USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 5 SER OG : rot -45:sc= 0.154 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 105:sc= 1 USER MOD Single : A 13 HIS : no HE2:sc= -0.22 K(o=-0.22,f=-2.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00367 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.11) USER MOD Single : A 26 SER OG : rot 170:sc= -0.571 USER MOD Single : A 27 GLN : amide:sc= -0.762 K(o=-0.76,f=-9.6!) USER MOD Single : A 33 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.059) USER MOD Single : A 34 ASN : amide:sc= 1.1 K(o=1.1,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 -1.069 28.713 -7.314 1.00 0.00 N ATOM 44 CA SER A 5 -0.653 27.307 -7.260 1.00 0.00 C ATOM 45 C SER A 5 0.435 27.035 -6.216 1.00 0.00 C ATOM 46 O SER A 5 0.955 25.922 -6.144 1.00 0.00 O ATOM 47 CB SER A 5 -0.180 26.837 -8.638 1.00 0.00 C ATOM 48 OG SER A 5 -0.264 25.425 -8.748 1.00 0.00 O ATOM 0 HA SER A 5 -1.533 26.740 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.788 27.303 -9.414 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.849 27.158 -8.803 1.00 0.00 H new ATOM 0 HG SER A 5 0.103 25.011 -7.939 1.00 0.00 H new ATOM 54 N LEU A 6 0.768 28.031 -5.396 1.00 0.00 N ATOM 55 CA LEU A 6 1.790 27.850 -4.359 1.00 0.00 C ATOM 56 C LEU A 6 1.299 26.899 -3.269 1.00 0.00 C ATOM 57 O LEU A 6 1.986 25.943 -2.911 1.00 0.00 O ATOM 58 CB LEU A 6 2.221 29.196 -3.754 1.00 0.00 C ATOM 59 CG LEU A 6 1.085 30.105 -3.283 1.00 0.00 C ATOM 60 CD1 LEU A 6 0.953 30.058 -1.769 1.00 0.00 C ATOM 61 CD2 LEU A 6 1.323 31.534 -3.746 1.00 0.00 C ATOM 0 H LEU A 6 0.352 28.962 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 6 2.664 27.404 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.879 28.999 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.809 29.735 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 6 0.154 29.745 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.139 30.711 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.741 29.036 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.884 30.392 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.506 32.169 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.264 31.898 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.370 31.561 -4.835 1.00 0.00 H new ATOM 73 N SER A 7 0.096 27.154 -2.767 1.00 0.00 N ATOM 74 CA SER A 7 -0.506 26.306 -1.736 1.00 0.00 C ATOM 75 C SER A 7 -1.102 25.041 -2.357 1.00 0.00 C ATOM 76 O SER A 7 -1.215 24.004 -1.700 1.00 0.00 O ATOM 77 CB SER A 7 -1.586 27.074 -0.971 1.00 0.00 C ATOM 78 OG SER A 7 -2.118 26.291 0.085 1.00 0.00 O ATOM 0 H SER A 7 -0.485 27.941 -3.055 1.00 0.00 H new ATOM 0 HA SER A 7 0.278 26.015 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.165 27.995 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.386 27.361 -1.654 1.00 0.00 H new ATOM 0 HG SER A 7 -2.805 26.805 0.559 1.00 0.00 H new ATOM 84 N ILE A 8 -1.480 25.137 -3.632 1.00 0.00 N ATOM 85 CA ILE A 8 -2.062 24.012 -4.358 1.00 0.00 C ATOM 86 C ILE A 8 -1.029 22.949 -4.671 1.00 0.00 C ATOM 87 O ILE A 8 -1.256 21.767 -4.430 1.00 0.00 O ATOM 88 CB ILE A 8 -2.739 24.485 -5.662 1.00 0.00 C ATOM 89 CG1 ILE A 8 -3.792 25.550 -5.349 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.364 23.314 -6.409 1.00 0.00 C ATOM 91 CD1 ILE A 8 -5.108 24.987 -4.853 1.00 0.00 C ATOM 0 H ILE A 8 -1.392 25.990 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.816 23.571 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.977 24.923 -6.307 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.393 26.231 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.976 26.140 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.834 23.675 -7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.590 22.588 -6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.115 22.839 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.801 25.804 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.531 24.329 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.940 24.422 -3.936 1.00 0.00 H new ATOM 103 N ASP A 9 0.100 23.382 -5.193 1.00 0.00 N ATOM 104 CA ASP A 9 1.189 22.469 -5.540 1.00 0.00 C ATOM 105 C ASP A 9 1.477 21.505 -4.394 1.00 0.00 C ATOM 106 O ASP A 9 1.362 20.288 -4.546 1.00 0.00 O ATOM 107 CB ASP A 9 2.454 23.253 -5.908 1.00 0.00 C ATOM 108 CG ASP A 9 3.482 22.393 -6.613 1.00 0.00 C ATOM 109 OD1 ASP A 9 4.207 21.647 -5.922 1.00 0.00 O ATOM 110 OD2 ASP A 9 3.559 22.461 -7.856 1.00 0.00 O ATOM 0 H ASP A 9 0.296 24.364 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 9 0.877 21.886 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.184 24.092 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.894 23.672 -5.003 1.00 0.00 H new ATOM 115 N LEU A 10 1.832 22.061 -3.245 1.00 0.00 N ATOM 116 CA LEU A 10 2.130 21.257 -2.059 1.00 0.00 C ATOM 117 C LEU A 10 0.914 20.434 -1.618 1.00 0.00 C ATOM 118 O LEU A 10 1.020 19.224 -1.408 1.00 0.00 O ATOM 119 CB LEU A 10 2.623 22.147 -0.908 1.00 0.00 C ATOM 120 CG LEU A 10 1.660 23.254 -0.463 1.00 0.00 C ATOM 121 CD1 LEU A 10 0.902 22.833 0.785 1.00 0.00 C ATOM 122 CD2 LEU A 10 2.418 24.546 -0.210 1.00 0.00 C ATOM 0 H LEU A 10 1.922 23.067 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 10 2.925 20.561 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.839 21.512 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.564 22.608 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 10 0.940 23.424 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.224 23.632 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.329 21.930 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.609 22.635 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.720 25.322 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.160 24.386 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.919 24.859 -1.126 1.00 0.00 H new ATOM 134 N THR A 11 -0.241 21.092 -1.485 1.00 0.00 N ATOM 135 CA THR A 11 -1.470 20.414 -1.069 1.00 0.00 C ATOM 136 C THR A 11 -1.851 19.314 -2.052 1.00 0.00 C ATOM 137 O THR A 11 -2.014 18.158 -1.658 1.00 0.00 O ATOM 138 CB THR A 11 -2.621 21.413 -0.924 1.00 0.00 C ATOM 139 OG1 THR A 11 -2.240 22.503 -0.104 1.00 0.00 O ATOM 140 CG2 THR A 11 -3.871 20.812 -0.319 1.00 0.00 C ATOM 0 H THR A 11 -0.350 22.091 -1.659 1.00 0.00 H new ATOM 0 HA THR A 11 -1.281 19.956 -0.098 1.00 0.00 H new ATOM 0 HB THR A 11 -2.845 21.735 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.073 23.290 -0.663 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.644 21.577 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.225 19.997 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.645 20.429 0.676 1.00 0.00 H new ATOM 148 N PHE A 12 -1.970 19.665 -3.332 1.00 0.00 N ATOM 149 CA PHE A 12 -2.306 18.687 -4.354 1.00 0.00 C ATOM 150 C PHE A 12 -1.255 17.575 -4.404 1.00 0.00 C ATOM 151 O PHE A 12 -1.571 16.423 -4.706 1.00 0.00 O ATOM 152 CB PHE A 12 -2.430 19.380 -5.710 1.00 0.00 C ATOM 153 CG PHE A 12 -3.828 19.380 -6.255 1.00 0.00 C ATOM 154 CD1 PHE A 12 -4.827 20.098 -5.619 1.00 0.00 C ATOM 155 CD2 PHE A 12 -4.144 18.665 -7.397 1.00 0.00 C ATOM 156 CE1 PHE A 12 -6.118 20.102 -6.112 1.00 0.00 C ATOM 157 CE2 PHE A 12 -5.433 18.664 -7.895 1.00 0.00 C ATOM 158 CZ PHE A 12 -6.421 19.383 -7.253 1.00 0.00 C ATOM 0 H PHE A 12 -1.839 20.615 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.263 18.229 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.085 20.410 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.770 18.886 -6.423 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.594 20.661 -4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.375 18.102 -7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.888 20.666 -5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.667 18.101 -8.786 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.429 19.384 -7.641 1.00 0.00 H new ATOM 168 N HIS A 13 -0.006 17.927 -4.082 1.00 0.00 N ATOM 169 CA HIS A 13 1.090 16.959 -4.067 1.00 0.00 C ATOM 170 C HIS A 13 0.997 16.051 -2.843 1.00 0.00 C ATOM 171 O HIS A 13 1.146 14.833 -2.957 1.00 0.00 O ATOM 172 CB HIS A 13 2.442 17.682 -4.074 1.00 0.00 C ATOM 173 CG HIS A 13 3.598 16.816 -4.479 1.00 0.00 C ATOM 174 ND1 HIS A 13 3.699 15.482 -4.144 1.00 0.00 N ATOM 175 CD2 HIS A 13 4.709 17.107 -5.194 1.00 0.00 C ATOM 176 CE1 HIS A 13 4.822 14.990 -4.634 1.00 0.00 C ATOM 177 NE2 HIS A 13 5.454 15.955 -5.276 1.00 0.00 N ATOM 0 H HIS A 13 0.269 18.876 -3.829 1.00 0.00 H new ATOM 0 HA HIS A 13 1.009 16.345 -4.964 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.384 18.532 -4.753 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.633 18.082 -3.078 1.00 0.00 H new ATOM 0 HD1 HIS A 13 3.013 14.957 -3.602 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.963 18.066 -5.621 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.165 13.971 -4.528 1.00 0.00 H new ATOM 186 N LEU A 14 0.764 16.649 -1.672 1.00 0.00 N ATOM 187 CA LEU A 14 0.665 15.886 -0.426 1.00 0.00 C ATOM 188 C LEU A 14 -0.631 15.070 -0.359 1.00 0.00 C ATOM 189 O LEU A 14 -0.600 13.883 -0.023 1.00 0.00 O ATOM 190 CB LEU A 14 0.795 16.811 0.795 1.00 0.00 C ATOM 191 CG LEU A 14 -0.287 17.880 0.942 1.00 0.00 C ATOM 192 CD1 LEU A 14 -1.464 17.354 1.747 1.00 0.00 C ATOM 193 CD2 LEU A 14 0.286 19.127 1.597 1.00 0.00 C ATOM 0 H LEU A 14 0.641 17.655 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 14 1.495 15.179 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.794 16.195 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.764 17.307 0.749 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.645 18.140 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.220 18.134 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.893 16.489 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.124 17.062 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.497 19.879 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.672 18.875 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.094 19.522 0.982 1.00 0.00 H new ATOM 205 N LEU A 15 -1.769 15.693 -0.683 1.00 0.00 N ATOM 206 CA LEU A 15 -3.055 14.988 -0.651 1.00 0.00 C ATOM 207 C LEU A 15 -3.069 13.827 -1.648 1.00 0.00 C ATOM 208 O LEU A 15 -3.623 12.760 -1.366 1.00 0.00 O ATOM 209 CB LEU A 15 -4.221 15.955 -0.914 1.00 0.00 C ATOM 210 CG LEU A 15 -4.400 16.412 -2.366 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.244 15.414 -3.142 1.00 0.00 C ATOM 212 CD2 LEU A 15 -5.040 17.789 -2.413 1.00 0.00 C ATOM 0 H LEU A 15 -1.827 16.671 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.184 14.573 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.144 15.476 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.082 16.838 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.416 16.467 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.359 15.757 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.753 14.441 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.226 15.328 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.160 18.099 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.016 17.753 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.403 18.504 -1.892 1.00 0.00 H new ATOM 224 N ARG A 16 -2.434 14.034 -2.801 1.00 0.00 N ATOM 225 CA ARG A 16 -2.344 13.006 -3.834 1.00 0.00 C ATOM 226 C ARG A 16 -1.805 11.707 -3.237 1.00 0.00 C ATOM 227 O ARG A 16 -2.407 10.643 -3.383 1.00 0.00 O ATOM 228 CB ARG A 16 -1.439 13.495 -4.971 1.00 0.00 C ATOM 229 CG ARG A 16 -0.723 12.383 -5.721 1.00 0.00 C ATOM 230 CD ARG A 16 -0.328 12.827 -7.121 1.00 0.00 C ATOM 231 NE ARG A 16 -1.489 13.295 -7.886 1.00 0.00 N ATOM 232 CZ ARG A 16 -1.468 14.286 -8.770 1.00 0.00 C ATOM 233 NH1 ARG A 16 -0.349 14.935 -9.038 1.00 0.00 N ATOM 234 NH2 ARG A 16 -2.580 14.620 -9.394 1.00 0.00 N ATOM 0 H ARG A 16 -1.972 14.911 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.338 12.811 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.040 14.066 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.695 14.178 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.167 12.082 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.370 11.508 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.411 13.625 -7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.145 11.997 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.380 12.824 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.516 14.677 -8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.350 15.694 -9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.446 14.119 -9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.574 15.380 -10.075 1.00 0.00 H new ATOM 248 N THR A 17 -0.671 11.812 -2.551 1.00 0.00 N ATOM 249 CA THR A 17 -0.042 10.658 -1.910 1.00 0.00 C ATOM 250 C THR A 17 -0.989 9.998 -0.906 1.00 0.00 C ATOM 251 O THR A 17 -1.102 8.772 -0.867 1.00 0.00 O ATOM 252 CB THR A 17 1.249 11.084 -1.204 1.00 0.00 C ATOM 253 OG1 THR A 17 2.029 11.921 -2.042 1.00 0.00 O ATOM 254 CG2 THR A 17 2.117 9.918 -0.787 1.00 0.00 C ATOM 0 H THR A 17 -0.165 12.689 -2.423 1.00 0.00 H new ATOM 0 HA THR A 17 0.194 9.931 -2.687 1.00 0.00 H new ATOM 0 HB THR A 17 0.924 11.614 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.848 12.183 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.014 10.291 -0.293 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.563 9.280 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.400 9.342 -1.668 1.00 0.00 H new ATOM 262 N LEU A 18 -1.669 10.814 -0.093 1.00 0.00 N ATOM 263 CA LEU A 18 -2.602 10.296 0.911 1.00 0.00 C ATOM 264 C LEU A 18 -3.751 9.508 0.269 1.00 0.00 C ATOM 265 O LEU A 18 -4.160 8.466 0.784 1.00 0.00 O ATOM 266 CB LEU A 18 -3.137 11.443 1.791 1.00 0.00 C ATOM 267 CG LEU A 18 -4.548 11.945 1.464 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.596 11.089 2.156 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.703 13.401 1.874 1.00 0.00 C ATOM 0 H LEU A 18 -1.591 11.831 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.054 9.600 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.123 11.113 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.448 12.284 1.714 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.696 11.868 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.590 11.462 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.503 10.057 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.448 11.134 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.711 13.741 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.533 13.497 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.977 14.010 1.335 1.00 0.00 H new ATOM 281 N LEU A 19 -4.270 10.005 -0.854 1.00 0.00 N ATOM 282 CA LEU A 19 -5.371 9.329 -1.546 1.00 0.00 C ATOM 283 C LEU A 19 -4.869 8.183 -2.431 1.00 0.00 C ATOM 284 O LEU A 19 -5.550 7.167 -2.584 1.00 0.00 O ATOM 285 CB LEU A 19 -6.198 10.331 -2.367 1.00 0.00 C ATOM 286 CG LEU A 19 -5.467 11.012 -3.529 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.476 10.128 -4.765 1.00 0.00 C ATOM 288 CD2 LEU A 19 -6.105 12.356 -3.837 1.00 0.00 C ATOM 0 H LEU A 19 -3.951 10.864 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.016 8.893 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.069 9.812 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.568 11.104 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.431 11.174 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.952 10.632 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.978 9.185 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.506 9.932 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.576 12.829 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.150 12.209 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.048 12.996 -2.957 1.00 0.00 H new ATOM 315 N LEU A 21 -2.439 6.262 -1.810 1.00 0.00 N ATOM 316 CA LEU A 21 -2.050 5.159 -0.930 1.00 0.00 C ATOM 317 C LEU A 21 -3.261 4.290 -0.571 1.00 0.00 C ATOM 318 O LEU A 21 -3.158 3.064 -0.537 1.00 0.00 O ATOM 319 CB LEU A 21 -1.357 5.689 0.337 1.00 0.00 C ATOM 320 CG LEU A 21 -2.280 6.133 1.478 1.00 0.00 C ATOM 321 CD1 LEU A 21 -2.595 4.966 2.401 1.00 0.00 C ATOM 322 CD2 LEU A 21 -1.643 7.266 2.266 1.00 0.00 C ATOM 0 HA LEU A 21 -1.337 4.533 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.694 4.911 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.729 6.534 0.056 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.213 6.490 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.251 5.303 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.090 4.178 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.669 4.579 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.311 7.569 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.696 6.929 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.464 8.114 1.605 1.00 0.00 H new ATOM 334 N ALA A 22 -4.407 4.933 -0.316 1.00 0.00 N ATOM 335 CA ALA A 22 -5.640 4.222 0.032 1.00 0.00 C ATOM 336 C ALA A 22 -5.999 3.177 -1.022 1.00 0.00 C ATOM 337 O ALA A 22 -6.092 1.981 -0.726 1.00 0.00 O ATOM 338 CB ALA A 22 -6.782 5.216 0.217 1.00 0.00 C ATOM 0 H ALA A 22 -4.504 5.948 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.474 3.695 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.694 4.678 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.532 5.912 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.937 5.769 -0.710 1.00 0.00 H new ATOM 344 N ARG A 23 -6.186 3.636 -2.253 1.00 0.00 N ATOM 345 CA ARG A 23 -6.519 2.743 -3.366 1.00 0.00 C ATOM 346 C ARG A 23 -5.456 1.654 -3.511 1.00 0.00 C ATOM 347 O ARG A 23 -5.781 0.471 -3.637 1.00 0.00 O ATOM 348 CB ARG A 23 -6.668 3.522 -4.682 1.00 0.00 C ATOM 349 CG ARG A 23 -5.753 4.735 -4.802 1.00 0.00 C ATOM 350 CD ARG A 23 -5.335 4.993 -6.241 1.00 0.00 C ATOM 351 NE ARG A 23 -6.471 4.936 -7.170 1.00 0.00 N ATOM 352 CZ ARG A 23 -6.501 5.536 -8.354 1.00 0.00 C ATOM 353 NH1 ARG A 23 -5.456 6.204 -8.800 1.00 0.00 N ATOM 354 NH2 ARG A 23 -7.583 5.449 -9.100 1.00 0.00 N ATOM 0 H ARG A 23 -6.114 4.620 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.477 2.274 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.468 2.847 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.702 3.851 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.264 5.614 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.865 4.582 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.861 5.972 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.588 4.256 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.291 4.400 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.610 6.265 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.493 6.660 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.391 4.923 -8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.613 5.908 -10.011 1.00 0.00 H new ATOM 368 N THR A 24 -4.185 2.060 -3.459 1.00 0.00 N ATOM 369 CA THR A 24 -3.072 1.114 -3.553 1.00 0.00 C ATOM 370 C THR A 24 -3.170 0.095 -2.422 1.00 0.00 C ATOM 371 O THR A 24 -3.141 -1.115 -2.659 1.00 0.00 O ATOM 372 CB THR A 24 -1.732 1.851 -3.491 1.00 0.00 C ATOM 373 OG1 THR A 24 -1.680 2.876 -4.468 1.00 0.00 O ATOM 374 CG2 THR A 24 -0.539 0.951 -3.721 1.00 0.00 C ATOM 0 H THR A 24 -3.902 3.034 -3.353 1.00 0.00 H new ATOM 0 HA THR A 24 -3.130 0.594 -4.509 1.00 0.00 H new ATOM 0 HB THR A 24 -1.675 2.256 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.817 3.337 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.377 1.539 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.519 0.172 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.614 0.492 -4.707 1.00 0.00 H new ATOM 382 N GLN A 25 -3.327 0.596 -1.189 1.00 0.00 N ATOM 383 CA GLN A 25 -3.479 -0.261 -0.019 1.00 0.00 C ATOM 384 C GLN A 25 -4.624 -1.239 -0.255 1.00 0.00 C ATOM 385 O GLN A 25 -4.464 -2.451 -0.108 1.00 0.00 O ATOM 386 CB GLN A 25 -3.755 0.590 1.228 1.00 0.00 C ATOM 387 CG GLN A 25 -3.279 -0.043 2.527 1.00 0.00 C ATOM 388 CD GLN A 25 -1.769 -0.082 2.634 1.00 0.00 C ATOM 389 OE1 GLN A 25 -1.128 0.926 2.916 1.00 0.00 O ATOM 390 NE2 GLN A 25 -1.188 -1.249 2.407 1.00 0.00 N ATOM 0 H GLN A 25 -3.351 1.595 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.557 -0.819 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.270 1.559 1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.827 0.777 1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.685 0.516 3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.671 -1.057 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.755 -2.065 2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.173 -1.333 2.464 1.00 0.00 H new ATOM 399 N SER A 26 -5.769 -0.691 -0.658 1.00 0.00 N ATOM 400 CA SER A 26 -6.955 -1.494 -0.959 1.00 0.00 C ATOM 401 C SER A 26 -6.642 -2.521 -2.046 1.00 0.00 C ATOM 402 O SER A 26 -6.962 -3.704 -1.911 1.00 0.00 O ATOM 403 CB SER A 26 -8.097 -0.587 -1.415 1.00 0.00 C ATOM 404 OG SER A 26 -9.333 -1.282 -1.438 1.00 0.00 O ATOM 0 H SER A 26 -5.902 0.312 -0.785 1.00 0.00 H new ATOM 0 HA SER A 26 -7.256 -2.023 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.172 0.270 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.879 -0.197 -2.409 1.00 0.00 H new ATOM 0 HG SER A 26 -10.064 -0.644 -1.575 1.00 0.00 H new ATOM 410 N GLN A 27 -6.005 -2.046 -3.121 1.00 0.00 N ATOM 411 CA GLN A 27 -5.624 -2.891 -4.254 1.00 0.00 C ATOM 412 C GLN A 27 -4.921 -4.171 -3.802 1.00 0.00 C ATOM 413 O GLN A 27 -5.299 -5.270 -4.207 1.00 0.00 O ATOM 414 CB GLN A 27 -4.717 -2.102 -5.206 1.00 0.00 C ATOM 415 CG GLN A 27 -4.769 -2.587 -6.645 1.00 0.00 C ATOM 416 CD GLN A 27 -6.131 -2.388 -7.281 1.00 0.00 C ATOM 417 OE1 GLN A 27 -7.061 -3.163 -7.050 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.266 -1.340 -8.080 1.00 0.00 N ATOM 0 H GLN A 27 -5.740 -1.067 -3.229 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.537 -3.185 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.002 -1.050 -5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.689 -2.164 -4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.018 -2.056 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.509 -3.645 -6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.473 -0.721 -8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.163 -1.152 -8.528 1.00 0.00 H new ATOM 427 N ARG A 28 -3.905 -4.026 -2.958 1.00 0.00 N ATOM 428 CA ARG A 28 -3.169 -5.183 -2.456 1.00 0.00 C ATOM 429 C ARG A 28 -3.990 -5.925 -1.402 1.00 0.00 C ATOM 430 O ARG A 28 -4.015 -7.156 -1.376 1.00 0.00 O ATOM 431 CB ARG A 28 -1.804 -4.768 -1.894 1.00 0.00 C ATOM 432 CG ARG A 28 -1.875 -4.153 -0.508 1.00 0.00 C ATOM 433 CD ARG A 28 -0.500 -3.750 0.014 1.00 0.00 C ATOM 434 NE ARG A 28 0.461 -4.862 -0.021 1.00 0.00 N ATOM 435 CZ ARG A 28 1.396 -5.091 0.899 1.00 0.00 C ATOM 436 NH1 ARG A 28 1.504 -4.322 1.967 1.00 0.00 N ATOM 437 NH2 ARG A 28 2.228 -6.105 0.750 1.00 0.00 N ATOM 0 H ARG A 28 -3.574 -3.127 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.992 -5.860 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.154 -5.642 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.343 -4.053 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.523 -3.277 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.329 -4.865 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.116 -2.923 -0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.595 -3.388 1.038 1.00 0.00 H new ATOM 0 HE ARG A 28 0.407 -5.507 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.865 -3.538 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.226 -4.512 2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.153 -6.710 -0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.945 -6.283 1.453 1.00 0.00 H new ATOM 451 N GLU A 29 -4.677 -5.164 -0.550 1.00 0.00 N ATOM 452 CA GLU A 29 -5.513 -5.729 0.493 1.00 0.00 C ATOM 453 C GLU A 29 -6.556 -6.672 -0.096 1.00 0.00 C ATOM 454 O GLU A 29 -6.661 -7.826 0.316 1.00 0.00 O ATOM 455 CB GLU A 29 -6.185 -4.597 1.263 1.00 0.00 C ATOM 456 CG GLU A 29 -5.863 -4.591 2.746 1.00 0.00 C ATOM 457 CD GLU A 29 -6.955 -3.952 3.577 1.00 0.00 C ATOM 458 OE1 GLU A 29 -7.246 -2.758 3.358 1.00 0.00 O ATOM 459 OE2 GLU A 29 -7.519 -4.648 4.446 1.00 0.00 O ATOM 0 H GLU A 29 -4.666 -4.144 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.891 -6.311 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.880 -3.644 0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.265 -4.674 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.707 -5.615 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.928 -4.056 2.909 1.00 0.00 H new ATOM 466 N ARG A 30 -7.312 -6.177 -1.073 1.00 0.00 N ATOM 467 CA ARG A 30 -8.343 -6.973 -1.737 1.00 0.00 C ATOM 468 C ARG A 30 -7.743 -8.208 -2.408 1.00 0.00 C ATOM 469 O ARG A 30 -8.335 -9.288 -2.379 1.00 0.00 O ATOM 470 CB ARG A 30 -9.097 -6.131 -2.766 1.00 0.00 C ATOM 471 CG ARG A 30 -8.261 -5.766 -3.980 1.00 0.00 C ATOM 472 CD ARG A 30 -9.031 -4.901 -4.963 1.00 0.00 C ATOM 473 NE ARG A 30 -9.719 -3.794 -4.291 1.00 0.00 N ATOM 474 CZ ARG A 30 -9.637 -2.520 -4.648 1.00 0.00 C ATOM 475 NH1 ARG A 30 -8.903 -2.142 -5.680 1.00 0.00 N ATOM 476 NH2 ARG A 30 -10.293 -1.612 -3.958 1.00 0.00 N ATOM 0 H ARG A 30 -7.230 -5.223 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.045 -7.307 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.980 -6.678 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.448 -5.216 -2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.364 -5.237 -3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.931 -6.677 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.346 -4.502 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.760 -5.514 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.305 -4.022 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.385 -2.836 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.854 -1.156 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.858 -1.891 -3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.236 -0.629 -4.225 1.00 0.00 H new ATOM 490 N ALA A 31 -6.552 -8.044 -2.989 1.00 0.00 N ATOM 491 CA ALA A 31 -5.854 -9.144 -3.642 1.00 0.00 C ATOM 492 C ALA A 31 -5.457 -10.173 -2.597 1.00 0.00 C ATOM 493 O ALA A 31 -5.641 -11.376 -2.785 1.00 0.00 O ATOM 494 CB ALA A 31 -4.632 -8.630 -4.393 1.00 0.00 C ATOM 0 H ALA A 31 -6.053 -7.155 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.516 -9.614 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.123 -9.465 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.946 -7.911 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.952 -8.146 -3.693 1.00 0.00 H new ATOM 500 N GLU A 32 -4.956 -9.673 -1.474 1.00 0.00 N ATOM 501 CA GLU A 32 -4.572 -10.524 -0.357 1.00 0.00 C ATOM 502 C GLU A 32 -5.819 -11.134 0.244 1.00 0.00 C ATOM 503 O GLU A 32 -5.965 -12.349 0.284 1.00 0.00 O ATOM 504 CB GLU A 32 -3.820 -9.713 0.708 1.00 0.00 C ATOM 505 CG GLU A 32 -2.491 -10.317 1.161 1.00 0.00 C ATOM 506 CD GLU A 32 -1.865 -11.252 0.147 1.00 0.00 C ATOM 507 OE1 GLU A 32 -1.444 -10.774 -0.927 1.00 0.00 O ATOM 508 OE2 GLU A 32 -1.791 -12.466 0.433 1.00 0.00 O ATOM 0 H GLU A 32 -4.806 -8.677 -1.313 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.908 -11.311 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.633 -8.713 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.465 -9.599 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.791 -9.510 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.649 -10.860 2.093 1.00 0.00 H new ATOM 515 N GLN A 33 -6.734 -10.271 0.677 1.00 0.00 N ATOM 516 CA GLN A 33 -7.998 -10.724 1.252 1.00 0.00 C ATOM 517 C GLN A 33 -8.627 -11.796 0.364 1.00 0.00 C ATOM 518 O GLN A 33 -9.137 -12.803 0.861 1.00 0.00 O ATOM 519 CB GLN A 33 -8.960 -9.544 1.434 1.00 0.00 C ATOM 520 CG GLN A 33 -9.221 -9.189 2.892 1.00 0.00 C ATOM 521 CD GLN A 33 -8.000 -8.619 3.590 1.00 0.00 C ATOM 522 OE1 GLN A 33 -7.177 -9.357 4.125 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.879 -7.299 3.589 1.00 0.00 N ATOM 0 H GLN A 33 -6.625 -9.257 0.641 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.799 -11.157 2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.552 -8.671 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.908 -9.781 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.034 -8.465 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.554 -10.081 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.586 -6.722 3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.079 -6.860 4.045 1.00 0.00 H new ATOM 532 N ASN A 34 -8.557 -11.586 -0.956 1.00 0.00 N ATOM 533 CA ASN A 34 -9.086 -12.534 -1.917 1.00 0.00 C ATOM 534 C ASN A 34 -8.494 -13.922 -1.681 1.00 0.00 C ATOM 535 O ASN A 34 -9.225 -14.913 -1.658 1.00 0.00 O ATOM 536 CB ASN A 34 -8.774 -12.047 -3.334 1.00 0.00 C ATOM 537 CG ASN A 34 -9.999 -11.532 -4.069 1.00 0.00 C ATOM 538 OD1 ASN A 34 -10.658 -12.269 -4.797 1.00 0.00 O ATOM 539 ND2 ASN A 34 -10.306 -10.258 -3.884 1.00 0.00 N ATOM 0 H ASN A 34 -8.134 -10.758 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.167 -12.606 -1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.028 -11.254 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.332 -12.864 -3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.116 -9.855 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.732 -9.679 -3.271 1.00 0.00 H new ATOM 546 N ARG A 35 -7.176 -13.994 -1.476 1.00 0.00 N ATOM 547 CA ARG A 35 -6.532 -15.276 -1.213 1.00 0.00 C ATOM 548 C ARG A 35 -6.534 -15.593 0.284 1.00 0.00 C ATOM 549 O ARG A 35 -6.596 -16.757 0.679 1.00 0.00 O ATOM 550 CB ARG A 35 -5.116 -15.311 -1.767 1.00 0.00 C ATOM 551 CG ARG A 35 -4.169 -14.384 -1.054 1.00 0.00 C ATOM 552 CD ARG A 35 -2.796 -15.012 -0.901 1.00 0.00 C ATOM 553 NE ARG A 35 -2.779 -16.001 0.182 1.00 0.00 N ATOM 554 CZ ARG A 35 -2.362 -15.769 1.419 1.00 0.00 C ATOM 555 NH1 ARG A 35 -1.932 -14.577 1.787 1.00 0.00 N ATOM 556 NH2 ARG A 35 -2.401 -16.745 2.298 1.00 0.00 N ATOM 0 H ARG A 35 -6.546 -13.192 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.110 -16.044 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.734 -16.330 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.142 -15.048 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.084 -13.450 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.570 -14.136 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.506 -15.490 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.059 -14.235 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.114 -16.940 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.916 -13.811 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.616 -14.422 2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.748 -17.664 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.084 -16.583 3.254 1.00 0.00 H new ATOM 570 N ILE A 36 -6.492 -14.547 1.110 1.00 0.00 N ATOM 571 CA ILE A 36 -6.509 -14.703 2.565 1.00 0.00 C ATOM 572 C ILE A 36 -7.779 -15.423 2.989 1.00 0.00 C ATOM 573 O ILE A 36 -7.735 -16.391 3.755 1.00 0.00 O ATOM 574 CB ILE A 36 -6.417 -13.338 3.290 1.00 0.00 C ATOM 575 CG1 ILE A 36 -5.048 -12.690 3.051 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.678 -13.496 4.783 1.00 0.00 C ATOM 577 CD1 ILE A 36 -3.942 -13.257 3.914 1.00 0.00 C ATOM 0 H ILE A 36 -6.446 -13.578 0.794 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.636 -15.291 2.847 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.186 -12.685 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.777 -12.813 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.127 -11.619 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.608 -12.523 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.676 -13.907 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.938 -14.171 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.006 -12.748 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.189 -13.110 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.834 -14.323 3.713 1.00 0.00 H new ATOM 589 N ILE A 37 -8.904 -14.966 2.452 1.00 0.00 N ATOM 590 CA ILE A 37 -10.196 -15.581 2.731 1.00 0.00 C ATOM 591 C ILE A 37 -10.219 -16.997 2.157 1.00 0.00 C ATOM 592 O ILE A 37 -10.687 -17.934 2.801 1.00 0.00 O ATOM 593 CB ILE A 37 -11.363 -14.757 2.134 1.00 0.00 C ATOM 594 CG1 ILE A 37 -11.397 -13.355 2.749 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.692 -15.466 2.360 1.00 0.00 C ATOM 596 CD1 ILE A 37 -12.178 -12.353 1.926 1.00 0.00 C ATOM 0 H ILE A 37 -8.947 -14.168 1.818 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.329 -15.612 3.812 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.201 -14.663 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.835 -13.415 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.375 -12.995 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.499 -14.871 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.669 -16.444 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.860 -15.591 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.160 -11.382 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.728 -12.264 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.210 -12.690 1.826 1.00 0.00 H new ATOM 608 N PHE A 38 -9.680 -17.144 0.942 1.00 0.00 N ATOM 609 CA PHE A 38 -9.608 -18.443 0.276 1.00 0.00 C ATOM 610 C PHE A 38 -8.736 -19.418 1.069 1.00 0.00 C ATOM 611 O PHE A 38 -9.088 -20.583 1.237 1.00 0.00 O ATOM 612 CB PHE A 38 -9.058 -18.277 -1.145 1.00 0.00 C ATOM 613 CG PHE A 38 -10.046 -18.631 -2.220 1.00 0.00 C ATOM 614 CD1 PHE A 38 -10.536 -19.923 -2.332 1.00 0.00 C ATOM 615 CD2 PHE A 38 -10.485 -17.671 -3.118 1.00 0.00 C ATOM 616 CE1 PHE A 38 -11.445 -20.250 -3.320 1.00 0.00 C ATOM 617 CE2 PHE A 38 -11.394 -17.993 -4.108 1.00 0.00 C ATOM 618 CZ PHE A 38 -11.874 -19.284 -4.209 1.00 0.00 C ATOM 0 H PHE A 38 -9.287 -16.374 0.400 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.616 -18.855 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.739 -17.244 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.172 -18.902 -1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.204 -20.682 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.113 -16.660 -3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.820 -21.260 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.729 -17.236 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.584 -19.538 -4.982 1.00 0.00 H new