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+ -171:sc=-0.00791 (180deg=-0.114) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -89:sc= 1.26 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc=0.000828 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,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 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 8.677 -1.469 17.049 1.00 0.00 N ATOM 2 CA ARG A 1 9.599 -2.069 16.041 1.00 0.00 C ATOM 3 C ARG A 1 10.833 -1.186 15.833 1.00 0.00 C ATOM 4 O ARG A 1 11.887 -1.685 15.440 1.00 0.00 O ATOM 5 CB ARG A 1 8.855 -2.242 14.714 1.00 0.00 C ATOM 6 CG ARG A 1 9.752 -2.971 13.711 1.00 0.00 C ATOM 7 CD ARG A 1 9.052 -3.049 12.354 1.00 0.00 C ATOM 8 NE ARG A 1 7.807 -3.814 12.468 1.00 0.00 N ATOM 9 CZ ARG A 1 7.745 -5.148 12.338 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.809 -5.878 12.102 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.588 -5.739 12.454 1.00 0.00 N ATOM 0 H1 ARG A 1 7.929 -2.152 17.286 1.00 0.00 H new ATOM 0 H2 ARG A 1 9.211 -1.229 17.908 1.00 0.00 H new ATOM 0 H3 ARG A 1 8.247 -0.607 16.657 1.00 0.00 H new ATOM 0 HA ARG A 1 9.933 -3.040 16.408 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.936 -2.807 14.872 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.567 -1.268 14.318 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.703 -2.447 13.611 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.978 -3.974 14.073 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.838 -2.044 11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.710 -3.519 11.624 1.00 0.00 H new ATOM 0 HE ARG A 1 6.943 -3.306 12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.723 -5.434 12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.723 -6.890 12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.750 -5.188 12.640 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.521 -6.752 12.358 1.00 0.00 H new ATOM 25 N SER A 2 10.696 0.123 16.039 1.00 0.00 N ATOM 26 CA SER A 2 11.827 1.035 15.882 1.00 0.00 C ATOM 27 C SER A 2 13.000 0.663 16.792 1.00 0.00 C ATOM 28 O SER A 2 14.152 0.952 16.467 1.00 0.00 O ATOM 29 CB SER A 2 11.381 2.464 16.194 1.00 0.00 C ATOM 30 OG SER A 2 10.248 2.784 15.397 1.00 0.00 O ATOM 0 H SER A 2 9.822 0.572 16.312 1.00 0.00 H new ATOM 0 HA SER A 2 12.168 0.958 14.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.135 2.558 17.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.192 3.163 15.992 1.00 0.00 H new ATOM 0 HG SER A 2 9.957 3.699 15.594 1.00 0.00 H new ATOM 36 N LEU A 3 12.715 0.044 17.937 1.00 0.00 N ATOM 37 CA LEU A 3 13.774 -0.361 18.865 1.00 0.00 C ATOM 38 C LEU A 3 14.792 -1.300 18.206 1.00 0.00 C ATOM 39 O LEU A 3 15.969 -1.300 18.567 1.00 0.00 O ATOM 40 CB LEU A 3 13.131 -1.047 20.077 1.00 0.00 C ATOM 41 CG LEU A 3 14.159 -1.224 21.212 1.00 0.00 C ATOM 42 CD1 LEU A 3 13.462 -1.090 22.572 1.00 0.00 C ATOM 43 CD2 LEU A 3 14.817 -2.609 21.118 1.00 0.00 C ATOM 0 H LEU A 3 11.770 -0.187 18.244 1.00 0.00 H new ATOM 0 HA LEU A 3 14.319 0.531 19.176 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.288 -0.454 20.432 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.735 -2.019 19.783 1.00 0.00 H new ATOM 0 HG LEU A 3 14.923 -0.453 21.114 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.194 -1.216 23.370 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.005 -0.103 22.651 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.691 -1.855 22.663 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.541 -2.723 21.924 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.053 -3.381 21.204 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.324 -2.706 20.158 1.00 0.00 H new ATOM 55 N LEU A 4 14.350 -2.055 17.203 1.00 0.00 N ATOM 56 CA LEU A 4 15.208 -3.020 16.514 1.00 0.00 C ATOM 57 C LEU A 4 16.452 -2.356 15.907 1.00 0.00 C ATOM 58 O LEU A 4 17.470 -3.015 15.697 1.00 0.00 O ATOM 59 CB LEU A 4 14.398 -3.734 15.413 1.00 0.00 C ATOM 60 CG LEU A 4 14.710 -5.240 15.347 1.00 0.00 C ATOM 61 CD1 LEU A 4 16.213 -5.488 15.173 1.00 0.00 C ATOM 62 CD2 LEU A 4 14.226 -5.926 16.627 1.00 0.00 C ATOM 0 H LEU A 4 13.395 -2.017 16.846 1.00 0.00 H new ATOM 0 HA LEU A 4 15.555 -3.745 17.250 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.333 -3.593 15.598 1.00 0.00 H new ATOM 0 HB3 LEU A 4 14.617 -3.276 14.448 1.00 0.00 H new ATOM 0 HG LEU A 4 14.190 -5.655 14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.402 -6.561 15.130 1.00 0.00 H new ATOM 0 HD12 LEU A 4 16.554 -5.022 14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 4 16.753 -5.058 16.017 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.449 -6.992 16.575 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.734 -5.490 17.488 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.150 -5.785 16.731 1.00 0.00 H new ATOM 74 N GLU A 5 16.380 -1.053 15.643 1.00 0.00 N ATOM 75 CA GLU A 5 17.454 -0.370 14.923 1.00 0.00 C ATOM 76 C GLU A 5 18.732 -0.255 15.759 1.00 0.00 C ATOM 77 O GLU A 5 19.818 -0.108 15.196 1.00 0.00 O ATOM 78 CB GLU A 5 16.987 1.033 14.529 1.00 0.00 C ATOM 79 CG GLU A 5 15.796 0.930 13.569 1.00 0.00 C ATOM 80 CD GLU A 5 15.339 2.308 13.079 1.00 0.00 C ATOM 81 OE1 GLU A 5 15.795 3.311 13.606 1.00 0.00 O ATOM 82 OE2 GLU A 5 14.525 2.338 12.170 1.00 0.00 O ATOM 0 H GLU A 5 15.599 -0.454 15.913 1.00 0.00 H new ATOM 0 HA GLU A 5 17.686 -0.964 14.039 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.702 1.595 15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.803 1.579 14.055 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.071 0.313 12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.968 0.429 14.070 1.00 0.00 H new ATOM 89 N GLY A 6 18.618 -0.315 17.086 1.00 0.00 N ATOM 90 CA GLY A 6 19.806 -0.377 17.934 1.00 0.00 C ATOM 91 C GLY A 6 20.630 0.910 17.881 1.00 0.00 C ATOM 92 O GLY A 6 21.849 0.857 18.005 1.00 0.00 O ATOM 0 H GLY A 6 17.731 -0.322 17.589 1.00 0.00 H new ATOM 0 HA2 GLY A 6 19.504 -0.569 18.964 1.00 0.00 H new ATOM 0 HA3 GLY A 6 20.428 -1.216 17.622 1.00 0.00 H new ATOM 96 N GLU A 7 19.984 2.039 17.601 1.00 0.00 N ATOM 97 CA GLU A 7 20.666 3.334 17.532 1.00 0.00 C ATOM 98 C GLU A 7 21.393 3.703 18.835 1.00 0.00 C ATOM 99 O GLU A 7 22.356 4.470 18.815 1.00 0.00 O ATOM 100 CB GLU A 7 19.639 4.417 17.189 1.00 0.00 C ATOM 101 CG GLU A 7 20.338 5.758 16.934 1.00 0.00 C ATOM 102 CD GLU A 7 21.161 5.711 15.646 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.837 4.922 14.772 1.00 0.00 O ATOM 104 OE2 GLU A 7 22.109 6.474 15.552 1.00 0.00 O ATOM 0 H GLU A 7 18.982 2.085 17.417 1.00 0.00 H new ATOM 0 HA GLU A 7 21.431 3.261 16.759 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.072 4.122 16.306 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.925 4.522 18.006 1.00 0.00 H new ATOM 0 HG2 GLU A 7 19.595 6.552 16.866 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.987 6.000 17.776 1.00 0.00 H new ATOM 111 N ILE A 8 20.962 3.130 19.956 1.00 0.00 N ATOM 112 CA ILE A 8 21.360 3.623 21.281 1.00 0.00 C ATOM 113 C ILE A 8 22.884 3.707 21.557 1.00 0.00 C ATOM 114 O ILE A 8 23.255 4.557 22.372 1.00 0.00 O ATOM 115 CB ILE A 8 20.678 2.766 22.369 1.00 0.00 C ATOM 116 CG1 ILE A 8 19.157 2.762 22.169 1.00 0.00 C ATOM 117 CG2 ILE A 8 20.962 3.329 23.769 1.00 0.00 C ATOM 118 CD1 ILE A 8 18.522 1.723 23.097 1.00 0.00 C ATOM 0 H ILE A 8 20.337 2.324 19.978 1.00 0.00 H new ATOM 0 HA ILE A 8 21.026 4.660 21.305 1.00 0.00 H new ATOM 0 HB ILE A 8 21.079 1.756 22.285 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.749 3.751 22.380 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.917 2.533 21.131 1.00 0.00 H new ATOM 0 HG21 ILE A 8 20.471 2.708 24.518 1.00 0.00 H new ATOM 0 HG22 ILE A 8 22.037 3.332 23.949 1.00 0.00 H new ATOM 0 HG23 ILE A 8 20.580 4.348 23.836 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.441 1.720 22.955 1.00 0.00 H new ATOM 0 HD12 ILE A 8 18.921 0.736 22.865 1.00 0.00 H new ATOM 0 HD13 ILE A 8 18.751 1.972 24.133 1.00 0.00 H new ATOM 130 N PRO A 9 23.776 2.924 20.964 1.00 0.00 N ATOM 131 CA PRO A 9 25.244 3.046 21.265 1.00 0.00 C ATOM 132 C PRO A 9 25.784 4.454 21.031 1.00 0.00 C ATOM 133 O PRO A 9 25.320 5.177 20.149 1.00 0.00 O ATOM 134 CB PRO A 9 25.920 2.039 20.334 1.00 0.00 C ATOM 135 CG PRO A 9 24.868 1.022 20.074 1.00 0.00 C ATOM 136 CD PRO A 9 23.564 1.811 20.022 1.00 0.00 C ATOM 0 HA PRO A 9 25.441 2.846 22.318 1.00 0.00 H new ATOM 0 HB2 PRO A 9 26.254 2.512 19.410 1.00 0.00 H new ATOM 0 HB3 PRO A 9 26.799 1.593 20.800 1.00 0.00 H new ATOM 0 HG2 PRO A 9 25.050 0.497 19.136 1.00 0.00 H new ATOM 0 HG3 PRO A 9 24.843 0.269 20.862 1.00 0.00 H new ATOM 0 HD2 PRO A 9 23.359 2.175 19.015 1.00 0.00 H new ATOM 0 HD3 PRO A 9 22.714 1.196 20.318 1.00 0.00 H new ATOM 144 N PHE A 10 26.769 4.828 21.840 1.00 0.00 N ATOM 145 CA PHE A 10 27.365 6.157 21.763 1.00 0.00 C ATOM 146 C PHE A 10 27.885 6.439 20.348 1.00 0.00 C ATOM 147 O PHE A 10 28.320 5.511 19.663 1.00 0.00 O ATOM 148 CB PHE A 10 28.504 6.278 22.776 1.00 0.00 C ATOM 149 CG PHE A 10 28.031 6.272 24.212 1.00 0.00 C ATOM 150 CD1 PHE A 10 27.588 5.081 24.800 1.00 0.00 C ATOM 151 CD2 PHE A 10 28.032 7.459 24.954 1.00 0.00 C ATOM 152 CE1 PHE A 10 27.145 5.077 26.128 1.00 0.00 C ATOM 153 CE2 PHE A 10 27.590 7.455 26.283 1.00 0.00 C ATOM 154 CZ PHE A 10 27.146 6.264 26.870 1.00 0.00 C ATOM 0 H PHE A 10 27.173 4.228 22.559 1.00 0.00 H new ATOM 0 HA PHE A 10 26.597 6.894 21.999 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.202 5.454 22.627 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.054 7.200 22.586 1.00 0.00 H new ATOM 0 HD1 PHE A 10 27.588 4.165 24.229 1.00 0.00 H new ATOM 0 HD2 PHE A 10 28.374 8.378 24.502 1.00 0.00 H new ATOM 0 HE1 PHE A 10 26.802 4.158 26.580 1.00 0.00 H new ATOM 0 HE2 PHE A 10 27.592 8.371 26.855 1.00 0.00 H new ATOM 0 HZ PHE A 10 26.805 6.261 27.895 1.00 0.00 H new ATOM 164 N PRO A 11 27.858 7.673 19.887 1.00 0.00 N ATOM 165 CA PRO A 11 28.255 7.992 18.475 1.00 0.00 C ATOM 166 C PRO A 11 29.655 7.535 18.019 1.00 0.00 C ATOM 167 O PRO A 11 29.819 7.326 16.811 1.00 0.00 O ATOM 168 CB PRO A 11 28.170 9.521 18.388 1.00 0.00 C ATOM 169 CG PRO A 11 27.280 9.940 19.504 1.00 0.00 C ATOM 170 CD PRO A 11 27.467 8.905 20.608 1.00 0.00 C ATOM 0 HA PRO A 11 27.590 7.441 17.810 1.00 0.00 H new ATOM 0 HB2 PRO A 11 29.157 9.974 18.483 1.00 0.00 H new ATOM 0 HB3 PRO A 11 27.766 9.836 17.426 1.00 0.00 H new ATOM 0 HG2 PRO A 11 27.542 10.938 19.857 1.00 0.00 H new ATOM 0 HG3 PRO A 11 26.240 9.979 19.179 1.00 0.00 H new ATOM 0 HD2 PRO A 11 28.236 9.213 21.317 1.00 0.00 H new ATOM 0 HD3 PRO A 11 26.549 8.759 21.177 1.00 0.00 H new ATOM 178 N PRO A 12 30.668 7.396 18.865 1.00 0.00 N ATOM 179 CA PRO A 12 31.999 6.911 18.373 1.00 0.00 C ATOM 180 C PRO A 12 31.897 5.559 17.672 1.00 0.00 C ATOM 181 O PRO A 12 32.665 5.281 16.750 1.00 0.00 O ATOM 182 CB PRO A 12 32.862 6.814 19.631 1.00 0.00 C ATOM 183 CG PRO A 12 32.253 7.782 20.582 1.00 0.00 C ATOM 184 CD PRO A 12 30.754 7.757 20.295 1.00 0.00 C ATOM 0 HA PRO A 12 32.419 7.586 17.627 1.00 0.00 H new ATOM 0 HB2 PRO A 12 32.857 5.803 20.038 1.00 0.00 H new ATOM 0 HB3 PRO A 12 33.901 7.067 19.419 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.459 7.499 21.614 1.00 0.00 H new ATOM 0 HG3 PRO A 12 32.662 8.782 20.438 1.00 0.00 H new ATOM 0 HD2 PRO A 12 30.240 7.028 20.922 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.294 8.726 20.490 1.00 0.00 H new ATOM 192 N THR A 13 30.936 4.727 18.080 1.00 0.00 N ATOM 193 CA THR A 13 30.711 3.470 17.370 1.00 0.00 C ATOM 194 C THR A 13 30.353 3.731 15.906 1.00 0.00 C ATOM 195 O THR A 13 30.786 3.003 15.008 1.00 0.00 O ATOM 196 CB THR A 13 29.584 2.682 18.041 1.00 0.00 C ATOM 197 OG1 THR A 13 28.379 3.431 17.969 1.00 0.00 O ATOM 198 CG2 THR A 13 29.938 2.419 19.506 1.00 0.00 C ATOM 0 H THR A 13 30.319 4.894 18.874 1.00 0.00 H new ATOM 0 HA THR A 13 31.632 2.888 17.407 1.00 0.00 H new ATOM 0 HB THR A 13 29.453 1.729 17.528 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.309 4.013 18.754 1.00 0.00 H new ATOM 0 HG21 THR A 13 29.133 1.858 19.980 1.00 0.00 H new ATOM 0 HG22 THR A 13 30.862 1.843 19.559 1.00 0.00 H new ATOM 0 HG23 THR A 13 30.072 3.369 20.024 1.00 0.00 H new ATOM 206 N SER A 14 29.603 4.805 15.654 1.00 0.00 N ATOM 207 CA SER A 14 29.320 5.205 14.281 1.00 0.00 C ATOM 208 C SER A 14 30.611 5.537 13.538 1.00 0.00 C ATOM 209 O SER A 14 30.766 5.200 12.361 1.00 0.00 O ATOM 210 CB SER A 14 28.394 6.423 14.273 1.00 0.00 C ATOM 211 OG SER A 14 27.240 6.136 15.051 1.00 0.00 O ATOM 0 H SER A 14 29.189 5.402 16.370 1.00 0.00 H new ATOM 0 HA SER A 14 28.831 4.373 13.775 1.00 0.00 H new ATOM 0 HB2 SER A 14 28.913 7.292 14.677 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.106 6.670 13.251 1.00 0.00 H new ATOM 0 HG SER A 14 26.644 6.914 15.051 1.00 0.00 H new ATOM 217 N ILE A 15 31.555 6.176 14.232 1.00 0.00 N ATOM 218 CA ILE A 15 32.842 6.477 13.606 1.00 0.00 C ATOM 219 C ILE A 15 33.535 5.188 13.161 1.00 0.00 C ATOM 220 O ILE A 15 34.206 5.166 12.125 1.00 0.00 O ATOM 221 CB ILE A 15 33.747 7.250 14.575 1.00 0.00 C ATOM 222 CG1 ILE A 15 33.032 8.522 15.042 1.00 0.00 C ATOM 223 CG2 ILE A 15 35.047 7.648 13.870 1.00 0.00 C ATOM 224 CD1 ILE A 15 33.853 9.199 16.142 1.00 0.00 C ATOM 0 H ILE A 15 31.458 6.487 15.199 1.00 0.00 H new ATOM 0 HA ILE A 15 32.656 7.098 12.730 1.00 0.00 H new ATOM 0 HB ILE A 15 33.972 6.613 15.430 1.00 0.00 H new ATOM 0 HG12 ILE A 15 32.897 9.204 14.203 1.00 0.00 H new ATOM 0 HG13 ILE A 15 32.038 8.276 15.415 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.684 8.196 14.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 35.566 6.752 13.531 1.00 0.00 H new ATOM 0 HG23 ILE A 15 34.817 8.280 13.012 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.342 10.104 16.473 1.00 0.00 H new ATOM 0 HD12 ILE A 15 33.965 8.517 16.985 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.837 9.460 15.753 1.00 0.00 H new ATOM 236 N LEU A 16 33.356 4.104 13.921 1.00 0.00 N ATOM 237 CA LEU A 16 33.906 2.818 13.498 1.00 0.00 C ATOM 238 C LEU A 16 33.316 2.388 12.157 1.00 0.00 C ATOM 239 O LEU A 16 34.016 1.814 11.319 1.00 0.00 O ATOM 240 CB LEU A 16 33.626 1.742 14.552 1.00 0.00 C ATOM 241 CG LEU A 16 34.193 2.176 15.906 1.00 0.00 C ATOM 242 CD1 LEU A 16 33.821 1.139 16.969 1.00 0.00 C ATOM 243 CD2 LEU A 16 35.719 2.278 15.819 1.00 0.00 C ATOM 0 H LEU A 16 32.850 4.090 14.806 1.00 0.00 H new ATOM 0 HA LEU A 16 34.984 2.936 13.385 1.00 0.00 H new ATOM 0 HB2 LEU A 16 32.552 1.573 14.635 1.00 0.00 H new ATOM 0 HB3 LEU A 16 34.074 0.797 14.247 1.00 0.00 H new ATOM 0 HG LEU A 16 33.777 3.147 16.174 1.00 0.00 H new ATOM 0 HD11 LEU A 16 34.224 1.446 17.934 1.00 0.00 H new ATOM 0 HD12 LEU A 16 32.736 1.061 17.037 1.00 0.00 H new ATOM 0 HD13 LEU A 16 34.238 0.170 16.694 1.00 0.00 H new ATOM 0 HD21 LEU A 16 36.119 2.587 16.785 1.00 0.00 H new ATOM 0 HD22 LEU A 16 36.134 1.307 15.549 1.00 0.00 H new ATOM 0 HD23 LEU A 16 35.992 3.013 15.061 1.00 0.00 H new ATOM 255 N LEU A 17 32.036 2.704 11.932 1.00 0.00 N ATOM 256 CA LEU A 17 31.435 2.411 10.632 1.00 0.00 C ATOM 257 C LEU A 17 32.170 3.146 9.511 1.00 0.00 C ATOM 258 O LEU A 17 32.341 2.609 8.412 1.00 0.00 O ATOM 259 CB LEU A 17 29.954 2.805 10.615 1.00 0.00 C ATOM 260 CG LEU A 17 29.210 2.120 11.768 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.752 2.585 11.777 1.00 0.00 C ATOM 262 CD2 LEU A 17 29.247 0.601 11.580 1.00 0.00 C ATOM 0 H LEU A 17 31.416 3.148 12.609 1.00 0.00 H new ATOM 0 HA LEU A 17 31.520 1.337 10.466 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.857 3.887 10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.505 2.520 9.663 1.00 0.00 H new ATOM 0 HG LEU A 17 29.691 2.382 12.710 1.00 0.00 H new ATOM 0 HD11 LEU A 17 27.220 2.100 12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 17 27.716 3.666 11.911 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.280 2.321 10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.717 0.120 12.402 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.768 0.339 10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 17 30.283 0.261 11.567 1.00 0.00 H new ATOM 274 N LEU A 18 32.640 4.362 9.799 1.00 0.00 N ATOM 275 CA LEU A 18 33.441 5.089 8.815 1.00 0.00 C ATOM 276 C LEU A 18 34.711 4.316 8.467 1.00 0.00 C ATOM 277 O LEU A 18 35.155 4.318 7.316 1.00 0.00 O ATOM 278 CB LEU A 18 33.818 6.478 9.340 1.00 0.00 C ATOM 279 CG LEU A 18 32.559 7.250 9.746 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.964 8.595 10.355 1.00 0.00 C ATOM 281 CD2 LEU A 18 31.688 7.500 8.513 1.00 0.00 C ATOM 0 H LEU A 18 32.485 4.852 10.680 1.00 0.00 H new ATOM 0 HA LEU A 18 32.836 5.200 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.486 6.382 10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.360 7.030 8.572 1.00 0.00 H new ATOM 0 HG LEU A 18 31.998 6.667 10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 18 32.070 9.147 10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.586 8.424 11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.525 9.173 9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.793 8.049 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.250 8.083 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.400 6.546 8.071 1.00 0.00 H new ATOM 293 N LEU A 19 35.282 3.623 9.456 1.00 0.00 N ATOM 294 CA LEU A 19 36.423 2.750 9.181 1.00 0.00 C ATOM 295 C LEU A 19 36.053 1.659 8.178 1.00 0.00 C ATOM 296 O LEU A 19 36.877 1.255 7.358 1.00 0.00 O ATOM 297 CB LEU A 19 36.937 2.103 10.470 1.00 0.00 C ATOM 298 CG LEU A 19 38.260 1.389 10.186 1.00 0.00 C ATOM 299 CD1 LEU A 19 39.364 2.425 9.968 1.00 0.00 C ATOM 300 CD2 LEU A 19 38.624 0.500 11.377 1.00 0.00 C ATOM 0 H LEU A 19 34.982 3.648 10.430 1.00 0.00 H new ATOM 0 HA LEU A 19 37.211 3.370 8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.078 2.862 11.240 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.203 1.394 10.852 1.00 0.00 H new ATOM 0 HG LEU A 19 38.157 0.776 9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 19 40.306 1.916 9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 19 39.105 3.060 9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.468 3.039 10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 19 39.566 -0.009 11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.727 1.114 12.271 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.838 -0.239 11.533 1.00 0.00 H new ATOM 312 N ALA A 20 34.799 1.207 8.222 1.00 0.00 N ATOM 313 CA ALA A 20 34.331 0.223 7.252 1.00 0.00 C ATOM 314 C ALA A 20 34.417 0.777 5.835 1.00 0.00 C ATOM 315 O ALA A 20 34.791 0.066 4.898 1.00 0.00 O ATOM 316 CB ALA A 20 32.884 -0.164 7.563 1.00 0.00 C ATOM 0 H ALA A 20 34.102 1.501 8.906 1.00 0.00 H new ATOM 0 HA ALA A 20 34.969 -0.658 7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.540 -0.899 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.829 -0.591 8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.251 0.722 7.511 1.00 0.00 H new ATOM 322 N CYS A 21 34.101 2.061 5.681 1.00 0.00 N ATOM 323 CA CYS A 21 34.222 2.694 4.372 1.00 0.00 C ATOM 324 C CYS A 21 35.669 2.645 3.889 1.00 0.00 C ATOM 325 O CYS A 21 35.940 2.370 2.716 1.00 0.00 O ATOM 326 CB CYS A 21 33.751 4.148 4.445 1.00 0.00 C ATOM 327 SG CYS A 21 32.013 4.194 4.946 1.00 0.00 S ATOM 0 H CYS A 21 33.767 2.671 6.427 1.00 0.00 H new ATOM 0 HA CYS A 21 33.595 2.150 3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.361 4.704 5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 21 33.874 4.631 3.475 1.00 0.00 H new ATOM 0 HG CYS A 21 31.613 5.429 5.011 1.00 0.00 H new ATOM 333 N ILE A 22 36.605 2.885 4.808 1.00 0.00 N ATOM 334 CA ILE A 22 38.018 2.792 4.456 1.00 0.00 C ATOM 335 C ILE A 22 38.365 1.383 3.971 1.00 0.00 C ATOM 336 O ILE A 22 39.188 1.218 3.069 1.00 0.00 O ATOM 337 CB ILE A 22 38.888 3.172 5.663 1.00 0.00 C ATOM 338 CG1 ILE A 22 38.537 4.595 6.112 1.00 0.00 C ATOM 339 CG2 ILE A 22 40.372 3.129 5.281 1.00 0.00 C ATOM 340 CD1 ILE A 22 39.245 4.949 7.429 1.00 0.00 C ATOM 0 H ILE A 22 36.416 3.139 5.778 1.00 0.00 H new ATOM 0 HA ILE A 22 38.218 3.490 3.643 1.00 0.00 H new ATOM 0 HB ILE A 22 38.701 2.463 6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 22 38.826 5.306 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 22 37.458 4.684 6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 22 40.978 3.400 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 22 40.635 2.123 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 22 40.560 3.833 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.978 5.964 7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 22 38.936 4.251 8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 22 40.324 4.883 7.291 1.00 0.00 H new ATOM 352 N PHE A 23 37.722 0.365 4.548 1.00 0.00 N ATOM 353 CA PHE A 23 37.945 -1.001 4.074 1.00 0.00 C ATOM 354 C PHE A 23 37.568 -1.140 2.601 1.00 0.00 C ATOM 355 O PHE A 23 38.210 -1.888 1.859 1.00 0.00 O ATOM 356 CB PHE A 23 37.141 -1.998 4.911 1.00 0.00 C ATOM 357 CG PHE A 23 37.455 -3.440 4.591 1.00 0.00 C ATOM 358 CD1 PHE A 23 38.514 -4.087 5.238 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.687 -4.130 3.644 1.00 0.00 C ATOM 360 CE1 PHE A 23 38.805 -5.424 4.939 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.978 -5.466 3.346 1.00 0.00 C ATOM 362 CZ PHE A 23 38.037 -6.114 3.994 1.00 0.00 C ATOM 0 H PHE A 23 37.062 0.455 5.321 1.00 0.00 H new ATOM 0 HA PHE A 23 39.007 -1.220 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.339 -1.817 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 23 36.077 -1.821 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 23 39.107 -3.555 5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.870 -3.631 3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 23 39.623 -5.923 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.386 -5.998 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 23 38.261 -7.145 3.765 1.00 0.00 H new ATOM 372 N LEU A 24 36.534 -0.413 2.170 1.00 0.00 N ATOM 373 CA LEU A 24 36.179 -0.403 0.754 1.00 0.00 C ATOM 374 C LEU A 24 37.341 0.119 -0.092 1.00 0.00 C ATOM 375 O LEU A 24 37.610 -0.401 -1.177 1.00 0.00 O ATOM 376 CB LEU A 24 34.944 0.489 0.553 1.00 0.00 C ATOM 377 CG LEU A 24 34.085 0.048 -0.644 1.00 0.00 C ATOM 378 CD1 LEU A 24 34.916 -0.002 -1.929 1.00 0.00 C ATOM 379 CD2 LEU A 24 33.473 -1.330 -0.374 1.00 0.00 C ATOM 0 H LEU A 24 35.941 0.163 2.768 1.00 0.00 H new ATOM 0 HA LEU A 24 35.957 -1.422 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 34.336 0.471 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 35.265 1.520 0.405 1.00 0.00 H new ATOM 0 HG LEU A 24 33.289 0.781 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.284 -0.317 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.323 0.987 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 24 35.734 -0.712 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 24 32.867 -1.633 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 24 34.269 -2.058 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 24 32.847 -1.282 0.517 1.00 0.00 H new ATOM 391 N ILE A 25 38.065 1.115 0.424 1.00 0.00 N ATOM 392 CA ILE A 25 39.280 1.568 -0.256 1.00 0.00 C ATOM 393 C ILE A 25 40.308 0.436 -0.365 1.00 0.00 C ATOM 394 O ILE A 25 41.036 0.339 -1.354 1.00 0.00 O ATOM 395 CB ILE A 25 39.893 2.776 0.468 1.00 0.00 C ATOM 396 CG1 ILE A 25 38.846 3.888 0.576 1.00 0.00 C ATOM 397 CG2 ILE A 25 41.096 3.300 -0.324 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.394 5.035 1.429 1.00 0.00 C ATOM 0 H ILE A 25 37.840 1.611 1.286 1.00 0.00 H new ATOM 0 HA ILE A 25 39.000 1.873 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 25 40.216 2.471 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.586 4.253 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.931 3.497 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 25 41.527 4.157 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 25 41.845 2.513 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.772 3.603 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.645 5.824 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.631 4.665 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.297 5.434 0.966 1.00 0.00 H new ATOM 410 N ALA A 26 40.333 -0.453 0.632 1.00 0.00 N ATOM 411 CA ALA A 26 41.275 -1.565 0.611 1.00 0.00 C ATOM 412 C ALA A 26 41.022 -2.496 -0.570 1.00 0.00 C ATOM 413 O ALA A 26 41.952 -2.828 -1.310 1.00 0.00 O ATOM 414 CB ALA A 26 41.169 -2.358 1.915 1.00 0.00 C ATOM 0 H ALA A 26 39.722 -0.423 1.448 1.00 0.00 H new ATOM 0 HA ALA A 26 42.277 -1.149 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 26 41.875 -3.188 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 26 41.400 -1.706 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 26 40.156 -2.746 2.024 1.00 0.00 H new ATOM 420 N ILE A 27 39.766 -2.908 -0.757 1.00 0.00 N ATOM 421 CA ILE A 27 39.451 -3.780 -1.886 1.00 0.00 C ATOM 422 C ILE A 27 39.795 -3.109 -3.216 1.00 0.00 C ATOM 423 O ILE A 27 40.184 -3.790 -4.168 1.00 0.00 O ATOM 424 CB ILE A 27 37.984 -4.237 -1.842 1.00 0.00 C ATOM 425 CG1 ILE A 27 37.717 -5.227 -2.980 1.00 0.00 C ATOM 426 CG2 ILE A 27 37.024 -3.052 -1.964 1.00 0.00 C ATOM 427 CD1 ILE A 27 36.417 -5.985 -2.703 1.00 0.00 C ATOM 0 H ILE A 27 38.975 -2.661 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 27 40.072 -4.672 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 27 37.811 -4.718 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.645 -4.696 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 27 38.547 -5.928 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 27 35.996 -3.412 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 27 37.194 -2.359 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 27 37.197 -2.539 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 27 36.227 -6.689 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 27 36.506 -6.529 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 27 35.590 -5.278 -2.636 1.00 0.00 H new ATOM 439 N LEU A 28 39.689 -1.778 -3.281 1.00 0.00 N ATOM 440 CA LEU A 28 40.137 -1.064 -4.475 1.00 0.00 C ATOM 441 C LEU A 28 41.628 -1.293 -4.725 1.00 0.00 C ATOM 442 O LEU A 28 42.066 -1.423 -5.870 1.00 0.00 O ATOM 443 CB LEU A 28 39.872 0.435 -4.319 1.00 0.00 C ATOM 444 CG LEU A 28 40.177 1.150 -5.637 1.00 0.00 C ATOM 445 CD1 LEU A 28 39.113 0.784 -6.675 1.00 0.00 C ATOM 446 CD2 LEU A 28 40.167 2.663 -5.411 1.00 0.00 C ATOM 0 H LEU A 28 39.307 -1.189 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 28 39.578 -1.449 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 28 38.833 0.603 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 28 40.492 0.843 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 28 41.158 0.842 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 28 39.330 1.293 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 28 39.118 -0.294 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 28 38.132 1.092 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 28 40.384 3.173 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 28 39.186 2.970 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 28 40.924 2.926 -4.672 1.00 0.00 H new ATOM 458 N ALA A 29 42.402 -1.400 -3.645 1.00 0.00 N ATOM 459 CA ALA A 29 43.820 -1.717 -3.771 1.00 0.00 C ATOM 460 C ALA A 29 44.019 -3.089 -4.405 1.00 0.00 C ATOM 461 O ALA A 29 44.916 -3.283 -5.228 1.00 0.00 O ATOM 462 CB ALA A 29 44.486 -1.691 -2.394 1.00 0.00 C ATOM 0 H ALA A 29 42.075 -1.274 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 29 44.278 -0.966 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 29 45.545 -1.929 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 29 44.378 -0.699 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 29 44.010 -2.427 -1.746 1.00 0.00 H new ATOM 468 N ALA A 30 43.160 -4.037 -4.037 1.00 0.00 N ATOM 469 CA ALA A 30 43.240 -5.373 -4.612 1.00 0.00 C ATOM 470 C ALA A 30 43.038 -5.326 -6.123 1.00 0.00 C ATOM 471 O ALA A 30 43.727 -6.021 -6.874 1.00 0.00 O ATOM 472 CB ALA A 30 42.175 -6.274 -3.983 1.00 0.00 C ATOM 0 H ALA A 30 42.413 -3.907 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 30 44.231 -5.776 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.240 -7.272 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.339 -6.335 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.186 -5.858 -4.176 1.00 0.00 H new ATOM 478 N SER A 31 42.117 -4.477 -6.570 1.00 0.00 N ATOM 479 CA SER A 31 41.898 -4.308 -8.003 1.00 0.00 C ATOM 480 C SER A 31 43.168 -3.824 -8.697 1.00 0.00 C ATOM 481 O SER A 31 43.496 -4.271 -9.799 1.00 0.00 O ATOM 482 CB SER A 31 40.773 -3.301 -8.240 1.00 0.00 C ATOM 483 OG SER A 31 39.623 -3.705 -7.509 1.00 0.00 O ATOM 0 H SER A 31 41.520 -3.905 -5.973 1.00 0.00 H new ATOM 0 HA SER A 31 41.621 -5.276 -8.421 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.087 -2.306 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 31 40.540 -3.241 -9.303 1.00 0.00 H new ATOM 0 HG SER A 31 38.899 -3.061 -7.656 1.00 0.00 H new ATOM 489 N ALA A 32 43.912 -2.943 -8.028 1.00 0.00 N ATOM 490 CA ALA A 32 45.173 -2.469 -8.586 1.00 0.00 C ATOM 491 C ALA A 32 46.141 -3.630 -8.782 1.00 0.00 C ATOM 492 O ALA A 32 46.841 -3.704 -9.794 1.00 0.00 O ATOM 493 CB ALA A 32 45.799 -1.430 -7.653 1.00 0.00 C ATOM 0 H ALA A 32 43.668 -2.551 -7.118 1.00 0.00 H new ATOM 0 HA ALA A 32 44.972 -2.012 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 32 46.741 -1.081 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 32 45.118 -0.587 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 32 45.985 -1.881 -6.678 1.00 0.00 H new ATOM 499 N LEU A 33 46.165 -4.549 -7.817 1.00 0.00 N ATOM 500 CA LEU A 33 47.023 -5.723 -7.946 1.00 0.00 C ATOM 501 C LEU A 33 46.657 -6.532 -9.188 1.00 0.00 C ATOM 502 O LEU A 33 47.534 -7.071 -9.865 1.00 0.00 O ATOM 503 CB LEU A 33 46.889 -6.607 -6.704 1.00 0.00 C ATOM 504 CG LEU A 33 47.911 -7.744 -6.769 1.00 0.00 C ATOM 505 CD1 LEU A 33 49.317 -7.180 -6.552 1.00 0.00 C ATOM 506 CD2 LEU A 33 47.602 -8.771 -5.678 1.00 0.00 C ATOM 0 H LEU A 33 45.615 -4.506 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 33 48.054 -5.381 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 33 47.048 -6.013 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 33 45.880 -7.015 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 33 47.858 -8.224 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 33 50.045 -7.990 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 33 49.539 -6.448 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 33 49.370 -6.700 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 33 48.330 -9.581 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 33 47.655 -8.291 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 33 46.601 -9.174 -5.831 1.00 0.00 H new ATOM 518 N TRP A 34 45.363 -6.591 -9.506 1.00 0.00 N ATOM 519 CA TRP A 34 44.938 -7.234 -10.749 1.00 0.00 C ATOM 520 C TRP A 34 45.560 -6.552 -11.969 1.00 0.00 C ATOM 521 O TRP A 34 45.884 -7.204 -12.963 1.00 0.00 O ATOM 522 CB TRP A 34 43.413 -7.201 -10.862 1.00 0.00 C ATOM 523 CG TRP A 34 42.881 -8.064 -11.961 1.00 0.00 C ATOM 524 CD1 TRP A 34 42.408 -7.612 -13.145 1.00 0.00 C ATOM 525 CD2 TRP A 34 42.757 -9.518 -12.000 1.00 0.00 C ATOM 526 NE1 TRP A 34 42.003 -8.692 -13.908 1.00 0.00 N ATOM 527 CE2 TRP A 34 42.198 -9.888 -13.248 1.00 0.00 C ATOM 528 CE3 TRP A 34 43.071 -10.538 -11.087 1.00 0.00 C ATOM 529 CZ2 TRP A 34 41.960 -11.225 -13.575 1.00 0.00 C ATOM 530 CZ3 TRP A 34 42.835 -11.882 -11.412 1.00 0.00 C ATOM 531 CH2 TRP A 34 42.281 -12.226 -12.652 1.00 0.00 C ATOM 0 H TRP A 34 44.607 -6.211 -8.936 1.00 0.00 H new ATOM 0 HA TRP A 34 45.280 -8.269 -10.725 1.00 0.00 H new ATOM 0 HB2 TRP A 34 42.979 -7.522 -9.915 1.00 0.00 H new ATOM 0 HB3 TRP A 34 43.090 -6.173 -11.028 1.00 0.00 H new ATOM 0 HD1 TRP A 34 42.355 -6.576 -13.446 1.00 0.00 H new ATOM 0 HE1 TRP A 34 41.608 -8.614 -14.845 1.00 0.00 H new ATOM 0 HE3 TRP A 34 43.497 -10.286 -10.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 41.532 -11.484 -14.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 43.082 -12.657 -10.701 1.00 0.00 H new ATOM 0 HH2 TRP A 34 42.102 -13.263 -12.895 1.00 0.00 H new ATOM 542 N ALA A 35 45.773 -5.238 -11.871 1.00 0.00 N ATOM 543 CA ALA A 35 46.463 -4.513 -12.932 1.00 0.00 C ATOM 544 C ALA A 35 47.889 -5.025 -13.104 1.00 0.00 C ATOM 545 O ALA A 35 48.384 -5.153 -14.223 1.00 0.00 O ATOM 546 CB ALA A 35 46.496 -3.019 -12.605 1.00 0.00 C ATOM 0 H ALA A 35 45.482 -4.664 -11.080 1.00 0.00 H new ATOM 0 HA ALA A 35 45.919 -4.675 -13.863 1.00 0.00 H new ATOM 0 HB1 ALA A 35 47.013 -2.484 -13.401 1.00 0.00 H new ATOM 0 HB2 ALA A 35 45.477 -2.643 -12.517 1.00 0.00 H new ATOM 0 HB3 ALA A 35 47.022 -2.864 -11.663 1.00 0.00 H new ATOM 552 N ALA A 36 48.542 -5.315 -11.981 1.00 0.00 N ATOM 553 CA ALA A 36 49.895 -5.856 -12.024 1.00 0.00 C ATOM 554 C ALA A 36 49.940 -7.202 -12.741 1.00 0.00 C ATOM 555 O ALA A 36 50.910 -7.508 -13.434 1.00 0.00 O ATOM 556 CB ALA A 36 50.432 -6.021 -10.602 1.00 0.00 C ATOM 0 H ALA A 36 48.162 -5.186 -11.043 1.00 0.00 H new ATOM 0 HA ALA A 36 50.516 -5.154 -12.580 1.00 0.00 H new ATOM 0 HB1 ALA A 36 51.443 -6.426 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 36 50.447 -5.051 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 36 49.789 -6.704 -10.047 1.00 0.00 H new ATOM 562 N ALA A 37 48.900 -8.014 -12.554 1.00 0.00 N ATOM 563 CA ALA A 37 48.832 -9.304 -13.233 1.00 0.00 C ATOM 564 C ALA A 37 48.806 -9.131 -14.749 1.00 0.00 C ATOM 565 O ALA A 37 49.443 -9.889 -15.481 1.00 0.00 O ATOM 566 CB ALA A 37 47.579 -10.058 -12.785 1.00 0.00 C ATOM 0 H ALA A 37 48.106 -7.805 -11.948 1.00 0.00 H new ATOM 0 HA ALA A 37 49.723 -9.873 -12.968 1.00 0.00 H new ATOM 0 HB1 ALA A 37 47.532 -11.021 -13.294 1.00 0.00 H new ATOM 0 HB2 ALA A 37 47.617 -10.219 -11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 37 46.694 -9.473 -13.033 1.00 0.00 H new ATOM 572 N TRP A 38 48.069 -8.125 -15.214 1.00 0.00 N ATOM 573 CA TRP A 38 48.070 -7.785 -16.635 1.00 0.00 C ATOM 574 C TRP A 38 49.470 -7.438 -17.154 1.00 0.00 C ATOM 575 O TRP A 38 49.750 -7.594 -18.342 1.00 0.00 O ATOM 576 CB TRP A 38 47.121 -6.612 -16.894 1.00 0.00 C ATOM 577 CG TRP A 38 45.676 -6.986 -16.792 1.00 0.00 C ATOM 578 CD1 TRP A 38 44.780 -6.411 -15.957 1.00 0.00 C ATOM 579 CD2 TRP A 38 44.944 -8.007 -17.533 1.00 0.00 C ATOM 580 NE1 TRP A 38 43.548 -7.009 -16.139 1.00 0.00 N ATOM 581 CE2 TRP A 38 43.596 -8.000 -17.098 1.00 0.00 C ATOM 582 CE3 TRP A 38 45.314 -8.928 -18.529 1.00 0.00 C ATOM 583 CZ2 TRP A 38 42.649 -8.877 -17.635 1.00 0.00 C ATOM 584 CZ3 TRP A 38 44.367 -9.810 -19.070 1.00 0.00 C ATOM 585 CH2 TRP A 38 43.038 -9.786 -18.624 1.00 0.00 C ATOM 0 H TRP A 38 47.470 -7.537 -14.635 1.00 0.00 H new ATOM 0 HA TRP A 38 47.730 -8.668 -17.175 1.00 0.00 H new ATOM 0 HB2 TRP A 38 47.334 -5.817 -16.180 1.00 0.00 H new ATOM 0 HB3 TRP A 38 47.316 -6.209 -17.888 1.00 0.00 H new ATOM 0 HD1 TRP A 38 44.993 -5.613 -15.261 1.00 0.00 H new ATOM 0 HE1 TRP A 38 42.705 -6.749 -15.627 1.00 0.00 H new ATOM 0 HE3 TRP A 38 46.335 -8.956 -18.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 41.626 -8.853 -17.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 44.664 -10.512 -19.835 1.00 0.00 H new ATOM 0 HH2 TRP A 38 42.315 -10.469 -19.044 1.00 0.00 H new ATOM 596 N HIS A 39 50.344 -6.970 -16.266 1.00 0.00 N ATOM 597 CA HIS A 39 51.680 -6.539 -16.663 1.00 0.00 C ATOM 598 C HIS A 39 52.442 -7.660 -17.362 1.00 0.00 C ATOM 599 O HIS A 39 52.286 -8.835 -17.031 1.00 0.00 O ATOM 600 CB HIS A 39 52.466 -6.081 -15.433 1.00 0.00 C ATOM 601 CG HIS A 39 53.627 -5.184 -15.769 1.00 0.00 C ATOM 602 ND1 HIS A 39 53.457 -3.845 -16.082 1.00 0.00 N ATOM 603 CD2 HIS A 39 54.978 -5.420 -15.849 1.00 0.00 C ATOM 604 CE1 HIS A 39 54.673 -3.329 -16.334 1.00 0.00 C ATOM 605 NE2 HIS A 39 55.637 -4.245 -16.206 1.00 0.00 N ATOM 0 H HIS A 39 50.151 -6.880 -15.269 1.00 0.00 H new ATOM 0 HA HIS A 39 51.569 -5.711 -17.363 1.00 0.00 H new ATOM 0 HB2 HIS A 39 51.793 -5.555 -14.756 1.00 0.00 H new ATOM 0 HB3 HIS A 39 52.835 -6.957 -14.899 1.00 0.00 H new ATOM 0 HD2 HIS A 39 55.456 -6.370 -15.664 1.00 0.00 H new ATOM 0 HE1 HIS A 39 54.849 -2.299 -16.607 1.00 0.00 H new ATOM 0 HE2 HIS A 39 56.639 -4.113 -16.341 1.00 0.00 H new ATOM 613 N GLY A 40 53.264 -7.282 -18.336 1.00 0.00 N ATOM 614 CA GLY A 40 54.128 -8.239 -19.019 1.00 0.00 C ATOM 615 C GLY A 40 55.028 -8.957 -18.019 1.00 0.00 C ATOM 616 O GLY A 40 55.401 -8.391 -16.992 1.00 0.00 O ATOM 0 H GLY A 40 53.350 -6.322 -18.670 1.00 0.00 H new ATOM 0 HA2 GLY A 40 53.520 -8.966 -19.557 1.00 0.00 H new ATOM 0 HA3 GLY A 40 54.738 -7.722 -19.760 1.00 0.00 H new ATOM 620 N GLN A 41 55.376 -10.207 -18.318 1.00 0.00 N ATOM 621 CA GLN A 41 56.213 -10.994 -17.416 1.00 0.00 C ATOM 622 C GLN A 41 57.525 -10.263 -17.125 1.00 0.00 C ATOM 623 O GLN A 41 58.071 -9.578 -17.990 1.00 0.00 O ATOM 624 CB GLN A 41 56.504 -12.363 -18.038 1.00 0.00 C ATOM 625 CG GLN A 41 55.192 -13.128 -18.232 1.00 0.00 C ATOM 626 CD GLN A 41 55.449 -14.462 -18.930 1.00 0.00 C ATOM 627 OE1 GLN A 41 56.491 -14.653 -19.559 1.00 0.00 O ATOM 628 NE2 GLN A 41 54.554 -15.408 -18.852 1.00 0.00 N ATOM 0 H GLN A 41 55.094 -10.693 -19.170 1.00 0.00 H new ATOM 0 HA GLN A 41 55.678 -11.132 -16.476 1.00 0.00 H new ATOM 0 HB2 GLN A 41 57.009 -12.239 -18.996 1.00 0.00 H new ATOM 0 HB3 GLN A 41 57.176 -12.931 -17.394 1.00 0.00 H new ATOM 0 HG2 GLN A 41 54.719 -13.302 -17.265 1.00 0.00 H new ATOM 0 HG3 GLN A 41 54.499 -12.529 -18.823 1.00 0.00 H new ATOM 0 HE21 GLN A 41 53.691 -15.252 -18.332 1.00 0.00 H new ATOM 0 HE22 GLN A 41 54.718 -16.304 -19.311 1.00 0.00 H new ATOM 637 N LYS A 42 58.020 -10.414 -15.900 1.00 0.00 N ATOM 638 CA LYS A 42 59.183 -9.654 -15.442 1.00 0.00 C ATOM 639 C LYS A 42 60.456 -9.792 -16.298 1.00 0.00 C ATOM 640 O LYS A 42 61.251 -8.849 -16.296 1.00 0.00 O ATOM 641 CB LYS A 42 59.506 -10.059 -14.002 1.00 0.00 C ATOM 642 CG LYS A 42 58.392 -9.563 -13.076 1.00 0.00 C ATOM 643 CD LYS A 42 58.729 -9.918 -11.627 1.00 0.00 C ATOM 644 CE LYS A 42 57.459 -9.842 -10.777 1.00 0.00 C ATOM 645 NZ LYS A 42 57.828 -9.643 -9.347 1.00 0.00 N ATOM 0 H LYS A 42 57.636 -11.055 -15.206 1.00 0.00 H new ATOM 0 HA LYS A 42 58.892 -8.607 -15.528 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.600 -11.142 -13.929 1.00 0.00 H new ATOM 0 HB3 LYS A 42 60.463 -9.635 -13.698 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.274 -8.484 -13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.442 -10.015 -13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 42 59.155 -10.920 -11.576 1.00 0.00 H new ATOM 0 HD3 LYS A 42 59.482 -9.232 -11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.829 -9.021 -11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 42 56.878 -10.757 -10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.965 -9.591 -8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 58.413 -10.441 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 58.365 -8.758 -9.247 1.00 0.00 H new ATOM 659 N PRO A 43 60.709 -10.883 -17.007 1.00 0.00 N ATOM 660 CA PRO A 43 61.858 -10.927 -17.968 1.00 0.00 C ATOM 661 C PRO A 43 61.788 -9.807 -19.003 1.00 0.00 C ATOM 662 O PRO A 43 60.706 -9.420 -19.442 1.00 0.00 O ATOM 663 CB PRO A 43 61.741 -12.295 -18.642 1.00 0.00 C ATOM 664 CG PRO A 43 61.034 -13.149 -17.650 1.00 0.00 C ATOM 665 CD PRO A 43 60.089 -12.218 -16.892 1.00 0.00 C ATOM 0 HA PRO A 43 62.810 -10.786 -17.457 1.00 0.00 H new ATOM 0 HB2 PRO A 43 61.183 -12.229 -19.576 1.00 0.00 H new ATOM 0 HB3 PRO A 43 62.723 -12.701 -18.885 1.00 0.00 H new ATOM 0 HG2 PRO A 43 60.481 -13.947 -18.146 1.00 0.00 H new ATOM 0 HG3 PRO A 43 61.741 -13.625 -16.971 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.089 -12.229 -17.326 1.00 0.00 H new ATOM 0 HD3 PRO A 43 59.988 -12.519 -15.849 1.00 0.00 H new ATOM 673 N GLY A 44 62.952 -9.292 -19.387 1.00 0.00 N ATOM 674 CA GLY A 44 63.018 -8.226 -20.381 1.00 0.00 C ATOM 675 C GLY A 44 62.349 -8.651 -21.683 1.00 0.00 C ATOM 676 O GLY A 44 62.402 -9.820 -22.066 1.00 0.00 O ATOM 0 H GLY A 44 63.858 -9.593 -19.027 1.00 0.00 H new ATOM 0 HA2 GLY A 44 62.531 -7.331 -19.993 1.00 0.00 H new ATOM 0 HA3 GLY A 44 64.059 -7.965 -20.571 1.00 0.00 H new ATOM 680 N THR A 45 61.721 -7.694 -22.360 1.00 0.00 N ATOM 681 CA THR A 45 61.048 -7.980 -23.623 1.00 0.00 C ATOM 682 C THR A 45 62.022 -8.593 -24.625 1.00 0.00 C ATOM 683 O THR A 45 63.205 -8.251 -24.645 1.00 0.00 O ATOM 684 CB THR A 45 60.462 -6.692 -24.208 1.00 0.00 C ATOM 685 OG1 THR A 45 61.515 -5.780 -24.486 1.00 0.00 O ATOM 686 CG2 THR A 45 59.490 -6.064 -23.207 1.00 0.00 C ATOM 0 H THR A 45 61.664 -6.721 -22.058 1.00 0.00 H new ATOM 0 HA THR A 45 60.245 -8.692 -23.429 1.00 0.00 H new ATOM 0 HB THR A 45 59.927 -6.923 -25.129 1.00 0.00 H new ATOM 0 HG1 THR A 45 61.143 -4.955 -24.862 1.00 0.00 H new ATOM 0 HG21 THR A 45 59.076 -5.148 -23.628 1.00 0.00 H new ATOM 0 HG22 THR A 45 58.682 -6.764 -22.996 1.00 0.00 H new ATOM 0 HG23 THR A 45 60.019 -5.832 -22.283 1.00 0.00 H new ATOM 694 N HIS A 46 61.517 -9.500 -25.456 1.00 0.00 N ATOM 695 CA HIS A 46 62.352 -10.159 -26.455 1.00 0.00 C ATOM 696 C HIS A 46 62.137 -9.532 -27.830 1.00 0.00 C ATOM 697 O HIS A 46 61.132 -8.864 -28.003 1.00 0.00 O ATOM 698 CB HIS A 46 62.015 -11.649 -26.515 1.00 0.00 C ATOM 699 CG HIS A 46 62.203 -12.357 -25.200 1.00 0.00 C ATOM 700 ND1 HIS A 46 61.144 -12.622 -24.347 1.00 0.00 N ATOM 701 CD2 HIS A 46 63.319 -12.858 -24.578 1.00 0.00 C ATOM 702 CE1 HIS A 46 61.639 -13.256 -23.269 1.00 0.00 C ATOM 703 NE2 HIS A 46 62.960 -13.426 -23.358 1.00 0.00 N ATOM 704 OXT HIS A 46 62.980 -9.732 -28.688 1.00 0.00 O ATOM 0 H HIS A 46 60.540 -9.794 -25.458 1.00 0.00 H new ATOM 0 HA HIS A 46 63.396 -10.033 -26.169 1.00 0.00 H new ATOM 0 HB2 HIS A 46 60.981 -11.767 -26.839 1.00 0.00 H new ATOM 0 HB3 HIS A 46 62.641 -12.126 -27.269 1.00 0.00 H new ATOM 0 HD2 HIS A 46 64.323 -12.818 -24.974 1.00 0.00 H new ATOM 0 HE1 HIS A 46 61.041 -13.587 -22.433 1.00 0.00 H new ATOM 0 HE2 HIS A 46 63.574 -13.875 -22.679 1.00 0.00 H new TER 712 HIS A 46