H new ATOM 0 HB3 HIS A 46 62.254 -11.741 -29.681 1.00 0.00 H new ATOM 0 HD2 HIS A 46 62.770 -15.285 -31.361 1.00 0.00 H new ATOM 0 HE1 HIS A 46 66.550 -13.482 -30.820 1.00 0.00 H new ATOM 0 HE2 HIS A 46 65.351 -15.491 -31.862 1.00 0.00 H new TER 712 HIS A 46