USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 6 THR OG1 : rot -88:sc= 0.683 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 1.26 (180deg=0.956) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0356 (180deg=-0.31) USER MOD Single : A 15 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.19! K(o=-1.2!,f=-0.023) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.649) USER MOD Single : A 30 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.0074) USER MOD Single : A 34 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.014) USER MOD Single : A 37 GLN : amide:sc= 0.276 K(o=0.28,f=-0.94) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 47 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -5.207 8.732 -2.298 1.00 0.00 N ATOM 35 CA LEU A 3 -4.963 9.138 -0.921 1.00 0.00 C ATOM 36 C LEU A 3 -3.574 9.744 -0.769 1.00 0.00 C ATOM 37 O LEU A 3 -2.825 9.862 -1.742 1.00 0.00 O ATOM 38 CB LEU A 3 -5.147 7.960 0.038 1.00 0.00 C ATOM 39 CG LEU A 3 -6.587 7.470 0.186 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.665 6.368 1.227 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.508 8.621 0.564 1.00 0.00 C ATOM 0 HA LEU A 3 -5.696 9.902 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.530 7.130 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.774 8.249 1.021 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.914 7.068 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.697 6.029 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.035 5.533 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.319 6.750 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.529 8.252 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.183 9.051 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.473 9.385 -0.213 1.00 0.00 H new ATOM 53 N ARG A 4 -3.249 10.155 0.447 1.00 0.00 N ATOM 54 CA ARG A 4 -1.966 10.775 0.727 1.00 0.00 C ATOM 55 C ARG A 4 -0.924 9.709 1.005 1.00 0.00 C ATOM 56 O ARG A 4 -1.011 8.972 1.990 1.00 0.00 O ATOM 57 CB ARG A 4 -2.077 11.731 1.913 1.00 0.00 C ATOM 58 CG ARG A 4 -3.081 12.847 1.691 1.00 0.00 C ATOM 59 CD ARG A 4 -3.203 13.743 2.910 1.00 0.00 C ATOM 60 NE ARG A 4 -4.295 14.703 2.766 1.00 0.00 N ATOM 61 CZ ARG A 4 -4.996 15.197 3.786 1.00 0.00 C ATOM 62 NH1 ARG A 4 -4.639 14.923 5.036 1.00 0.00 N ATOM 63 NH2 ARG A 4 -6.021 16.005 3.555 1.00 0.00 N ATOM 0 H ARG A 4 -3.861 10.069 1.259 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.659 11.349 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.362 11.166 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.098 12.167 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.778 13.443 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.055 12.419 1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.370 13.131 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.266 14.278 3.064 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.536 15.015 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.827 14.333 5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.177 15.302 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.273 16.248 2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.558 16.383 4.335 1.00 0.00 H new ATOM 77 N TRP A 5 0.059 9.630 0.134 1.00 0.00 N ATOM 78 CA TRP A 5 1.092 8.622 0.250 1.00 0.00 C ATOM 79 C TRP A 5 2.322 9.200 0.920 1.00 0.00 C ATOM 80 O TRP A 5 2.862 10.212 0.475 1.00 0.00 O ATOM 81 CB TRP A 5 1.458 8.055 -1.125 1.00 0.00 C ATOM 82 CG TRP A 5 0.403 7.170 -1.711 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.811 7.546 -2.210 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.479 5.748 -1.865 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.503 6.444 -2.648 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.729 5.328 -2.450 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.449 4.792 -1.554 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.988 3.990 -2.740 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.192 3.466 -1.843 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.020 3.076 -2.427 1.00 0.00 C ATOM 0 H TRP A 5 0.165 10.254 -0.666 1.00 0.00 H new ATOM 0 HA TRP A 5 0.705 7.810 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.648 8.881 -1.810 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.387 7.491 -1.040 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.174 8.562 -2.254 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.439 6.453 -3.054 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.382 5.084 -1.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.919 3.686 -3.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.937 2.718 -1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.194 2.031 -2.635 1.00 0.00 H new ATOM 101 N THR A 6 2.741 8.574 2.004 1.00 0.00 N ATOM 102 CA THR A 6 3.968 8.963 2.668 1.00 0.00 C ATOM 103 C THR A 6 5.154 8.609 1.780 1.00 0.00 C ATOM 104 O THR A 6 5.068 7.685 0.969 1.00 0.00 O ATOM 105 CB THR A 6 4.105 8.276 4.044 1.00 0.00 C ATOM 106 OG1 THR A 6 3.822 6.876 3.928 1.00 0.00 O ATOM 107 CG2 THR A 6 3.164 8.904 5.062 1.00 0.00 C ATOM 0 H THR A 6 2.249 7.795 2.442 1.00 0.00 H new ATOM 0 HA THR A 6 3.945 10.039 2.839 1.00 0.00 H new ATOM 0 HB THR A 6 5.130 8.411 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.860 6.726 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.280 8.402 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.403 9.962 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.135 8.799 4.719 1.00 0.00 H new ATOM 115 N SER A 7 6.248 9.341 1.919 1.00 0.00 N ATOM 116 CA SER A 7 7.408 9.140 1.063 1.00 0.00 C ATOM 117 C SER A 7 7.926 7.706 1.199 1.00 0.00 C ATOM 118 O SER A 7 8.367 7.092 0.218 1.00 0.00 O ATOM 119 CB SER A 7 8.506 10.150 1.415 1.00 0.00 C ATOM 120 OG SER A 7 9.513 10.188 0.416 1.00 0.00 O ATOM 0 H SER A 7 6.358 10.079 2.615 1.00 0.00 H new ATOM 0 HA SER A 7 7.113 9.300 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.068 11.141 1.530 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.952 9.886 2.374 1.00 0.00 H new ATOM 0 HG SER A 7 10.198 10.842 0.667 1.00 0.00 H new ATOM 126 N GLU A 8 7.835 7.165 2.407 1.00 0.00 N ATOM 127 CA GLU A 8 8.253 5.792 2.658 1.00 0.00 C ATOM 128 C GLU A 8 7.293 4.806 2.000 1.00 0.00 C ATOM 129 O GLU A 8 7.710 3.761 1.497 1.00 0.00 O ATOM 130 CB GLU A 8 8.338 5.533 4.159 1.00 0.00 C ATOM 131 CG GLU A 8 9.355 6.415 4.859 1.00 0.00 C ATOM 132 CD GLU A 8 9.367 6.219 6.357 1.00 0.00 C ATOM 133 OE1 GLU A 8 10.033 5.276 6.831 1.00 0.00 O ATOM 134 OE2 GLU A 8 8.722 7.022 7.064 1.00 0.00 O ATOM 0 H GLU A 8 7.476 7.655 3.227 1.00 0.00 H new ATOM 0 HA GLU A 8 9.241 5.647 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.357 5.695 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.596 4.487 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.348 6.203 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.138 7.460 4.636 1.00 0.00 H new ATOM 141 N ALA A 9 6.008 5.148 1.991 1.00 0.00 N ATOM 142 CA ALA A 9 5.001 4.314 1.344 1.00 0.00 C ATOM 143 C ALA A 9 5.211 4.299 -0.164 1.00 0.00 C ATOM 144 O ALA A 9 5.132 3.250 -0.800 1.00 0.00 O ATOM 145 CB ALA A 9 3.600 4.803 1.675 1.00 0.00 C ATOM 0 H ALA A 9 5.640 5.995 2.424 1.00 0.00 H new ATOM 0 HA ALA A 9 5.108 3.298 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.866 4.166 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.447 4.765 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.481 5.829 1.328 1.00 0.00 H new ATOM 151 N LYS A 10 5.479 5.473 -0.725 1.00 0.00 N ATOM 152 CA LYS A 10 5.797 5.599 -2.146 1.00 0.00 C ATOM 153 C LYS A 10 7.010 4.739 -2.503 1.00 0.00 C ATOM 154 O LYS A 10 7.031 4.071 -3.538 1.00 0.00 O ATOM 155 CB LYS A 10 6.065 7.065 -2.490 1.00 0.00 C ATOM 156 CG LYS A 10 4.869 7.974 -2.231 1.00 0.00 C ATOM 157 CD LYS A 10 5.248 9.444 -2.300 1.00 0.00 C ATOM 158 CE LYS A 10 5.700 9.850 -3.692 1.00 0.00 C ATOM 159 NZ LYS A 10 6.188 11.252 -3.718 1.00 0.00 N ATOM 0 H LYS A 10 5.483 6.357 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 10 4.946 5.248 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.914 7.419 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.348 7.139 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.089 7.765 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.451 7.753 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.394 10.053 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.046 9.647 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.493 9.181 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.872 9.739 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.489 11.497 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.423 11.891 -3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.994 11.351 -3.068 1.00 0.00 H new ATOM 173 N THR A 11 8.014 4.753 -1.628 1.00 0.00 N ATOM 174 CA THR A 11 9.203 3.929 -1.812 1.00 0.00 C ATOM 175 C THR A 11 8.833 2.443 -1.812 1.00 0.00 C ATOM 176 O THR A 11 9.252 1.687 -2.691 1.00 0.00 O ATOM 177 CB THR A 11 10.236 4.202 -0.701 1.00 0.00 C ATOM 178 OG1 THR A 11 10.499 5.611 -0.615 1.00 0.00 O ATOM 179 CG2 THR A 11 11.538 3.461 -0.970 1.00 0.00 C ATOM 0 H THR A 11 8.026 5.327 -0.785 1.00 0.00 H new ATOM 0 HA THR A 11 9.643 4.188 -2.775 1.00 0.00 H new ATOM 0 HB THR A 11 9.821 3.845 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.724 6.065 -0.222 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.248 3.672 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.345 2.389 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.954 3.791 -1.922 1.00 0.00 H new ATOM 187 N LYS A 12 8.029 2.044 -0.830 1.00 0.00 N ATOM 188 CA LYS A 12 7.543 0.671 -0.726 1.00 0.00 C ATOM 189 C LYS A 12 6.750 0.267 -1.969 1.00 0.00 C ATOM 190 O LYS A 12 6.908 -0.838 -2.483 1.00 0.00 O ATOM 191 CB LYS A 12 6.660 0.518 0.515 1.00 0.00 C ATOM 192 CG LYS A 12 7.422 0.275 1.806 1.00 0.00 C ATOM 193 CD LYS A 12 7.982 -1.137 1.856 1.00 0.00 C ATOM 194 CE LYS A 12 8.483 -1.489 3.246 1.00 0.00 C ATOM 195 NZ LYS A 12 8.908 -2.911 3.345 1.00 0.00 N ATOM 0 H LYS A 12 7.697 2.660 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 12 8.410 0.016 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.056 1.418 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.970 -0.310 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.236 0.995 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.761 0.437 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.211 -1.846 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.798 -1.231 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.322 -0.842 3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.696 -1.295 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.048 -3.163 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.174 -3.522 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.800 -3.044 2.826 1.00 0.00 H new ATOM 209 N LEU A 13 5.910 1.178 -2.448 1.00 0.00 N ATOM 210 CA LEU A 13 5.054 0.921 -3.605 1.00 0.00 C ATOM 211 C LEU A 13 5.888 0.611 -4.844 1.00 0.00 C ATOM 212 O LEU A 13 5.496 -0.196 -5.689 1.00 0.00 O ATOM 213 CB LEU A 13 4.153 2.131 -3.883 1.00 0.00 C ATOM 214 CG LEU A 13 3.126 1.935 -5.003 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.159 0.814 -4.655 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.365 3.227 -5.265 1.00 0.00 C ATOM 0 H LEU A 13 5.802 2.111 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 13 4.434 0.055 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.622 2.387 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.784 2.983 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 13 3.662 1.659 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.438 0.691 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.713 -0.115 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.632 1.061 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.641 3.067 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.844 3.532 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.065 4.008 -5.561 1.00 0.00 H new ATOM 228 N LYS A 14 7.040 1.258 -4.952 1.00 0.00 N ATOM 229 CA LYS A 14 7.921 1.070 -6.097 1.00 0.00 C ATOM 230 C LYS A 14 8.693 -0.242 -6.007 1.00 0.00 C ATOM 231 O LYS A 14 9.226 -0.730 -7.003 1.00 0.00 O ATOM 232 CB LYS A 14 8.889 2.243 -6.213 1.00 0.00 C ATOM 233 CG LYS A 14 8.204 3.538 -6.595 1.00 0.00 C ATOM 234 CD LYS A 14 9.164 4.710 -6.575 1.00 0.00 C ATOM 235 CE LYS A 14 8.518 5.954 -7.149 1.00 0.00 C ATOM 236 NZ LYS A 14 8.242 5.814 -8.603 1.00 0.00 N ATOM 0 H LYS A 14 7.388 1.920 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 14 7.298 1.026 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.404 2.377 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.650 2.007 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.771 3.440 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.381 3.731 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.486 4.903 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.057 4.462 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.586 6.156 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.171 6.811 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.093 6.755 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.051 5.354 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.389 5.235 -8.740 1.00 0.00 H new ATOM 250 N ASN A 15 8.751 -0.811 -4.814 1.00 0.00 N ATOM 251 CA ASN A 15 9.428 -2.084 -4.615 1.00 0.00 C ATOM 252 C ASN A 15 8.460 -3.244 -4.807 1.00 0.00 C ATOM 253 O ASN A 15 8.859 -4.407 -4.807 1.00 0.00 O ATOM 254 CB ASN A 15 10.088 -2.139 -3.233 1.00 0.00 C ATOM 255 CG ASN A 15 11.403 -1.378 -3.194 1.00 0.00 C ATOM 256 OD1 ASN A 15 12.120 -1.300 -4.194 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.731 -0.810 -2.044 1.00 0.00 N ATOM 0 H ASN A 15 8.339 -0.413 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 15 10.214 -2.174 -5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.407 -1.723 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.264 -3.179 -2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.603 -0.286 -1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.112 -0.896 -1.238 1.00 0.00 H new ATOM 264 N ILE A 16 7.186 -2.918 -4.985 1.00 0.00 N ATOM 265 CA ILE A 16 6.168 -3.918 -5.275 1.00 0.00 C ATOM 266 C ILE A 16 6.173 -4.247 -6.770 1.00 0.00 C ATOM 267 O ILE A 16 6.211 -3.343 -7.605 1.00 0.00 O ATOM 268 CB ILE A 16 4.760 -3.428 -4.856 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.720 -3.168 -3.346 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.690 -4.440 -5.250 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.383 -2.657 -2.855 1.00 0.00 C ATOM 0 H ILE A 16 6.832 -1.963 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 16 6.403 -4.813 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 16 4.551 -2.496 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.962 -4.092 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.493 -2.443 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.711 -4.072 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.703 -4.582 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.890 -5.391 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.428 -2.495 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.148 -1.717 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.608 -3.390 -3.079 1.00 0.00 H new ATOM 283 N PRO A 17 6.169 -5.547 -7.122 1.00 0.00 N ATOM 284 CA PRO A 17 6.151 -6.002 -8.518 1.00 0.00 C ATOM 285 C PRO A 17 4.991 -5.407 -9.314 1.00 0.00 C ATOM 286 O PRO A 17 3.898 -5.203 -8.776 1.00 0.00 O ATOM 287 CB PRO A 17 5.996 -7.528 -8.409 1.00 0.00 C ATOM 288 CG PRO A 17 5.588 -7.786 -6.996 1.00 0.00 C ATOM 289 CD PRO A 17 6.193 -6.680 -6.187 1.00 0.00 C ATOM 0 HA PRO A 17 7.051 -5.691 -9.049 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.246 -7.897 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.931 -8.036 -8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.502 -7.793 -6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.945 -8.759 -6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.615 -6.474 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.207 -6.920 -5.867 1.00 0.00 H new ATOM 297 N PHE A 18 5.235 -5.153 -10.599 1.00 0.00 N ATOM 298 CA PHE A 18 4.249 -4.530 -11.481 1.00 0.00 C ATOM 299 C PHE A 18 2.937 -5.313 -11.501 1.00 0.00 C ATOM 300 O PHE A 18 1.855 -4.724 -11.532 1.00 0.00 O ATOM 301 CB PHE A 18 4.813 -4.417 -12.901 1.00 0.00 C ATOM 302 CG PHE A 18 3.834 -3.867 -13.900 1.00 0.00 C ATOM 303 CD1 PHE A 18 3.621 -2.502 -14.003 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.121 -4.718 -14.729 1.00 0.00 C ATOM 305 CE1 PHE A 18 2.716 -1.995 -14.917 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.216 -4.219 -15.645 1.00 0.00 C ATOM 307 CZ PHE A 18 2.012 -2.855 -15.738 1.00 0.00 C ATOM 0 H PHE A 18 6.119 -5.373 -11.057 1.00 0.00 H new ATOM 0 HA PHE A 18 4.037 -3.534 -11.093 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.696 -3.778 -12.882 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.140 -5.403 -13.232 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.168 -1.826 -13.362 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.275 -5.785 -14.658 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.560 -0.929 -14.989 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.669 -4.893 -16.287 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.303 -2.462 -16.452 1.00 0.00 H new ATOM 317 N PHE A 19 3.042 -6.635 -11.466 1.00 0.00 N ATOM 318 CA PHE A 19 1.872 -7.507 -11.494 1.00 0.00 C ATOM 319 C PHE A 19 0.925 -7.198 -10.330 1.00 0.00 C ATOM 320 O PHE A 19 -0.296 -7.304 -10.461 1.00 0.00 O ATOM 321 CB PHE A 19 2.318 -8.974 -11.451 1.00 0.00 C ATOM 322 CG PHE A 19 1.181 -9.956 -11.414 1.00 0.00 C ATOM 323 CD1 PHE A 19 0.470 -10.262 -12.565 1.00 0.00 C ATOM 324 CD2 PHE A 19 0.823 -10.576 -10.226 1.00 0.00 C ATOM 325 CE1 PHE A 19 -0.575 -11.168 -12.530 1.00 0.00 C ATOM 326 CE2 PHE A 19 -0.221 -11.480 -10.185 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.922 -11.775 -11.338 1.00 0.00 C ATOM 0 H PHE A 19 3.932 -7.131 -11.418 1.00 0.00 H new ATOM 0 HA PHE A 19 1.327 -7.326 -12.421 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.936 -9.181 -12.325 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.946 -9.127 -10.573 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.735 -9.788 -13.499 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.367 -10.349 -9.321 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.119 -11.401 -13.433 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.489 -11.955 -9.253 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.740 -12.479 -11.308 1.00 0.00 H new ATOM 337 N ALA A 20 1.491 -6.783 -9.204 1.00 0.00 N ATOM 338 CA ALA A 20 0.703 -6.513 -8.013 1.00 0.00 C ATOM 339 C ALA A 20 0.564 -5.015 -7.756 1.00 0.00 C ATOM 340 O ALA A 20 -0.127 -4.614 -6.833 1.00 0.00 O ATOM 341 CB ALA A 20 1.327 -7.203 -6.810 1.00 0.00 C ATOM 0 H ALA A 20 2.493 -6.627 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.299 -6.911 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.730 -6.996 -5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.358 -8.279 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.340 -6.830 -6.662 1.00 0.00 H new ATOM 347 N ARG A 21 1.208 -4.203 -8.586 1.00 0.00 N ATOM 348 CA ARG A 21 1.217 -2.745 -8.407 1.00 0.00 C ATOM 349 C ARG A 21 -0.190 -2.164 -8.288 1.00 0.00 C ATOM 350 O ARG A 21 -0.529 -1.542 -7.280 1.00 0.00 O ATOM 351 CB ARG A 21 1.956 -2.078 -9.565 1.00 0.00 C ATOM 352 CG ARG A 21 3.458 -1.972 -9.357 1.00 0.00 C ATOM 353 CD ARG A 21 3.822 -0.764 -8.505 1.00 0.00 C ATOM 354 NE ARG A 21 3.546 0.494 -9.204 1.00 0.00 N ATOM 355 CZ ARG A 21 4.066 1.672 -8.860 1.00 0.00 C ATOM 356 NH1 ARG A 21 4.884 1.766 -7.819 1.00 0.00 N ATOM 357 NH2 ARG A 21 3.772 2.759 -9.563 1.00 0.00 N ATOM 0 H ARG A 21 1.736 -4.527 -9.397 1.00 0.00 H new ATOM 0 HA ARG A 21 1.735 -2.540 -7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.764 -2.641 -10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.548 -1.078 -9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.824 -2.880 -8.878 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.956 -1.899 -10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.259 -0.793 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.879 -0.810 -8.241 1.00 0.00 H new ATOM 0 HE ARG A 21 2.915 0.466 -10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.118 0.934 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.279 2.670 -7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.148 2.693 -10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.170 3.660 -9.299 1.00 0.00 H new ATOM 371 N SER A 22 -1.007 -2.376 -9.313 1.00 0.00 N ATOM 372 CA SER A 22 -2.345 -1.802 -9.351 1.00 0.00 C ATOM 373 C SER A 22 -3.232 -2.428 -8.275 1.00 0.00 C ATOM 374 O SER A 22 -4.046 -1.744 -7.644 1.00 0.00 O ATOM 375 CB SER A 22 -2.958 -2.011 -10.739 1.00 0.00 C ATOM 376 OG SER A 22 -4.128 -1.233 -10.915 1.00 0.00 O ATOM 0 H SER A 22 -0.766 -2.941 -10.128 1.00 0.00 H new ATOM 0 HA SER A 22 -2.275 -0.733 -9.151 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.227 -1.748 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.197 -3.065 -10.877 1.00 0.00 H new ATOM 0 HG SER A 22 -4.493 -1.389 -11.811 1.00 0.00 H new ATOM 382 N GLN A 23 -3.053 -3.724 -8.059 1.00 0.00 N ATOM 383 CA GLN A 23 -3.837 -4.456 -7.074 1.00 0.00 C ATOM 384 C GLN A 23 -3.505 -3.986 -5.661 1.00 0.00 C ATOM 385 O GLN A 23 -4.395 -3.766 -4.838 1.00 0.00 O ATOM 386 CB GLN A 23 -3.569 -5.959 -7.203 1.00 0.00 C ATOM 387 CG GLN A 23 -4.393 -6.811 -6.249 1.00 0.00 C ATOM 388 CD GLN A 23 -4.026 -8.282 -6.296 1.00 0.00 C ATOM 389 OE1 GLN A 23 -4.867 -9.151 -6.068 1.00 0.00 O ATOM 390 NE2 GLN A 23 -2.763 -8.577 -6.574 1.00 0.00 N ATOM 0 H GLN A 23 -2.367 -4.293 -8.556 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.893 -4.263 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.778 -6.270 -8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.511 -6.147 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.258 -6.441 -5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.450 -6.698 -6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.093 -7.830 -6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.461 -9.551 -6.604 1.00 0.00 H new ATOM 399 N ALA A 24 -2.216 -3.821 -5.392 1.00 0.00 N ATOM 400 CA ALA A 24 -1.758 -3.416 -4.077 1.00 0.00 C ATOM 401 C ALA A 24 -2.212 -2.007 -3.755 1.00 0.00 C ATOM 402 O ALA A 24 -2.825 -1.788 -2.718 1.00 0.00 O ATOM 403 CB ALA A 24 -0.244 -3.525 -3.972 1.00 0.00 C ATOM 0 H ALA A 24 -1.470 -3.963 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.201 -4.093 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.075 -3.216 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.059 -4.557 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.220 -2.880 -4.718 1.00 0.00 H new ATOM 409 N LYS A 25 -1.935 -1.064 -4.655 1.00 0.00 N ATOM 410 CA LYS A 25 -2.291 0.334 -4.433 1.00 0.00 C ATOM 411 C LYS A 25 -3.763 0.466 -4.072 1.00 0.00 C ATOM 412 O LYS A 25 -4.114 1.169 -3.124 1.00 0.00 O ATOM 413 CB LYS A 25 -1.981 1.171 -5.675 1.00 0.00 C ATOM 414 CG LYS A 25 -2.416 2.618 -5.543 1.00 0.00 C ATOM 415 CD LYS A 25 -2.024 3.435 -6.757 1.00 0.00 C ATOM 416 CE LYS A 25 -2.510 4.871 -6.634 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.990 4.947 -6.499 1.00 0.00 N ATOM 0 H LYS A 25 -1.466 -1.244 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.694 0.705 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.909 1.137 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.477 0.726 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.497 2.662 -5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.966 3.053 -4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.940 3.424 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.444 2.982 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.042 5.340 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.196 5.437 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.315 5.897 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.432 4.239 -7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.259 4.758 -5.512 1.00 0.00 H new ATOM 431 N ALA A 26 -4.612 -0.235 -4.817 1.00 0.00 N ATOM 432 CA ALA A 26 -6.042 -0.225 -4.557 1.00 0.00 C ATOM 433 C ALA A 26 -6.333 -0.644 -3.120 1.00 0.00 C ATOM 434 O ALA A 26 -7.027 0.066 -2.388 1.00 0.00 O ATOM 435 CB ALA A 26 -6.760 -1.146 -5.532 1.00 0.00 C ATOM 0 H ALA A 26 -4.331 -0.817 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.410 0.791 -4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.830 -1.130 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.581 -0.807 -6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.384 -2.163 -5.416 1.00 0.00 H new ATOM 441 N ARG A 27 -5.768 -1.776 -2.713 1.00 0.00 N ATOM 442 CA ARG A 27 -6.015 -2.320 -1.384 1.00 0.00 C ATOM 443 C ARG A 27 -5.380 -1.455 -0.303 1.00 0.00 C ATOM 444 O ARG A 27 -5.971 -1.258 0.751 1.00 0.00 O ATOM 445 CB ARG A 27 -5.493 -3.752 -1.275 1.00 0.00 C ATOM 446 CG ARG A 27 -5.843 -4.411 0.050 1.00 0.00 C ATOM 447 CD ARG A 27 -5.338 -5.838 0.121 1.00 0.00 C ATOM 448 NE ARG A 27 -5.648 -6.454 1.407 1.00 0.00 N ATOM 449 CZ ARG A 27 -5.341 -7.705 1.732 1.00 0.00 C ATOM 450 NH1 ARG A 27 -4.795 -8.515 0.833 1.00 0.00 N ATOM 451 NH2 ARG A 27 -5.618 -8.157 2.948 1.00 0.00 N ATOM 0 H ARG A 27 -5.135 -2.335 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.094 -2.325 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.905 -4.346 -2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.410 -3.749 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.414 -3.833 0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.924 -4.401 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.787 -6.424 -0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.260 -5.851 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.132 -5.886 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.610 -8.178 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.561 -9.475 1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.065 -7.545 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.384 -9.117 3.201 1.00 0.00 H new ATOM 465 N ILE A 28 -4.186 -0.937 -0.569 1.00 0.00 N ATOM 466 CA ILE A 28 -3.473 -0.103 0.397 1.00 0.00 C ATOM 467 C ILE A 28 -4.322 1.100 0.793 1.00 0.00 C ATOM 468 O ILE A 28 -4.486 1.398 1.977 1.00 0.00 O ATOM 469 CB ILE A 28 -2.121 0.395 -0.161 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.196 -0.787 -0.442 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.463 1.366 0.813 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.060 -0.411 -1.199 1.00 0.00 C ATOM 0 H ILE A 28 -3.689 -1.079 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.278 -0.724 1.272 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.307 0.922 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.915 -1.249 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.743 -1.537 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.512 1.705 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.117 2.224 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.288 0.864 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.667 -1.302 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.211 0.024 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.630 0.316 -0.620 1.00 0.00 H new ATOM 484 N GLU A 29 -4.877 1.776 -0.202 1.00 0.00 N ATOM 485 CA GLU A 29 -5.702 2.947 0.043 1.00 0.00 C ATOM 486 C GLU A 29 -7.028 2.551 0.700 1.00 0.00 C ATOM 487 O GLU A 29 -7.630 3.337 1.428 1.00 0.00 O ATOM 488 CB GLU A 29 -5.925 3.722 -1.261 1.00 0.00 C ATOM 489 CG GLU A 29 -4.622 4.215 -1.880 1.00 0.00 C ATOM 490 CD GLU A 29 -4.819 4.993 -3.165 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.162 4.373 -4.194 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.598 6.224 -3.163 1.00 0.00 O ATOM 0 H GLU A 29 -4.770 1.533 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.180 3.605 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.443 3.082 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.576 4.574 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.102 4.846 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.977 3.359 -2.078 1.00 0.00 H new ATOM 499 N GLN A 30 -7.470 1.317 0.468 1.00 0.00 N ATOM 500 CA GLN A 30 -8.644 0.791 1.161 1.00 0.00 C ATOM 501 C GLN A 30 -8.297 0.498 2.619 1.00 0.00 C ATOM 502 O GLN A 30 -9.102 0.723 3.521 1.00 0.00 O ATOM 503 CB GLN A 30 -9.163 -0.482 0.491 1.00 0.00 C ATOM 504 CG GLN A 30 -9.616 -0.287 -0.945 1.00 0.00 C ATOM 505 CD GLN A 30 -10.128 -1.569 -1.573 1.00 0.00 C ATOM 506 OE1 GLN A 30 -10.964 -1.543 -2.477 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.645 -2.704 -1.087 1.00 0.00 N ATOM 0 H GLN A 30 -7.037 0.667 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.429 1.546 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.378 -1.237 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.997 -0.872 1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.402 0.467 -0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.784 0.096 -1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.953 -2.684 -0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.965 -3.597 -1.462 1.00 0.00 H new ATOM 516 N LEU A 31 -7.088 -0.002 2.838 1.00 0.00 N ATOM 517 CA LEU A 31 -6.590 -0.269 4.179 1.00 0.00 C ATOM 518 C LEU A 31 -6.502 1.025 4.981 1.00 0.00 C ATOM 519 O LEU A 31 -6.660 1.021 6.201 1.00 0.00 O ATOM 520 CB LEU A 31 -5.214 -0.942 4.116 1.00 0.00 C ATOM 521 CG LEU A 31 -5.202 -2.363 3.543 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.778 -2.808 3.239 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.867 -3.330 4.513 1.00 0.00 C ATOM 0 H LEU A 31 -6.429 -0.233 2.095 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.287 -0.944 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.552 -0.320 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.796 -0.971 5.122 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.766 -2.363 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.792 -3.820 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.333 -2.131 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.189 -2.793 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.851 -4.336 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.327 -3.324 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.899 -3.024 4.682 1.00 0.00 H new ATOM 535 N ALA A 32 -6.242 2.129 4.287 1.00 0.00 N ATOM 536 CA ALA A 32 -6.217 3.441 4.920 1.00 0.00 C ATOM 537 C ALA A 32 -7.624 3.870 5.308 1.00 0.00 C ATOM 538 O ALA A 32 -7.830 4.483 6.353 1.00 0.00 O ATOM 539 CB ALA A 32 -5.579 4.469 4.003 1.00 0.00 C ATOM 0 H ALA A 32 -6.046 2.140 3.286 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.614 3.373 5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.571 5.441 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.556 4.169 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.151 4.536 3.078 1.00 0.00 H new ATOM 545 N ARG A 33 -8.596 3.534 4.467 1.00 0.00 N ATOM 546 CA ARG A 33 -9.999 3.780 4.786 1.00 0.00 C ATOM 547 C ARG A 33 -10.400 2.940 5.992 1.00 0.00 C ATOM 548 O ARG A 33 -11.169 3.372 6.847 1.00 0.00 O ATOM 549 CB ARG A 33 -10.900 3.423 3.602 1.00 0.00 C ATOM 550 CG ARG A 33 -10.477 4.048 2.283 1.00 0.00 C ATOM 551 CD ARG A 33 -11.378 3.589 1.150 1.00 0.00 C ATOM 552 NE ARG A 33 -10.824 3.900 -0.167 1.00 0.00 N ATOM 553 CZ ARG A 33 -11.571 4.199 -1.227 1.00 0.00 C ATOM 554 NH1 ARG A 33 -12.886 4.319 -1.098 1.00 0.00 N ATOM 555 NH2 ARG A 33 -11.000 4.386 -2.411 1.00 0.00 N ATOM 0 H ARG A 33 -8.440 3.092 3.561 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.120 4.840 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.918 2.339 3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.919 3.736 3.829 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.512 5.134 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.444 3.778 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.537 2.514 1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.354 4.063 1.251 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.810 3.887 -0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.324 4.182 -0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.459 4.548 -1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.988 4.300 -2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.573 4.615 -3.223 1.00 0.00 H new ATOM 569 N GLN A 34 -9.858 1.731 6.045 1.00 0.00 N ATOM 570 CA GLN A 34 -10.093 0.822 7.157 1.00 0.00 C ATOM 571 C GLN A 34 -9.477 1.381 8.439 1.00 0.00 C ATOM 572 O GLN A 34 -10.033 1.237 9.525 1.00 0.00 O ATOM 573 CB GLN A 34 -9.500 -0.550 6.824 1.00 0.00 C ATOM 574 CG GLN A 34 -9.912 -1.661 7.775 1.00 0.00 C ATOM 575 CD GLN A 34 -9.322 -3.007 7.386 1.00 0.00 C ATOM 576 OE1 GLN A 34 -9.088 -3.864 8.236 1.00 0.00 O ATOM 577 NE2 GLN A 34 -9.068 -3.199 6.098 1.00 0.00 N ATOM 0 H GLN A 34 -9.246 1.354 5.321 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.166 0.716 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.799 -0.825 5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.413 -0.472 6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.594 -1.407 8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.999 -1.736 7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.276 -2.464 5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.665 -4.082 5.784 1.00 0.00 H new ATOM 586 N ALA A 35 -8.333 2.036 8.293 1.00 0.00 N ATOM 587 CA ALA A 35 -7.663 2.678 9.416 1.00 0.00 C ATOM 588 C ALA A 35 -8.237 4.071 9.665 1.00 0.00 C ATOM 589 O ALA A 35 -7.855 4.749 10.618 1.00 0.00 O ATOM 590 CB ALA A 35 -6.166 2.755 9.166 1.00 0.00 C ATOM 0 H ALA A 35 -7.847 2.137 7.402 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.835 2.075 10.308 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.680 3.237 10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.766 1.749 9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.977 3.334 8.262 1.00 0.00 H new ATOM 596 N GLU A 36 -9.145 4.483 8.782 1.00 0.00 N ATOM 597 CA GLU A 36 -9.851 5.757 8.897 1.00 0.00 C ATOM 598 C GLU A 36 -8.890 6.942 8.874 1.00 0.00 C ATOM 599 O GLU A 36 -8.850 7.748 9.805 1.00 0.00 O ATOM 600 CB GLU A 36 -10.704 5.785 10.166 1.00 0.00 C ATOM 601 CG GLU A 36 -11.784 4.719 10.180 1.00 0.00 C ATOM 602 CD GLU A 36 -12.639 4.779 11.422 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.553 5.629 11.479 1.00 0.00 O ATOM 604 OE2 GLU A 36 -12.403 3.977 12.349 1.00 0.00 O ATOM 0 H GLU A 36 -9.413 3.939 7.962 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.505 5.848 8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.058 5.651 11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.169 6.766 10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.417 4.837 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.320 3.735 10.109 1.00 0.00 H new ATOM 611 N GLN A 37 -8.114 7.042 7.805 1.00 0.00 N ATOM 612 CA GLN A 37 -7.198 8.158 7.631 1.00 0.00 C ATOM 613 C GLN A 37 -6.934 8.408 6.150 1.00 0.00 C ATOM 614 O GLN A 37 -7.091 7.509 5.323 1.00 0.00 O ATOM 615 CB GLN A 37 -5.888 7.898 8.383 1.00 0.00 C ATOM 616 CG GLN A 37 -5.160 6.634 7.957 1.00 0.00 C ATOM 617 CD GLN A 37 -3.968 6.337 8.846 1.00 0.00 C ATOM 618 OE1 GLN A 37 -3.968 6.661 10.035 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.930 5.750 8.278 1.00 0.00 N ATOM 0 H GLN A 37 -8.101 6.363 7.044 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.659 9.053 8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.225 8.751 8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.102 7.838 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.851 5.791 7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.825 6.739 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.965 5.496 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.093 5.551 8.827 1.00 0.00 H new ATOM 628 N ASP A 38 -6.535 9.635 5.825 1.00 0.00 N ATOM 629 CA ASP A 38 -6.298 10.036 4.439 1.00 0.00 C ATOM 630 C ASP A 38 -4.898 9.630 4.010 1.00 0.00 C ATOM 631 O ASP A 38 -4.552 9.680 2.830 1.00 0.00 O ATOM 632 CB ASP A 38 -6.431 11.559 4.278 1.00 0.00 C ATOM 633 CG ASP A 38 -7.802 12.100 4.644 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.105 12.197 5.856 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.566 12.471 3.727 1.00 0.00 O ATOM 0 H ASP A 38 -6.368 10.374 6.508 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.043 9.539 3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.681 12.047 4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.210 11.826 3.244 1.00 0.00 H new ATOM 640 N ILE A 39 -4.094 9.234 4.982 1.00 0.00 N ATOM 641 CA ILE A 39 -2.689 8.946 4.754 1.00 0.00 C ATOM 642 C ILE A 39 -2.437 7.446 4.761 1.00 0.00 C ATOM 643 O ILE A 39 -2.996 6.718 5.579 1.00 0.00 O ATOM 644 CB ILE A 39 -1.812 9.602 5.843 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.140 11.089 5.972 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.339 9.414 5.518 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.459 11.753 7.149 1.00 0.00 C ATOM 0 H ILE A 39 -4.396 9.104 5.948 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.426 9.355 3.778 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.025 9.117 6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.845 11.600 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.219 11.209 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.267 9.881 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.110 8.349 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.117 9.876 4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.735 12.807 7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.773 11.267 8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.378 11.664 7.041 1.00 0.00 H new ATOM 659 N VAL A 40 -1.603 6.984 3.844 1.00 0.00 N ATOM 660 CA VAL A 40 -1.177 5.601 3.854 1.00 0.00 C ATOM 661 C VAL A 40 0.255 5.515 4.372 1.00 0.00 C ATOM 662 O VAL A 40 1.117 6.321 4.003 1.00 0.00 O ATOM 663 CB VAL A 40 -1.271 4.937 2.458 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.663 5.107 1.873 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.228 5.492 1.508 1.00 0.00 C ATOM 0 H VAL A 40 -1.211 7.546 3.088 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.853 5.056 4.513 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.074 3.873 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.706 4.633 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.395 4.641 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.888 6.169 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.323 5.004 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.378 6.565 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.767 5.307 1.912 1.00 0.00 H new ATOM 675 N THR A 41 0.498 4.573 5.257 1.00 0.00 N ATOM 676 CA THR A 41 1.824 4.368 5.791 1.00 0.00 C ATOM 677 C THR A 41 2.491 3.184 5.107 1.00 0.00 C ATOM 678 O THR A 41 1.810 2.305 4.572 1.00 0.00 O ATOM 679 CB THR A 41 1.765 4.142 7.310 1.00 0.00 C ATOM 680 OG1 THR A 41 0.661 3.283 7.625 1.00 0.00 O ATOM 681 CG2 THR A 41 1.619 5.462 8.050 1.00 0.00 C ATOM 0 H THR A 41 -0.209 3.935 5.622 1.00 0.00 H new ATOM 0 HA THR A 41 2.416 5.263 5.598 1.00 0.00 H new ATOM 0 HB THR A 41 2.697 3.673 7.627 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.625 3.138 8.594 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.580 5.275 9.123 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.472 6.102 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.701 5.957 7.734 1.00 0.00 H new ATOM 689 N PRO A 42 3.831 3.145 5.099 1.00 0.00 N ATOM 690 CA PRO A 42 4.580 2.049 4.491 1.00 0.00 C ATOM 691 C PRO A 42 4.200 0.695 5.081 1.00 0.00 C ATOM 692 O PRO A 42 4.347 -0.334 4.426 1.00 0.00 O ATOM 693 CB PRO A 42 6.047 2.376 4.792 1.00 0.00 C ATOM 694 CG PRO A 42 6.017 3.436 5.843 1.00 0.00 C ATOM 695 CD PRO A 42 4.720 4.170 5.666 1.00 0.00 C ATOM 0 HA PRO A 42 4.372 1.968 3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.581 1.493 5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.562 2.726 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.083 2.998 6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.864 4.113 5.736 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.341 4.553 6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.828 5.024 4.998 1.00 0.00 H new ATOM 703 N GLU A 43 3.707 0.701 6.320 1.00 0.00 N ATOM 704 CA GLU A 43 3.216 -0.520 6.953 1.00 0.00 C ATOM 705 C GLU A 43 2.086 -1.130 6.133 1.00 0.00 C ATOM 706 O GLU A 43 2.082 -2.324 5.862 1.00 0.00 O ATOM 707 CB GLU A 43 2.710 -0.260 8.376 1.00 0.00 C ATOM 708 CG GLU A 43 3.758 0.288 9.330 1.00 0.00 C ATOM 709 CD GLU A 43 4.012 1.766 9.132 1.00 0.00 C ATOM 710 OE1 GLU A 43 3.201 2.576 9.625 1.00 0.00 O ATOM 711 OE2 GLU A 43 5.018 2.120 8.488 1.00 0.00 O ATOM 0 H GLU A 43 3.638 1.536 6.902 1.00 0.00 H new ATOM 0 HA GLU A 43 4.057 -1.212 7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.878 0.442 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.318 -1.192 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.436 0.113 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.691 -0.259 9.191 1.00 0.00 H new ATOM 718 N LEU A 44 1.137 -0.294 5.727 1.00 0.00 N ATOM 719 CA LEU A 44 -0.010 -0.752 4.949 1.00 0.00 C ATOM 720 C LEU A 44 0.424 -1.203 3.561 1.00 0.00 C ATOM 721 O LEU A 44 -0.123 -2.160 3.013 1.00 0.00 O ATOM 722 CB LEU A 44 -1.070 0.348 4.840 1.00 0.00 C ATOM 723 CG LEU A 44 -2.042 0.453 6.026 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.311 0.799 7.314 1.00 0.00 C ATOM 725 CD2 LEU A 44 -3.116 1.486 5.742 1.00 0.00 C ATOM 0 H LEU A 44 1.139 0.707 5.924 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.448 -1.604 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.563 1.306 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.649 0.181 3.932 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.512 -0.522 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.028 0.866 8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.578 0.024 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.803 1.756 7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.796 1.547 6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.651 2.458 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.674 1.196 4.852 1.00 0.00 H new ATOM 737 N VAL A 45 1.413 -0.514 3.002 1.00 0.00 N ATOM 738 CA VAL A 45 1.976 -0.903 1.716 1.00 0.00 C ATOM 739 C VAL A 45 2.646 -2.267 1.836 1.00 0.00 C ATOM 740 O VAL A 45 2.467 -3.141 0.987 1.00 0.00 O ATOM 741 CB VAL A 45 3.000 0.128 1.203 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.457 -0.223 -0.202 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.410 1.526 1.237 1.00 0.00 C ATOM 0 H VAL A 45 1.840 0.314 3.418 1.00 0.00 H new ATOM 0 HA VAL A 45 1.157 -0.950 0.998 1.00 0.00 H new ATOM 0 HB VAL A 45 3.869 0.104 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.180 0.517 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.922 -1.209 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.598 -0.230 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.147 2.241 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.524 1.562 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.135 1.780 2.261 1.00 0.00 H new ATOM 753 N GLU A 46 3.406 -2.440 2.912 1.00 0.00 N ATOM 754 CA GLU A 46 4.044 -3.710 3.218 1.00 0.00 C ATOM 755 C GLU A 46 2.988 -4.793 3.416 1.00 0.00 C ATOM 756 O GLU A 46 3.060 -5.856 2.804 1.00 0.00 O ATOM 757 CB GLU A 46 4.906 -3.571 4.480 1.00 0.00 C ATOM 758 CG GLU A 46 5.596 -4.858 4.912 1.00 0.00 C ATOM 759 CD GLU A 46 6.737 -5.266 4.001 1.00 0.00 C ATOM 760 OE1 GLU A 46 6.901 -4.661 2.918 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.496 -6.185 4.378 1.00 0.00 O ATOM 0 H GLU A 46 3.595 -1.705 3.593 1.00 0.00 H new ATOM 0 HA GLU A 46 4.684 -3.996 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.664 -2.807 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.278 -3.217 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.977 -4.734 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.861 -5.662 4.944 1.00 0.00 H new ATOM 768 N GLN A 47 1.996 -4.497 4.256 1.00 0.00 N ATOM 769 CA GLN A 47 0.924 -5.434 4.559 1.00 0.00 C ATOM 770 C GLN A 47 0.280 -5.967 3.293 1.00 0.00 C ATOM 771 O GLN A 47 0.207 -7.176 3.097 1.00 0.00 O ATOM 772 CB GLN A 47 -0.138 -4.774 5.439 1.00 0.00 C ATOM 773 CG GLN A 47 0.286 -4.613 6.885 1.00 0.00 C ATOM 774 CD GLN A 47 0.578 -5.940 7.555 1.00 0.00 C ATOM 775 OE1 GLN A 47 1.414 -6.026 8.452 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.111 -6.989 7.129 1.00 0.00 N ATOM 0 H GLN A 47 1.917 -3.604 4.742 1.00 0.00 H new ATOM 0 HA GLN A 47 1.366 -6.271 5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.380 -3.793 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.050 -5.369 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.174 -3.983 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.500 -4.097 7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.797 -6.879 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.045 -7.906 7.548 1.00 0.00 H new ATOM 785 N ALA A 48 -0.172 -5.060 2.432 1.00 0.00 N ATOM 786 CA ALA A 48 -0.800 -5.455 1.180 1.00 0.00 C ATOM 787 C ALA A 48 0.151 -6.308 0.348 1.00 0.00 C ATOM 788 O ALA A 48 -0.258 -7.290 -0.275 1.00 0.00 O ATOM 789 CB ALA A 48 -1.237 -4.230 0.395 1.00 0.00 C ATOM 0 H ALA A 48 -0.115 -4.052 2.579 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.683 -6.051 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.705 -4.544 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.952 -3.656 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.368 -3.610 0.175 1.00 0.00 H new ATOM 795 N ARG A 49 1.430 -5.948 0.388 1.00 0.00 N ATOM 796 CA ARG A 49 2.454 -6.637 -0.379 1.00 0.00 C ATOM 797 C ARG A 49 2.625 -8.066 0.122 1.00 0.00 C ATOM 798 O ARG A 49 2.633 -9.018 -0.661 1.00 0.00 O ATOM 799 CB ARG A 49 3.769 -5.870 -0.267 1.00 0.00 C ATOM 800 CG ARG A 49 4.943 -6.544 -0.943 1.00 0.00 C ATOM 801 CD ARG A 49 6.227 -5.789 -0.654 1.00 0.00 C ATOM 802 NE ARG A 49 7.410 -6.586 -0.965 1.00 0.00 N ATOM 803 CZ ARG A 49 8.219 -7.103 -0.042 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.044 -6.808 1.242 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.220 -7.891 -0.405 1.00 0.00 N ATOM 0 H ARG A 49 1.782 -5.174 0.951 1.00 0.00 H new ATOM 0 HA ARG A 49 2.151 -6.681 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.636 -4.879 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.005 -5.728 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.032 -7.572 -0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.774 -6.588 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.246 -4.869 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.250 -5.501 0.397 1.00 0.00 H new ATOM 0 HE ARG A 49 7.630 -6.757 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.288 -6.184 1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.666 -7.206 1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.371 -8.102 -1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.840 -8.287 0.302 1.00 0.00 H new ATOM 819 N LEU A 50 2.729 -8.214 1.435 1.00 0.00 N ATOM 820 CA LEU A 50 2.942 -9.521 2.041 1.00 0.00 C ATOM 821 C LEU A 50 1.695 -10.384 1.959 1.00 0.00 C ATOM 822 O LEU A 50 1.795 -11.601 1.829 1.00 0.00 O ATOM 823 CB LEU A 50 3.392 -9.383 3.493 1.00 0.00 C ATOM 824 CG LEU A 50 4.843 -9.787 3.739 1.00 0.00 C ATOM 825 CD1 LEU A 50 5.042 -11.254 3.391 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.781 -8.923 2.914 1.00 0.00 C ATOM 0 H LEU A 50 2.669 -7.444 2.102 1.00 0.00 H new ATOM 0 HA LEU A 50 3.733 -10.014 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.257 -8.348 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.745 -9.994 4.122 1.00 0.00 H new ATOM 0 HG LEU A 50 5.072 -9.639 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.080 -11.533 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.389 -11.867 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.799 -11.415 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.812 -9.224 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.553 -9.047 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.652 -7.877 3.193 1.00 0.00 H new ATOM 838 N GLU A 51 0.528 -9.756 2.036 1.00 0.00 N ATOM 839 CA GLU A 51 -0.736 -10.463 1.873 1.00 0.00 C ATOM 840 C GLU A 51 -0.744 -11.239 0.560 1.00 0.00 C ATOM 841 O GLU A 51 -1.031 -12.437 0.532 1.00 0.00 O ATOM 842 CB GLU A 51 -1.907 -9.478 1.903 1.00 0.00 C ATOM 843 CG GLU A 51 -2.239 -8.956 3.292 1.00 0.00 C ATOM 844 CD GLU A 51 -2.924 -9.995 4.151 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.155 -10.154 4.016 1.00 0.00 O ATOM 846 OE2 GLU A 51 -2.241 -10.655 4.961 1.00 0.00 O ATOM 0 H GLU A 51 0.431 -8.756 2.211 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.846 -11.165 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.675 -8.633 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.789 -9.965 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.322 -8.630 3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.882 -8.080 3.204 1.00 0.00 H new ATOM 853 N PHE A 52 -0.383 -10.560 -0.521 1.00 0.00 N ATOM 854 CA PHE A 52 -0.371 -11.188 -1.835 1.00 0.00 C ATOM 855 C PHE A 52 0.793 -12.163 -1.948 1.00 0.00 C ATOM 856 O PHE A 52 0.690 -13.186 -2.622 1.00 0.00 O ATOM 857 CB PHE A 52 -0.297 -10.137 -2.945 1.00 0.00 C ATOM 858 CG PHE A 52 -1.433 -9.154 -2.919 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.736 -9.583 -2.708 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.198 -7.800 -3.088 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.780 -8.680 -2.670 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.239 -6.893 -3.048 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.531 -7.332 -2.837 1.00 0.00 C ATOM 0 H PHE A 52 -0.096 -9.581 -0.514 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.303 -11.741 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.644 -9.594 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.286 -10.641 -3.911 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.936 -10.636 -2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.190 -7.449 -3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.790 -9.028 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.042 -5.840 -3.182 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.345 -6.623 -2.803 1.00 0.00 H new