USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 GLY N :NH3+ -146:sc= -0.545 (180deg=-2.18!) USER MOD Single : A 6 SER OG : rot -27:sc= 0.506 USER MOD Single : A 8 GLN : amide:sc= -1.01 K(o=-1,f=-0.26) USER MOD Single : A 13 SER OG : rot 175:sc= 0.282 USER MOD Single : A 14 GLN : amide:sc= -4.36! K(o=-4.4!,f=-0.46) USER MOD Single : A 18 THR OG1 : rot -82:sc= 0.574 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= -1.19! (180deg=-1.21!) USER MOD Single : A 22 GLN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 24 GLN : amide:sc= 0.0287 X(o=0.029,f=0) USER MOD Single : A 26 ASN : amide:sc=-0.00662 K(o=-0.0066,f=-0.75) USER MOD Single : A 27 MET CE :methyl 164:sc= -0.754 (180deg=-1.13) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0302 (180deg=-0.224) USER MOD Single : A 36 SER OG : rot 44:sc= 0.443 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.047 (180deg=-0.254) USER MOD Single : A 42 SER OG : rot 49:sc= 1.22 USER MOD Single : A 45 GLN : amide:sc= -10.5! C(o=-10!,f=-3.2!) USER MOD Single : A 48 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.687 13.973 11.601 1.00 0.00 N ATOM 2 CA GLY A 1 -9.156 12.810 12.402 1.00 0.00 C ATOM 3 C GLY A 1 -8.049 11.811 12.680 1.00 0.00 C ATOM 4 O GLY A 1 -6.868 12.153 12.626 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.201 14.828 11.896 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.668 14.111 11.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.864 13.794 10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.566 13.166 13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.967 12.311 11.871 1.00 0.00 H new ATOM 10 N ARG A 2 -8.433 10.575 12.980 1.00 0.00 N ATOM 11 CA ARG A 2 -7.465 9.524 13.270 1.00 0.00 C ATOM 12 C ARG A 2 -7.907 8.196 12.664 1.00 0.00 C ATOM 13 O ARG A 2 -7.725 7.134 13.262 1.00 0.00 O ATOM 14 CB ARG A 2 -7.281 9.379 14.782 1.00 0.00 C ATOM 15 CG ARG A 2 -8.561 9.029 15.522 1.00 0.00 C ATOM 16 CD ARG A 2 -8.394 9.179 17.025 1.00 0.00 C ATOM 17 NE ARG A 2 -8.192 10.573 17.415 1.00 0.00 N ATOM 18 CZ ARG A 2 -7.617 10.947 18.554 1.00 0.00 C ATOM 19 NH1 ARG A 2 -7.188 10.034 19.416 1.00 0.00 N ATOM 20 NH2 ARG A 2 -7.472 12.235 18.831 1.00 0.00 N ATOM 0 H ARG A 2 -9.407 10.277 13.029 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.512 9.804 12.822 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.537 8.607 14.976 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.884 10.312 15.182 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.369 9.675 15.178 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.850 8.004 15.287 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.276 8.785 17.529 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.544 8.582 17.357 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.511 11.301 16.776 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.299 9.042 19.206 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.747 10.324 20.289 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.802 12.939 18.170 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.031 12.522 19.705 1.00 0.00 H new ATOM 34 N ARG A 3 -8.485 8.262 11.469 1.00 0.00 N ATOM 35 CA ARG A 3 -8.956 7.066 10.781 1.00 0.00 C ATOM 36 C ARG A 3 -7.867 6.485 9.883 1.00 0.00 C ATOM 37 O ARG A 3 -7.123 5.595 10.296 1.00 0.00 O ATOM 38 CB ARG A 3 -10.207 7.382 9.960 1.00 0.00 C ATOM 39 CG ARG A 3 -11.421 7.718 10.811 1.00 0.00 C ATOM 40 CD ARG A 3 -12.637 8.027 9.954 1.00 0.00 C ATOM 41 NE ARG A 3 -13.834 8.243 10.762 1.00 0.00 N ATOM 42 CZ ARG A 3 -14.908 8.899 10.331 1.00 0.00 C ATOM 43 NH1 ARG A 3 -14.928 9.412 9.108 1.00 0.00 N ATOM 44 NH2 ARG A 3 -15.962 9.043 11.123 1.00 0.00 N ATOM 0 H ARG A 3 -8.638 9.131 10.957 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.208 6.320 11.535 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.995 8.221 9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.442 6.526 9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.645 6.881 11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.195 8.575 11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.441 8.914 9.352 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.811 7.204 9.261 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.847 7.870 11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.119 9.304 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.752 9.915 8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.950 8.650 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.785 9.546 10.791 1.00 0.00 H new ATOM 58 N ARG A 4 -7.771 6.997 8.658 1.00 0.00 N ATOM 59 CA ARG A 4 -6.770 6.518 7.710 1.00 0.00 C ATOM 60 C ARG A 4 -5.859 7.649 7.251 1.00 0.00 C ATOM 61 O ARG A 4 -4.866 7.416 6.563 1.00 0.00 O ATOM 62 CB ARG A 4 -7.446 5.867 6.502 1.00 0.00 C ATOM 63 CG ARG A 4 -8.364 4.708 6.864 1.00 0.00 C ATOM 64 CD ARG A 4 -7.655 3.677 7.732 1.00 0.00 C ATOM 65 NE ARG A 4 -6.385 3.246 7.151 1.00 0.00 N ATOM 66 CZ ARG A 4 -6.148 2.004 6.738 1.00 0.00 C ATOM 67 NH1 ARG A 4 -7.090 1.076 6.835 1.00 0.00 N ATOM 68 NH2 ARG A 4 -4.966 1.690 6.226 1.00 0.00 N ATOM 0 H ARG A 4 -8.371 7.740 8.300 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.159 5.773 8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.023 6.623 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.678 5.510 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.239 5.088 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.724 4.231 5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.476 4.099 8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.303 2.811 7.867 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.639 3.936 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.001 1.313 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.904 0.125 6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.239 2.401 6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.784 0.738 5.909 1.00 0.00 H new ATOM 82 N ARG A 5 -6.201 8.874 7.631 1.00 0.00 N ATOM 83 CA ARG A 5 -5.400 10.035 7.260 1.00 0.00 C ATOM 84 C ARG A 5 -4.267 10.242 8.258 1.00 0.00 C ATOM 85 O ARG A 5 -3.859 11.370 8.537 1.00 0.00 O ATOM 86 CB ARG A 5 -6.276 11.287 7.172 1.00 0.00 C ATOM 87 CG ARG A 5 -7.134 11.525 8.403 1.00 0.00 C ATOM 88 CD ARG A 5 -6.455 12.460 9.391 1.00 0.00 C ATOM 89 NE ARG A 5 -6.096 13.736 8.776 1.00 0.00 N ATOM 90 CZ ARG A 5 -5.574 14.757 9.448 1.00 0.00 C ATOM 91 NH1 ARG A 5 -5.346 14.652 10.750 1.00 0.00 N ATOM 92 NH2 ARG A 5 -5.277 15.885 8.817 1.00 0.00 N ATOM 0 H ARG A 5 -7.024 9.089 8.194 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.964 9.853 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.637 12.155 7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.924 11.205 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.093 11.948 8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.344 10.572 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -7.119 12.639 10.237 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.558 11.982 9.785 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.255 13.849 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.571 13.786 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.945 15.438 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.449 15.970 7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.876 16.668 9.334 1.00 0.00 H new ATOM 106 N SER A 6 -3.753 9.133 8.776 1.00 0.00 N ATOM 107 CA SER A 6 -2.667 9.165 9.746 1.00 0.00 C ATOM 108 C SER A 6 -1.727 7.987 9.518 1.00 0.00 C ATOM 109 O SER A 6 -0.707 7.846 10.193 1.00 0.00 O ATOM 110 CB SER A 6 -3.219 9.137 11.172 1.00 0.00 C ATOM 111 OG SER A 6 -2.176 9.230 12.127 1.00 0.00 O ATOM 0 H SER A 6 -4.074 8.195 8.538 1.00 0.00 H new ATOM 0 HA SER A 6 -2.109 10.092 9.613 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.917 9.962 11.311 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.779 8.215 11.330 1.00 0.00 H new ATOM 0 HG SER A 6 -1.349 8.868 11.745 1.00 0.00 H new ATOM 117 N VAL A 7 -2.089 7.144 8.558 1.00 0.00 N ATOM 118 CA VAL A 7 -1.285 5.985 8.197 1.00 0.00 C ATOM 119 C VAL A 7 -1.402 5.704 6.705 1.00 0.00 C ATOM 120 O VAL A 7 -0.412 5.448 6.019 1.00 0.00 O ATOM 121 CB VAL A 7 -1.722 4.726 8.955 1.00 0.00 C ATOM 122 CG1 VAL A 7 -3.162 4.400 8.631 1.00 0.00 C ATOM 123 CG2 VAL A 7 -0.831 3.566 8.577 1.00 0.00 C ATOM 0 H VAL A 7 -2.944 7.245 8.011 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.255 6.221 8.465 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.635 4.907 10.026 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.463 3.504 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.799 5.234 8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.264 4.226 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.146 2.674 9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.905 3.385 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.202 3.801 8.835 1.00 0.00 H new ATOM 133 N GLN A 8 -2.636 5.753 6.225 1.00 0.00 N ATOM 134 CA GLN A 8 -2.948 5.497 4.833 1.00 0.00 C ATOM 135 C GLN A 8 -3.163 6.808 4.108 1.00 0.00 C ATOM 136 O GLN A 8 -4.295 7.263 3.942 1.00 0.00 O ATOM 137 CB GLN A 8 -4.208 4.651 4.755 1.00 0.00 C ATOM 138 CG GLN A 8 -4.526 4.137 3.359 1.00 0.00 C ATOM 139 CD GLN A 8 -3.368 3.388 2.718 1.00 0.00 C ATOM 140 OE1 GLN A 8 -3.194 3.426 1.499 1.00 0.00 O ATOM 141 NE2 GLN A 8 -2.575 2.695 3.530 1.00 0.00 N ATOM 0 H GLN A 8 -3.452 5.973 6.797 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.121 4.965 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.104 3.800 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.051 5.241 5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.393 3.478 3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.802 4.978 2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.753 2.689 4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.789 2.169 3.149 1.00 0.00 H new ATOM 150 N TRP A 9 -2.073 7.411 3.676 1.00 0.00 N ATOM 151 CA TRP A 9 -2.147 8.688 3.003 1.00 0.00 C ATOM 152 C TRP A 9 -1.145 8.786 1.852 1.00 0.00 C ATOM 153 O TRP A 9 -1.380 8.235 0.776 1.00 0.00 O ATOM 154 CB TRP A 9 -1.950 9.808 4.028 1.00 0.00 C ATOM 155 CG TRP A 9 -1.203 9.399 5.271 1.00 0.00 C ATOM 156 CD1 TRP A 9 -1.526 9.736 6.541 1.00 0.00 C ATOM 157 CD2 TRP A 9 -0.029 8.580 5.372 1.00 0.00 C ATOM 158 NE1 TRP A 9 -0.611 9.226 7.420 1.00 0.00 N ATOM 159 CE2 TRP A 9 0.318 8.509 6.731 1.00 0.00 C ATOM 160 CE3 TRP A 9 0.763 7.916 4.457 1.00 0.00 C ATOM 161 CZ2 TRP A 9 1.431 7.801 7.189 1.00 0.00 C ATOM 162 CZ3 TRP A 9 1.851 7.211 4.903 1.00 0.00 C ATOM 163 CH2 TRP A 9 2.188 7.153 6.260 1.00 0.00 C ATOM 0 H TRP A 9 -1.130 7.037 3.780 1.00 0.00 H new ATOM 0 HA TRP A 9 -3.134 8.792 2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -1.413 10.628 3.551 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.928 10.193 4.318 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -2.386 10.326 6.821 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.623 9.361 8.431 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.529 7.951 3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.682 7.768 8.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.465 6.686 4.187 1.00 0.00 H new ATOM 0 HH2 TRP A 9 3.055 6.590 6.573 1.00 0.00 H new ATOM 174 N CYS A 10 -0.033 9.485 2.069 1.00 0.00 N ATOM 175 CA CYS A 10 0.988 9.629 1.035 1.00 0.00 C ATOM 176 C CYS A 10 1.571 8.263 0.681 1.00 0.00 C ATOM 177 O CYS A 10 2.376 8.130 -0.241 1.00 0.00 O ATOM 178 CB CYS A 10 2.095 10.567 1.515 1.00 0.00 C ATOM 179 SG CYS A 10 2.938 11.462 0.171 1.00 0.00 S ATOM 0 H CYS A 10 0.183 9.958 2.947 1.00 0.00 H new ATOM 0 HA CYS A 10 0.529 10.057 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.669 11.291 2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.832 9.988 2.071 1.00 0.00 H new ATOM 184 N ALA A 11 1.144 7.256 1.432 1.00 0.00 N ATOM 185 CA ALA A 11 1.582 5.884 1.248 1.00 0.00 C ATOM 186 C ALA A 11 0.962 5.274 -0.006 1.00 0.00 C ATOM 187 O ALA A 11 0.079 4.418 0.077 1.00 0.00 O ATOM 188 CB ALA A 11 1.203 5.073 2.480 1.00 0.00 C ATOM 0 H ALA A 11 0.476 7.373 2.194 1.00 0.00 H new ATOM 0 HA ALA A 11 2.664 5.870 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.528 4.041 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.687 5.498 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.122 5.098 2.614 1.00 0.00 H new ATOM 194 N VAL A 12 1.428 5.722 -1.165 1.00 0.00 N ATOM 195 CA VAL A 12 0.923 5.224 -2.440 1.00 0.00 C ATOM 196 C VAL A 12 1.375 3.788 -2.684 1.00 0.00 C ATOM 197 O VAL A 12 0.645 2.986 -3.267 1.00 0.00 O ATOM 198 CB VAL A 12 1.392 6.109 -3.611 1.00 0.00 C ATOM 199 CG1 VAL A 12 0.781 5.637 -4.922 1.00 0.00 C ATOM 200 CG2 VAL A 12 1.047 7.567 -3.348 1.00 0.00 C ATOM 0 H VAL A 12 2.157 6.431 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.165 5.254 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 12 2.475 6.023 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.126 6.276 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.085 4.608 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.306 5.688 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.385 8.178 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.032 7.671 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.540 7.899 -2.434 1.00 0.00 H new ATOM 210 N SER A 13 2.584 3.471 -2.234 1.00 0.00 N ATOM 211 CA SER A 13 3.138 2.132 -2.404 1.00 0.00 C ATOM 212 C SER A 13 2.392 1.118 -1.546 1.00 0.00 C ATOM 213 O SER A 13 2.612 1.029 -0.338 1.00 0.00 O ATOM 214 CB SER A 13 4.626 2.124 -2.046 1.00 0.00 C ATOM 215 OG SER A 13 5.179 0.828 -2.201 1.00 0.00 O ATOM 0 H SER A 13 3.200 4.123 -1.748 1.00 0.00 H new ATOM 0 HA SER A 13 3.020 1.849 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.160 2.830 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.758 2.459 -1.017 1.00 0.00 H new ATOM 0 HG SER A 13 6.146 0.864 -2.046 1.00 0.00 H new ATOM 221 N GLN A 14 1.505 0.357 -2.180 1.00 0.00 N ATOM 222 CA GLN A 14 0.729 -0.657 -1.480 1.00 0.00 C ATOM 223 C GLN A 14 1.391 -2.048 -1.515 1.00 0.00 C ATOM 224 O GLN A 14 1.098 -2.874 -0.649 1.00 0.00 O ATOM 225 CB GLN A 14 -0.702 -0.725 -2.037 1.00 0.00 C ATOM 226 CG GLN A 14 -0.788 -0.949 -3.542 1.00 0.00 C ATOM 227 CD GLN A 14 -1.122 -2.385 -3.908 1.00 0.00 C ATOM 228 OE1 GLN A 14 -1.720 -2.646 -4.952 1.00 0.00 O ATOM 229 NE2 GLN A 14 -0.743 -3.322 -3.048 1.00 0.00 N ATOM 0 H GLN A 14 1.307 0.425 -3.178 1.00 0.00 H new ATOM 0 HA GLN A 14 0.691 -0.354 -0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.236 -1.530 -1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.218 0.203 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.546 -0.287 -3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.162 -0.674 -4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.249 -3.061 -2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.945 -4.303 -3.241 1.00 0.00 H new ATOM 238 N PRO A 15 2.289 -2.355 -2.488 1.00 0.00 N ATOM 239 CA PRO A 15 2.939 -3.671 -2.551 1.00 0.00 C ATOM 240 C PRO A 15 3.918 -3.880 -1.402 1.00 0.00 C ATOM 241 O PRO A 15 4.303 -5.010 -1.099 1.00 0.00 O ATOM 242 CB PRO A 15 3.688 -3.658 -3.894 1.00 0.00 C ATOM 243 CG PRO A 15 3.148 -2.484 -4.636 1.00 0.00 C ATOM 244 CD PRO A 15 2.755 -1.491 -3.587 1.00 0.00 C ATOM 0 HA PRO A 15 2.214 -4.481 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.764 -3.567 -3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.521 -4.583 -4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.897 -2.067 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.292 -2.767 -5.248 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.596 -0.867 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.970 -0.821 -3.937 1.00 0.00 H new ATOM 252 N GLU A 16 4.317 -2.785 -0.765 1.00 0.00 N ATOM 253 CA GLU A 16 5.253 -2.848 0.351 1.00 0.00 C ATOM 254 C GLU A 16 4.533 -2.654 1.680 1.00 0.00 C ATOM 255 O GLU A 16 4.949 -3.193 2.707 1.00 0.00 O ATOM 256 CB GLU A 16 6.347 -1.792 0.190 1.00 0.00 C ATOM 257 CG GLU A 16 7.247 -2.027 -1.013 1.00 0.00 C ATOM 258 CD GLU A 16 8.290 -0.940 -1.183 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.334 -1.007 -0.500 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.063 -0.021 -1.997 1.00 0.00 O ATOM 0 H GLU A 16 4.007 -1.843 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 16 5.711 -3.837 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.882 -0.810 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.958 -1.773 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.746 -2.990 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.636 -2.083 -1.914 1.00 0.00 H new ATOM 267 N ALA A 17 3.454 -1.882 1.655 1.00 0.00 N ATOM 268 CA ALA A 17 2.674 -1.619 2.857 1.00 0.00 C ATOM 269 C ALA A 17 1.909 -2.863 3.292 1.00 0.00 C ATOM 270 O ALA A 17 2.071 -3.345 4.413 1.00 0.00 O ATOM 271 CB ALA A 17 1.713 -0.466 2.614 1.00 0.00 C ATOM 0 H ALA A 17 3.099 -1.427 0.814 1.00 0.00 H new ATOM 0 HA ALA A 17 3.360 -1.346 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.135 -0.278 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.277 0.429 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.037 -0.722 1.798 1.00 0.00 H new ATOM 277 N THR A 18 1.073 -3.371 2.391 1.00 0.00 N ATOM 278 CA THR A 18 0.268 -4.556 2.654 1.00 0.00 C ATOM 279 C THR A 18 1.061 -5.658 3.316 1.00 0.00 C ATOM 280 O THR A 18 0.688 -6.113 4.381 1.00 0.00 O ATOM 281 CB THR A 18 -0.332 -5.150 1.380 1.00 0.00 C ATOM 282 OG1 THR A 18 0.705 -5.459 0.442 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.325 -4.200 0.749 1.00 0.00 C ATOM 0 H THR A 18 0.936 -2.973 1.462 1.00 0.00 H new ATOM 0 HA THR A 18 -0.522 -4.205 3.318 1.00 0.00 H new ATOM 0 HB THR A 18 -0.858 -6.065 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.954 -4.648 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.735 -4.650 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.133 -3.998 1.452 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.824 -3.266 0.494 1.00 0.00 H new ATOM 291 N LYS A 19 2.139 -6.104 2.675 1.00 0.00 N ATOM 292 CA LYS A 19 2.945 -7.177 3.233 1.00 0.00 C ATOM 293 C LYS A 19 3.351 -6.839 4.659 1.00 0.00 C ATOM 294 O LYS A 19 3.147 -7.624 5.569 1.00 0.00 O ATOM 295 CB LYS A 19 4.161 -7.467 2.342 1.00 0.00 C ATOM 296 CG LYS A 19 5.497 -7.525 3.073 1.00 0.00 C ATOM 297 CD LYS A 19 6.180 -6.169 3.076 1.00 0.00 C ATOM 298 CE LYS A 19 6.561 -5.746 1.670 1.00 0.00 C ATOM 299 NZ LYS A 19 7.455 -4.555 1.672 1.00 0.00 N ATOM 0 H LYS A 19 2.468 -5.742 1.780 1.00 0.00 H new ATOM 0 HA LYS A 19 2.349 -8.089 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.001 -8.418 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.219 -6.699 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.339 -7.858 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.144 -8.260 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.516 -5.425 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.072 -6.209 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.059 -6.573 1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.659 -5.522 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.706 -4.308 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.964 -3.753 2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.320 -4.771 2.207 1.00 0.00 H new ATOM 313 N CYS A 20 3.866 -5.642 4.873 1.00 0.00 N ATOM 314 CA CYS A 20 4.273 -5.238 6.212 1.00 0.00 C ATOM 315 C CYS A 20 3.060 -5.260 7.156 1.00 0.00 C ATOM 316 O CYS A 20 3.153 -4.886 8.325 1.00 0.00 O ATOM 317 CB CYS A 20 4.881 -3.831 6.160 1.00 0.00 C ATOM 318 SG CYS A 20 6.140 -3.483 7.432 1.00 0.00 S ATOM 0 H CYS A 20 4.012 -4.938 4.149 1.00 0.00 H new ATOM 0 HA CYS A 20 5.021 -5.935 6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.329 -3.682 5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.077 -3.101 6.258 1.00 0.00 H new ATOM 323 N PHE A 21 1.922 -5.708 6.616 1.00 0.00 N ATOM 324 CA PHE A 21 0.666 -5.799 7.344 1.00 0.00 C ATOM 325 C PHE A 21 0.104 -7.221 7.244 1.00 0.00 C ATOM 326 O PHE A 21 -0.542 -7.717 8.166 1.00 0.00 O ATOM 327 CB PHE A 21 -0.328 -4.807 6.735 1.00 0.00 C ATOM 328 CG PHE A 21 -1.307 -4.222 7.705 1.00 0.00 C ATOM 329 CD1 PHE A 21 -1.978 -5.022 8.615 1.00 0.00 C ATOM 330 CD2 PHE A 21 -1.560 -2.861 7.697 1.00 0.00 C ATOM 331 CE1 PHE A 21 -2.884 -4.474 9.503 1.00 0.00 C ATOM 332 CE2 PHE A 21 -2.465 -2.306 8.583 1.00 0.00 C ATOM 333 CZ PHE A 21 -3.128 -3.114 9.486 1.00 0.00 C ATOM 0 H PHE A 21 1.853 -6.020 5.647 1.00 0.00 H new ATOM 0 HA PHE A 21 0.832 -5.562 8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.230 -3.995 6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.881 -5.309 5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.791 -6.086 8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.045 -2.226 6.991 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.400 -5.108 10.209 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.653 -1.243 8.569 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.836 -2.683 10.178 1.00 0.00 H new ATOM 343 N GLN A 22 0.372 -7.869 6.111 1.00 0.00 N ATOM 344 CA GLN A 22 -0.091 -9.227 5.855 1.00 0.00 C ATOM 345 C GLN A 22 1.014 -10.192 6.248 1.00 0.00 C ATOM 346 O GLN A 22 0.780 -11.180 6.944 1.00 0.00 O ATOM 347 CB GLN A 22 -0.463 -9.398 4.378 1.00 0.00 C ATOM 348 CG GLN A 22 -1.382 -8.307 3.849 1.00 0.00 C ATOM 349 CD GLN A 22 -2.064 -8.693 2.549 1.00 0.00 C ATOM 350 OE1 GLN A 22 -3.176 -8.250 2.264 1.00 0.00 O ATOM 351 NE2 GLN A 22 -1.399 -9.522 1.750 1.00 0.00 N ATOM 0 H GLN A 22 0.915 -7.466 5.348 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.985 -9.433 6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.449 -9.413 3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.947 -10.365 4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.140 -8.081 4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.805 -7.395 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.479 -9.866 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.809 -9.814 0.863 1.00 0.00 H new ATOM 360 N TRP A 23 2.221 -9.894 5.770 1.00 0.00 N ATOM 361 CA TRP A 23 3.405 -10.666 6.120 1.00 0.00 C ATOM 362 C TRP A 23 3.422 -10.843 7.624 1.00 0.00 C ATOM 363 O TRP A 23 3.851 -11.871 8.143 1.00 0.00 O ATOM 364 CB TRP A 23 4.673 -9.917 5.673 1.00 0.00 C ATOM 365 CG TRP A 23 5.917 -10.328 6.379 1.00 0.00 C ATOM 366 CD1 TRP A 23 6.853 -11.201 5.944 1.00 0.00 C ATOM 367 CD2 TRP A 23 6.362 -9.858 7.640 1.00 0.00 C ATOM 368 NE1 TRP A 23 7.858 -11.324 6.872 1.00 0.00 N ATOM 369 CE2 TRP A 23 7.575 -10.502 7.928 1.00 0.00 C ATOM 370 CE3 TRP A 23 5.841 -8.958 8.552 1.00 0.00 C ATOM 371 CZ2 TRP A 23 8.275 -10.268 9.104 1.00 0.00 C ATOM 372 CZ3 TRP A 23 6.526 -8.723 9.712 1.00 0.00 C ATOM 373 CH2 TRP A 23 7.737 -9.374 9.987 1.00 0.00 C ATOM 0 H TRP A 23 2.402 -9.117 5.135 1.00 0.00 H new ATOM 0 HA TRP A 23 3.381 -11.635 5.622 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.811 -10.070 4.603 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.521 -8.849 5.825 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.816 -11.727 5.001 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.677 -11.926 6.788 1.00 0.00 H new ATOM 0 HE3 TRP A 23 4.909 -8.450 8.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.207 -10.772 9.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.126 -8.022 10.430 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.254 -9.166 10.912 1.00 0.00 H new ATOM 384 N GLN A 24 2.961 -9.802 8.313 1.00 0.00 N ATOM 385 CA GLN A 24 2.894 -9.810 9.760 1.00 0.00 C ATOM 386 C GLN A 24 1.863 -10.827 10.229 1.00 0.00 C ATOM 387 O GLN A 24 2.094 -11.582 11.174 1.00 0.00 O ATOM 388 CB GLN A 24 2.533 -8.417 10.284 1.00 0.00 C ATOM 389 CG GLN A 24 3.262 -8.040 11.563 1.00 0.00 C ATOM 390 CD GLN A 24 2.968 -6.620 12.005 1.00 0.00 C ATOM 391 OE1 GLN A 24 2.026 -6.373 12.755 1.00 0.00 O ATOM 392 NE2 GLN A 24 3.778 -5.677 11.538 1.00 0.00 N ATOM 0 H GLN A 24 2.628 -8.939 7.883 1.00 0.00 H new ATOM 0 HA GLN A 24 3.872 -10.089 10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.760 -7.679 9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.458 -8.372 10.461 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.976 -8.730 12.357 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.335 -8.155 11.412 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.548 -5.927 10.918 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.630 -4.702 11.800 1.00 0.00 H new ATOM 401 N ARG A 25 0.719 -10.830 9.553 1.00 0.00 N ATOM 402 CA ARG A 25 -0.366 -11.749 9.865 1.00 0.00 C ATOM 403 C ARG A 25 -0.089 -13.120 9.272 1.00 0.00 C ATOM 404 O ARG A 25 -0.963 -13.985 9.228 1.00 0.00 O ATOM 405 CB ARG A 25 -1.688 -11.188 9.338 1.00 0.00 C ATOM 406 CG ARG A 25 -2.477 -10.401 10.373 1.00 0.00 C ATOM 407 CD ARG A 25 -1.702 -9.189 10.868 1.00 0.00 C ATOM 408 NE ARG A 25 -2.504 -8.354 11.760 1.00 0.00 N ATOM 409 CZ ARG A 25 -2.111 -7.980 12.975 1.00 0.00 C ATOM 410 NH1 ARG A 25 -0.937 -8.378 13.451 1.00 0.00 N ATOM 411 NH2 ARG A 25 -2.895 -7.209 13.717 1.00 0.00 N ATOM 0 H ARG A 25 0.520 -10.198 8.777 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.438 -11.858 10.947 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.483 -10.543 8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.303 -12.012 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.423 -10.076 9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.718 -11.048 11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.805 -9.521 11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.373 -8.596 10.015 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.417 -8.040 11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.332 -8.973 12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.640 -8.089 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.799 -6.903 13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.594 -6.922 14.648 1.00 0.00 H new ATOM 425 N ASN A 26 1.133 -13.289 8.796 1.00 0.00 N ATOM 426 CA ASN A 26 1.583 -14.552 8.235 1.00 0.00 C ATOM 427 C ASN A 26 2.834 -15.008 8.967 1.00 0.00 C ATOM 428 O ASN A 26 3.126 -16.197 9.045 1.00 0.00 O ATOM 429 CB ASN A 26 1.874 -14.408 6.745 1.00 0.00 C ATOM 430 CG ASN A 26 0.631 -14.081 5.942 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.472 -14.511 6.279 1.00 0.00 O ATOM 432 ND2 ASN A 26 0.805 -13.311 4.874 1.00 0.00 N ATOM 0 H ASN A 26 1.841 -12.555 8.787 1.00 0.00 H new ATOM 0 HA ASN A 26 0.794 -15.294 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.616 -13.623 6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.311 -15.334 6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.006 -13.053 4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.738 -12.977 4.632 1.00 0.00 H new ATOM 439 N MET A 27 3.558 -14.039 9.515 1.00 0.00 N ATOM 440 CA MET A 27 4.778 -14.304 10.258 1.00 0.00 C ATOM 441 C MET A 27 4.489 -15.246 11.415 1.00 0.00 C ATOM 442 O MET A 27 5.378 -15.937 11.913 1.00 0.00 O ATOM 443 CB MET A 27 5.355 -12.990 10.788 1.00 0.00 C ATOM 444 CG MET A 27 6.873 -12.955 10.817 1.00 0.00 C ATOM 445 SD MET A 27 7.527 -12.415 12.408 1.00 0.00 S ATOM 446 CE MET A 27 6.907 -13.703 13.487 1.00 0.00 C ATOM 0 H MET A 27 3.314 -13.050 9.455 1.00 0.00 H new ATOM 0 HA MET A 27 5.504 -14.773 9.594 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.994 -12.169 10.168 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.978 -12.819 11.796 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.260 -13.948 10.588 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.232 -12.285 10.035 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.448 -13.677 14.433 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.845 -13.543 13.671 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.051 -14.674 13.014 1.00 0.00 H new ATOM 456 N ARG A 28 3.230 -15.263 11.839 1.00 0.00 N ATOM 457 CA ARG A 28 2.802 -16.114 12.938 1.00 0.00 C ATOM 458 C ARG A 28 2.955 -17.590 12.579 1.00 0.00 C ATOM 459 O ARG A 28 3.213 -18.423 13.448 1.00 0.00 O ATOM 460 CB ARG A 28 1.351 -15.800 13.326 1.00 0.00 C ATOM 461 CG ARG A 28 0.309 -16.488 12.460 1.00 0.00 C ATOM 462 CD ARG A 28 0.219 -15.861 11.082 1.00 0.00 C ATOM 463 NE ARG A 28 -0.592 -16.656 10.171 1.00 0.00 N ATOM 464 CZ ARG A 28 -1.921 -16.627 10.143 1.00 0.00 C ATOM 465 NH1 ARG A 28 -2.592 -15.846 10.980 1.00 0.00 N ATOM 466 NH2 ARG A 28 -2.582 -17.380 9.274 1.00 0.00 N ATOM 0 H ARG A 28 2.487 -14.694 11.435 1.00 0.00 H new ATOM 0 HA ARG A 28 3.443 -15.908 13.796 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.194 -16.092 14.364 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.198 -14.722 13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.557 -17.545 12.363 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.664 -16.433 12.949 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.206 -14.861 11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.222 -15.748 10.669 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.112 -17.272 9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.088 -15.264 11.649 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.612 -15.828 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.071 -17.981 8.628 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.602 -17.358 9.252 1.00 0.00 H new ATOM 480 N LYS A 29 2.798 -17.909 11.295 1.00 0.00 N ATOM 481 CA LYS A 29 2.923 -19.294 10.838 1.00 0.00 C ATOM 482 C LYS A 29 3.815 -19.409 9.599 1.00 0.00 C ATOM 483 O LYS A 29 3.862 -20.461 8.959 1.00 0.00 O ATOM 484 CB LYS A 29 1.538 -19.882 10.542 1.00 0.00 C ATOM 485 CG LYS A 29 0.833 -19.244 9.353 1.00 0.00 C ATOM 486 CD LYS A 29 0.975 -20.077 8.085 1.00 0.00 C ATOM 487 CE LYS A 29 0.253 -21.410 8.199 1.00 0.00 C ATOM 488 NZ LYS A 29 -1.217 -21.237 8.377 1.00 0.00 N ATOM 0 H LYS A 29 2.586 -17.236 10.559 1.00 0.00 H new ATOM 0 HA LYS A 29 3.395 -19.861 11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.641 -20.952 10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.911 -19.769 11.426 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.224 -19.116 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.244 -18.249 9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.576 -19.519 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.032 -20.252 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.442 -22.002 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.657 -21.970 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.696 -22.146 8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.413 -20.911 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.569 -20.534 7.696 1.00 0.00 H new ATOM 502 N VAL A 30 4.529 -18.337 9.272 1.00 0.00 N ATOM 503 CA VAL A 30 5.406 -18.333 8.103 1.00 0.00 C ATOM 504 C VAL A 30 6.780 -17.752 8.443 1.00 0.00 C ATOM 505 O VAL A 30 7.570 -18.385 9.144 1.00 0.00 O ATOM 506 CB VAL A 30 4.777 -17.528 6.946 1.00 0.00 C ATOM 507 CG1 VAL A 30 5.598 -17.663 5.674 1.00 0.00 C ATOM 508 CG2 VAL A 30 3.348 -17.970 6.700 1.00 0.00 C ATOM 0 H VAL A 30 4.519 -17.462 9.797 1.00 0.00 H new ATOM 0 HA VAL A 30 5.532 -19.369 7.789 1.00 0.00 H new ATOM 0 HB VAL A 30 4.771 -16.477 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.131 -17.085 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.606 -17.289 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.646 -18.712 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.924 -17.390 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.334 -19.029 6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.757 -17.810 7.602 1.00 0.00 H new ATOM 518 N ARG A 31 7.062 -16.548 7.941 1.00 0.00 N ATOM 519 CA ARG A 31 8.332 -15.885 8.200 1.00 0.00 C ATOM 520 C ARG A 31 8.530 -15.682 9.695 1.00 0.00 C ATOM 521 O ARG A 31 7.636 -15.971 10.490 1.00 0.00 O ATOM 522 CB ARG A 31 8.378 -14.541 7.480 1.00 0.00 C ATOM 523 CG ARG A 31 8.602 -14.666 5.985 1.00 0.00 C ATOM 524 CD ARG A 31 10.070 -14.885 5.656 1.00 0.00 C ATOM 525 NE ARG A 31 10.319 -14.846 4.217 1.00 0.00 N ATOM 526 CZ ARG A 31 11.277 -14.115 3.653 1.00 0.00 C ATOM 527 NH1 ARG A 31 12.073 -13.366 4.405 1.00 0.00 N ATOM 528 NH2 ARG A 31 11.437 -14.131 2.337 1.00 0.00 N ATOM 0 H ARG A 31 6.423 -16.015 7.352 1.00 0.00 H new ATOM 0 HA ARG A 31 9.137 -16.517 7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.442 -14.010 7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.175 -13.934 7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.013 -15.497 5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.247 -13.764 5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.670 -14.120 6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.391 -15.848 6.054 1.00 0.00 H new ATOM 0 HE ARG A 31 9.725 -15.411 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.951 -13.350 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.807 -12.806 3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.825 -14.704 1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.172 -13.570 1.906 1.00 0.00 H new ATOM 542 N GLY A 32 9.705 -15.200 10.080 1.00 0.00 N ATOM 543 CA GLY A 32 9.964 -14.972 11.487 1.00 0.00 C ATOM 544 C GLY A 32 10.755 -13.699 11.840 1.00 0.00 C ATOM 545 O GLY A 32 10.973 -13.459 13.027 1.00 0.00 O ATOM 0 H GLY A 32 10.474 -14.966 9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.008 -14.936 12.009 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.508 -15.832 11.878 1.00 0.00 H new ATOM 549 N PRO A 33 11.215 -12.848 10.880 1.00 0.00 N ATOM 550 CA PRO A 33 11.968 -11.634 11.232 1.00 0.00 C ATOM 551 C PRO A 33 11.068 -10.538 11.799 1.00 0.00 C ATOM 552 O PRO A 33 9.849 -10.596 11.654 1.00 0.00 O ATOM 553 CB PRO A 33 12.568 -11.192 9.900 1.00 0.00 C ATOM 554 CG PRO A 33 11.599 -11.675 8.884 1.00 0.00 C ATOM 555 CD PRO A 33 11.065 -12.976 9.415 1.00 0.00 C ATOM 0 HA PRO A 33 12.710 -11.825 12.008 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.684 -10.109 9.856 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.556 -11.625 9.745 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.795 -10.954 8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.083 -11.816 7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.023 -13.126 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.627 -13.826 9.028 1.00 0.00 H new ATOM 563 N PRO A 34 11.656 -9.528 12.469 1.00 0.00 N ATOM 564 CA PRO A 34 10.903 -8.421 13.051 1.00 0.00 C ATOM 565 C PRO A 34 10.736 -7.246 12.089 1.00 0.00 C ATOM 566 O PRO A 34 11.679 -6.492 11.845 1.00 0.00 O ATOM 567 CB PRO A 34 11.782 -8.023 14.230 1.00 0.00 C ATOM 568 CG PRO A 34 13.179 -8.284 13.766 1.00 0.00 C ATOM 569 CD PRO A 34 13.101 -9.391 12.737 1.00 0.00 C ATOM 0 HA PRO A 34 9.884 -8.703 13.315 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.641 -6.975 14.493 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.543 -8.609 15.118 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.616 -7.384 13.333 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.815 -8.577 14.601 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.652 -9.135 11.832 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.526 -10.320 13.117 1.00 0.00 H new ATOM 577 N VAL A 35 9.531 -7.095 11.543 1.00 0.00 N ATOM 578 CA VAL A 35 9.242 -6.005 10.615 1.00 0.00 C ATOM 579 C VAL A 35 7.915 -5.337 10.958 1.00 0.00 C ATOM 580 O VAL A 35 6.856 -5.961 10.891 1.00 0.00 O ATOM 581 CB VAL A 35 9.193 -6.488 9.151 1.00 0.00 C ATOM 582 CG1 VAL A 35 9.154 -5.301 8.199 1.00 0.00 C ATOM 583 CG2 VAL A 35 10.377 -7.390 8.839 1.00 0.00 C ATOM 0 H VAL A 35 8.741 -7.713 11.727 1.00 0.00 H new ATOM 0 HA VAL A 35 10.056 -5.287 10.718 1.00 0.00 H new ATOM 0 HB VAL A 35 8.281 -7.069 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.120 -5.660 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.268 -4.700 8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.046 -4.691 8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.321 -7.718 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.305 -6.840 8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.355 -8.259 9.496 1.00 0.00 H new ATOM 593 N SER A 36 7.983 -4.066 11.325 1.00 0.00 N ATOM 594 CA SER A 36 6.797 -3.298 11.674 1.00 0.00 C ATOM 595 C SER A 36 6.824 -1.952 10.967 1.00 0.00 C ATOM 596 O SER A 36 7.402 -0.987 11.467 1.00 0.00 O ATOM 597 CB SER A 36 6.714 -3.094 13.186 1.00 0.00 C ATOM 598 OG SER A 36 7.920 -2.553 13.698 1.00 0.00 O ATOM 0 H SER A 36 8.855 -3.541 11.389 1.00 0.00 H new ATOM 0 HA SER A 36 5.916 -3.854 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.885 -2.427 13.420 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.504 -4.046 13.673 1.00 0.00 H new ATOM 0 HG SER A 36 8.228 -1.829 13.114 1.00 0.00 H new ATOM 604 N CYS A 37 6.199 -1.898 9.801 1.00 0.00 N ATOM 605 CA CYS A 37 6.169 -0.675 9.014 1.00 0.00 C ATOM 606 C CYS A 37 4.823 -0.495 8.320 1.00 0.00 C ATOM 607 O CYS A 37 4.571 -1.067 7.261 1.00 0.00 O ATOM 608 CB CYS A 37 7.312 -0.676 7.995 1.00 0.00 C ATOM 609 SG CYS A 37 7.172 -1.907 6.645 1.00 0.00 S ATOM 0 H CYS A 37 5.706 -2.685 9.379 1.00 0.00 H new ATOM 0 HA CYS A 37 6.304 0.169 9.690 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.379 0.317 7.551 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.248 -0.851 8.526 1.00 0.00 H new ATOM 614 N ILE A 38 3.960 0.314 8.923 1.00 0.00 N ATOM 615 CA ILE A 38 2.639 0.561 8.366 1.00 0.00 C ATOM 616 C ILE A 38 2.238 2.026 8.493 1.00 0.00 C ATOM 617 O ILE A 38 1.707 2.616 7.555 1.00 0.00 O ATOM 618 CB ILE A 38 1.578 -0.306 9.067 1.00 0.00 C ATOM 619 CG1 ILE A 38 2.028 -1.770 9.116 1.00 0.00 C ATOM 620 CG2 ILE A 38 0.240 -0.172 8.357 1.00 0.00 C ATOM 621 CD1 ILE A 38 1.153 -2.643 9.989 1.00 0.00 C ATOM 0 H ILE A 38 4.152 0.808 9.795 1.00 0.00 H new ATOM 0 HA ILE A 38 2.690 0.299 7.309 1.00 0.00 H new ATOM 0 HB ILE A 38 1.459 0.044 10.092 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.035 -2.174 8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.053 -1.814 9.484 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.503 -0.790 8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.080 0.870 8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.343 -0.500 7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.531 -3.665 9.976 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.166 -2.264 11.011 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.131 -2.629 9.609 1.00 0.00 H new ATOM 633 N LYS A 39 2.519 2.607 9.652 1.00 0.00 N ATOM 634 CA LYS A 39 2.173 3.998 9.920 1.00 0.00 C ATOM 635 C LYS A 39 3.417 4.855 10.112 1.00 0.00 C ATOM 636 O LYS A 39 3.646 5.402 11.191 1.00 0.00 O ATOM 637 CB LYS A 39 1.277 4.088 11.161 1.00 0.00 C ATOM 638 CG LYS A 39 1.735 3.212 12.319 1.00 0.00 C ATOM 639 CD LYS A 39 1.330 1.757 12.121 1.00 0.00 C ATOM 640 CE LYS A 39 1.828 0.882 13.261 1.00 0.00 C ATOM 641 NZ LYS A 39 3.314 0.885 13.358 1.00 0.00 N ATOM 0 H LYS A 39 2.988 2.135 10.425 1.00 0.00 H new ATOM 0 HA LYS A 39 1.632 4.381 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.240 5.125 11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.261 3.806 10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.818 3.278 12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.307 3.585 13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.244 1.686 12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.733 1.391 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.403 1.234 14.201 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.476 -0.139 13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.622 0.119 13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.724 0.739 12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.635 1.798 13.738 1.00 0.00 H new ATOM 655 N ARG A 40 4.223 4.969 9.060 1.00 0.00 N ATOM 656 CA ARG A 40 5.437 5.759 9.122 1.00 0.00 C ATOM 657 C ARG A 40 5.553 6.723 7.991 1.00 0.00 C ATOM 658 O ARG A 40 5.725 7.908 8.222 1.00 0.00 O ATOM 659 CB ARG A 40 6.672 4.886 9.049 1.00 0.00 C ATOM 660 CG ARG A 40 6.625 3.771 8.005 1.00 0.00 C ATOM 661 CD ARG A 40 5.556 2.730 8.284 1.00 0.00 C ATOM 662 NE ARG A 40 4.555 2.698 7.222 1.00 0.00 N ATOM 663 CZ ARG A 40 4.670 1.968 6.117 1.00 0.00 C ATOM 664 NH1 ARG A 40 5.752 1.227 5.918 1.00 0.00 N ATOM 665 NH2 ARG A 40 3.707 1.984 5.207 1.00 0.00 N ATOM 0 H ARG A 40 4.053 4.523 8.158 1.00 0.00 H new ATOM 0 HA ARG A 40 5.374 6.290 10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.533 5.521 8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.837 4.437 10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.447 4.210 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.598 3.281 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.019 1.748 8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.072 2.949 9.236 1.00 0.00 H new ATOM 0 HE ARG A 40 3.718 3.270 7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.498 1.217 6.614 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.838 0.668 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.876 2.557 5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.797 1.423 4.360 1.00 0.00 H new ATOM 679 N ASP A 41 5.400 6.176 6.787 1.00 0.00 N ATOM 680 CA ASP A 41 5.579 6.892 5.525 1.00 0.00 C ATOM 681 C ASP A 41 5.107 8.337 5.571 1.00 0.00 C ATOM 682 O ASP A 41 4.207 8.755 4.845 1.00 0.00 O ATOM 683 CB ASP A 41 4.876 6.132 4.403 1.00 0.00 C ATOM 684 CG ASP A 41 5.764 5.074 3.777 1.00 0.00 C ATOM 685 OD1 ASP A 41 5.813 3.947 4.313 1.00 0.00 O ATOM 686 OD2 ASP A 41 6.412 5.374 2.752 1.00 0.00 O ATOM 0 H ASP A 41 5.142 5.198 6.658 1.00 0.00 H new ATOM 0 HA ASP A 41 6.651 6.937 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.975 5.660 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.558 6.836 3.635 1.00 0.00 H new ATOM 691 N SER A 42 5.779 9.096 6.424 1.00 0.00 N ATOM 692 CA SER A 42 5.510 10.512 6.599 1.00 0.00 C ATOM 693 C SER A 42 5.905 11.268 5.331 1.00 0.00 C ATOM 694 O SER A 42 6.447 10.666 4.408 1.00 0.00 O ATOM 695 CB SER A 42 6.307 11.022 7.808 1.00 0.00 C ATOM 696 OG SER A 42 5.810 10.472 9.016 1.00 0.00 O ATOM 0 H SER A 42 6.530 8.743 7.017 1.00 0.00 H new ATOM 0 HA SER A 42 4.447 10.676 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.359 10.760 7.691 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.253 12.110 7.851 1.00 0.00 H new ATOM 0 HG SER A 42 5.722 9.501 8.921 1.00 0.00 H new ATOM 702 N PRO A 43 5.623 12.585 5.240 1.00 0.00 N ATOM 703 CA PRO A 43 5.994 13.388 4.067 1.00 0.00 C ATOM 704 C PRO A 43 7.487 13.308 3.728 1.00 0.00 C ATOM 705 O PRO A 43 7.957 13.993 2.818 1.00 0.00 O ATOM 706 CB PRO A 43 5.614 14.824 4.464 1.00 0.00 C ATOM 707 CG PRO A 43 5.351 14.780 5.933 1.00 0.00 C ATOM 708 CD PRO A 43 4.883 13.386 6.226 1.00 0.00 C ATOM 0 HA PRO A 43 5.486 13.029 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.419 15.521 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.733 15.161 3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.253 15.016 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.596 15.513 6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.116 13.087 7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.805 13.286 6.102 1.00 0.00 H new ATOM 716 N ILE A 44 8.233 12.475 4.458 1.00 0.00 N ATOM 717 CA ILE A 44 9.664 12.318 4.215 1.00 0.00 C ATOM 718 C ILE A 44 9.969 10.908 3.723 1.00 0.00 C ATOM 719 O ILE A 44 10.960 10.671 3.033 1.00 0.00 O ATOM 720 CB ILE A 44 10.488 12.608 5.485 1.00 0.00 C ATOM 721 CG1 ILE A 44 10.076 13.954 6.086 1.00 0.00 C ATOM 722 CG2 ILE A 44 11.977 12.595 5.166 1.00 0.00 C ATOM 723 CD1 ILE A 44 10.752 14.265 7.405 1.00 0.00 C ATOM 0 H ILE A 44 7.869 11.902 5.219 1.00 0.00 H new ATOM 0 HA ILE A 44 9.946 13.040 3.449 1.00 0.00 H new ATOM 0 HB ILE A 44 10.289 11.827 6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.308 14.746 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.996 13.962 6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.545 12.801 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.257 11.616 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.196 13.358 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.411 15.234 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.500 13.494 8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.832 14.291 7.263 1.00 0.00 H new ATOM 735 N GLN A 45 9.095 9.985 4.089 1.00 0.00 N ATOM 736 CA GLN A 45 9.223 8.583 3.704 1.00 0.00 C ATOM 737 C GLN A 45 8.396 8.293 2.456 1.00 0.00 C ATOM 738 O GLN A 45 8.699 7.378 1.691 1.00 0.00 O ATOM 739 CB GLN A 45 8.749 7.688 4.846 1.00 0.00 C ATOM 740 CG GLN A 45 9.828 7.343 5.856 1.00 0.00 C ATOM 741 CD GLN A 45 9.396 7.560 7.290 1.00 0.00 C ATOM 742 OE1 GLN A 45 10.206 7.938 8.135 1.00 0.00 O ATOM 743 NE2 GLN A 45 8.124 7.309 7.590 1.00 0.00 N ATOM 0 H GLN A 45 8.275 10.184 4.662 1.00 0.00 H new ATOM 0 HA GLN A 45 10.272 8.378 3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.928 8.183 5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.351 6.764 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.119 6.301 5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.712 7.948 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.480 6.997 6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.793 7.429 8.547 1.00 0.00 H new ATOM 752 N CYS A 46 7.345 9.085 2.274 1.00 0.00 N ATOM 753 CA CYS A 46 6.444 8.945 1.137 1.00 0.00 C ATOM 754 C CYS A 46 7.215 8.871 -0.177 1.00 0.00 C ATOM 755 O CYS A 46 6.839 8.135 -1.088 1.00 0.00 O ATOM 756 CB CYS A 46 5.479 10.127 1.111 1.00 0.00 C ATOM 757 SG CYS A 46 4.436 10.212 -0.378 1.00 0.00 S ATOM 0 H CYS A 46 7.094 9.842 2.910 1.00 0.00 H new ATOM 0 HA CYS A 46 5.888 8.014 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.835 10.074 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.052 11.051 1.192 1.00 0.00 H new ATOM 762 N ILE A 47 8.295 9.642 -0.266 1.00 0.00 N ATOM 763 CA ILE A 47 9.121 9.666 -1.467 1.00 0.00 C ATOM 764 C ILE A 47 10.270 8.666 -1.362 1.00 0.00 C ATOM 765 O ILE A 47 11.210 8.865 -0.593 1.00 0.00 O ATOM 766 CB ILE A 47 9.699 11.073 -1.718 1.00 0.00 C ATOM 767 CG1 ILE A 47 8.574 12.111 -1.734 1.00 0.00 C ATOM 768 CG2 ILE A 47 10.476 11.104 -3.027 1.00 0.00 C ATOM 769 CD1 ILE A 47 9.067 13.542 -1.799 1.00 0.00 C ATOM 0 H ILE A 47 8.618 10.258 0.480 1.00 0.00 H new ATOM 0 HA ILE A 47 8.479 9.390 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 47 10.386 11.318 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.927 11.920 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.964 11.986 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.877 12.105 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.296 10.388 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.812 10.842 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.214 14.221 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.690 13.752 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.652 13.684 -2.707 1.00 0.00 H new ATOM 781 N GLN A 48 10.183 7.591 -2.141 1.00 0.00 N ATOM 782 CA GLN A 48 11.213 6.558 -2.137 1.00 0.00 C ATOM 783 C GLN A 48 11.821 6.389 -3.527 1.00 0.00 C ATOM 784 O GLN A 48 11.126 6.033 -4.479 1.00 0.00 O ATOM 785 CB GLN A 48 10.629 5.226 -1.658 1.00 0.00 C ATOM 786 CG GLN A 48 10.075 5.279 -0.242 1.00 0.00 C ATOM 787 CD GLN A 48 9.461 3.961 0.196 1.00 0.00 C ATOM 788 OE1 GLN A 48 9.485 3.616 1.378 1.00 0.00 O ATOM 789 NE2 GLN A 48 8.903 3.219 -0.755 1.00 0.00 N ATOM 0 H GLN A 48 9.410 7.413 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 48 12.001 6.869 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.834 4.921 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.403 4.460 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.875 5.549 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.322 6.065 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.905 3.543 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.472 2.325 -0.518 1.00 0.00 H new ATOM 798 N ALA A 49 13.120 6.648 -3.635 1.00 0.00 N ATOM 799 CA ALA A 49 13.822 6.525 -4.907 1.00 0.00 C ATOM 800 C ALA A 49 15.108 5.720 -4.748 1.00 0.00 C ATOM 801 O ALA A 49 16.149 6.327 -4.417 1.00 0.00 O ATOM 802 CB ALA A 49 14.126 7.902 -5.478 1.00 0.00 C ATOM 803 OXT ALA A 49 15.064 4.489 -4.954 1.00 0.00 O ATOM 0 H ALA A 49 13.708 6.945 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 49 13.173 5.991 -5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.650 7.794 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.194 8.444 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.752 8.456 -4.779 1.00 0.00 H new TER 809 ALA A 49