USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 Set 1.1: A 29 TYR OH : rot -171:sc= -1.84! USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -2.57! C(o=-7.9!,f=-4.4!) USER MOD Set 2.1: A 8 ASN : amide:sc= -5.46! C(o=-11!,f=-21!) USER MOD Set 2.2: A 19 GLN :FLIP amide:sc= -5.11! C(o=-20!,f=-11!) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.14) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0058 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -1.04 (180deg=-1.4) USER MOD Single : A 25 TYR OH : rot 150:sc= -0.556 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 40 TYR OH : rot 101:sc= 1.1 USER MOD Single : A 41 SER OG : rot 110:sc= -0.638 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -2 (180deg=-2.36) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 54 LYS NZ :NH3+ -118:sc= 0.0811 (180deg=-0.315) USER MOD Single : A 59 SER OG : rot -150:sc= -0.251 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.81! C(o=-4.8!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 13.322 -4.685 10.871 1.00 0.00 N ATOM 63 CA ARG A 6 12.980 -3.643 11.890 1.00 0.00 C ATOM 64 C ARG A 6 12.437 -2.402 11.178 1.00 0.00 C ATOM 65 O ARG A 6 12.531 -2.275 9.973 1.00 0.00 O ATOM 66 CB ARG A 6 14.239 -3.269 12.682 1.00 0.00 C ATOM 67 CG ARG A 6 14.695 -4.461 13.574 1.00 0.00 C ATOM 68 CD ARG A 6 15.022 -3.982 14.996 1.00 0.00 C ATOM 69 NE ARG A 6 16.267 -3.163 14.966 1.00 0.00 N ATOM 70 CZ ARG A 6 16.592 -2.429 15.995 1.00 0.00 C ATOM 71 NH1 ARG A 6 15.825 -2.406 17.050 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.686 -1.715 15.967 1.00 0.00 N ATOM 0 HA ARG A 6 12.226 -4.033 12.574 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.040 -2.994 11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.039 -2.397 13.304 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.909 -5.215 13.611 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.572 -4.936 13.134 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.195 -3.393 15.393 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.151 -4.837 15.659 1.00 0.00 H new ATOM 0 HE ARG A 6 16.866 -3.176 14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.970 -2.962 17.071 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.080 -1.832 17.854 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.285 -1.732 15.142 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.941 -1.141 16.771 1.00 0.00 H new ATOM 86 N ASP A 7 11.858 -1.492 11.912 1.00 0.00 N ATOM 87 CA ASP A 7 11.294 -0.263 11.279 1.00 0.00 C ATOM 88 C ASP A 7 12.384 0.792 11.089 1.00 0.00 C ATOM 89 O ASP A 7 13.536 0.486 10.853 1.00 0.00 O ATOM 90 CB ASP A 7 10.183 0.304 12.169 1.00 0.00 C ATOM 91 CG ASP A 7 10.788 1.034 13.373 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.676 0.476 13.997 1.00 0.00 O ATOM 93 OD2 ASP A 7 10.360 2.144 13.641 1.00 0.00 O ATOM 0 H ASP A 7 11.750 -1.545 12.925 1.00 0.00 H new ATOM 0 HA ASP A 7 10.888 -0.526 10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.561 0.990 11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.535 -0.503 12.512 1.00 0.00 H new ATOM 98 N ASN A 8 12.012 2.042 11.193 1.00 0.00 N ATOM 99 CA ASN A 8 13.009 3.142 11.023 1.00 0.00 C ATOM 100 C ASN A 8 13.633 3.487 12.379 1.00 0.00 C ATOM 101 O ASN A 8 14.625 4.185 12.453 1.00 0.00 O ATOM 102 CB ASN A 8 12.306 4.379 10.455 1.00 0.00 C ATOM 103 CG ASN A 8 12.033 4.175 8.962 1.00 0.00 C ATOM 104 OD1 ASN A 8 12.716 3.414 8.307 1.00 0.00 O ATOM 105 ND2 ASN A 8 11.057 4.830 8.394 1.00 0.00 N ATOM 0 H ASN A 8 11.059 2.349 11.389 1.00 0.00 H new ATOM 0 HA ASN A 8 13.793 2.819 10.338 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.370 4.553 10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.926 5.263 10.604 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.868 4.703 7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.483 5.469 8.944 1.00 0.00 H new ATOM 112 N ARG A 9 13.056 3.005 13.452 1.00 0.00 N ATOM 113 CA ARG A 9 13.603 3.299 14.816 1.00 0.00 C ATOM 114 C ARG A 9 14.324 2.059 15.358 1.00 0.00 C ATOM 115 O ARG A 9 15.474 1.820 15.048 1.00 0.00 O ATOM 116 CB ARG A 9 12.448 3.681 15.749 1.00 0.00 C ATOM 117 CG ARG A 9 11.675 4.865 15.157 1.00 0.00 C ATOM 118 CD ARG A 9 12.594 6.085 15.020 1.00 0.00 C ATOM 119 NE ARG A 9 11.770 7.326 15.015 1.00 0.00 N ATOM 120 CZ ARG A 9 12.335 8.487 15.204 1.00 0.00 C ATOM 121 NH1 ARG A 9 13.624 8.561 15.399 1.00 0.00 N ATOM 122 NH2 ARG A 9 11.612 9.573 15.197 1.00 0.00 N ATOM 0 H ARG A 9 12.223 2.416 13.443 1.00 0.00 H new ATOM 0 HA ARG A 9 14.312 4.125 14.759 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.781 2.830 15.885 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.835 3.943 16.734 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.272 4.594 14.181 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.826 5.110 15.796 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.307 6.112 15.844 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.174 6.016 14.099 1.00 0.00 H new ATOM 0 HE ARG A 9 10.763 7.268 14.864 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.189 7.712 15.404 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.066 9.468 15.547 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.605 9.514 15.044 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.053 10.481 15.345 1.00 0.00 H new ATOM 136 N GLY A 10 13.669 1.263 16.166 1.00 0.00 N ATOM 137 CA GLY A 10 14.339 0.047 16.715 1.00 0.00 C ATOM 138 C GLY A 10 13.286 -0.980 17.137 1.00 0.00 C ATOM 139 O GLY A 10 13.581 -1.936 17.826 1.00 0.00 O ATOM 0 H GLY A 10 12.705 1.402 16.467 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.001 -0.385 15.964 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.960 0.317 17.569 1.00 0.00 H new ATOM 143 N ARG A 11 12.061 -0.794 16.730 1.00 0.00 N ATOM 144 CA ARG A 11 10.993 -1.764 17.107 1.00 0.00 C ATOM 145 C ARG A 11 11.004 -2.936 16.122 1.00 0.00 C ATOM 146 O ARG A 11 11.655 -2.885 15.097 1.00 0.00 O ATOM 147 CB ARG A 11 9.632 -1.050 17.078 1.00 0.00 C ATOM 148 CG ARG A 11 9.209 -0.706 15.619 1.00 0.00 C ATOM 149 CD ARG A 11 8.803 0.772 15.513 1.00 0.00 C ATOM 150 NE ARG A 11 7.710 1.061 16.478 1.00 0.00 N ATOM 151 CZ ARG A 11 7.422 2.296 16.786 1.00 0.00 C ATOM 152 NH1 ARG A 11 8.101 3.276 16.254 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.456 2.551 17.627 1.00 0.00 N ATOM 0 H ARG A 11 11.752 -0.012 16.152 1.00 0.00 H new ATOM 0 HA ARG A 11 11.171 -2.148 18.112 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.875 -1.685 17.539 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.685 -0.136 17.669 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.033 -0.913 14.936 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.377 -1.341 15.316 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.662 1.411 15.719 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.475 0.997 14.498 1.00 0.00 H new ATOM 0 HE ARG A 11 7.185 0.294 16.899 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.856 3.076 15.598 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.876 4.242 16.494 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.927 1.785 18.043 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.231 3.516 17.868 1.00 0.00 H new ATOM 167 N ILE A 12 10.292 -3.993 16.421 1.00 0.00 N ATOM 168 CA ILE A 12 10.264 -5.173 15.499 1.00 0.00 C ATOM 169 C ILE A 12 8.958 -5.181 14.704 1.00 0.00 C ATOM 170 O ILE A 12 7.880 -5.177 15.265 1.00 0.00 O ATOM 171 CB ILE A 12 10.336 -6.468 16.314 1.00 0.00 C ATOM 172 CG1 ILE A 12 11.515 -6.412 17.295 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.509 -7.657 15.363 1.00 0.00 C ATOM 174 CD1 ILE A 12 12.805 -6.044 16.557 1.00 0.00 C ATOM 0 H ILE A 12 9.727 -4.091 17.265 1.00 0.00 H new ATOM 0 HA ILE A 12 11.115 -5.105 14.821 1.00 0.00 H new ATOM 0 HB ILE A 12 9.413 -6.585 16.882 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.313 -5.678 18.075 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.633 -7.377 17.788 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.561 -8.580 15.940 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.661 -7.703 14.680 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.429 -7.535 14.791 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.632 -6.008 17.266 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.014 -6.793 15.793 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.689 -5.068 16.086 1.00 0.00 H new ATOM 186 N LEU A 13 9.041 -5.216 13.401 1.00 0.00 N ATOM 187 CA LEU A 13 7.800 -5.251 12.572 1.00 0.00 C ATOM 188 C LEU A 13 7.393 -6.713 12.372 1.00 0.00 C ATOM 189 O LEU A 13 8.225 -7.573 12.170 1.00 0.00 O ATOM 190 CB LEU A 13 8.073 -4.610 11.205 1.00 0.00 C ATOM 191 CG LEU A 13 8.102 -3.073 11.330 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.905 -2.482 10.168 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.674 -2.504 11.289 1.00 0.00 C ATOM 0 H LEU A 13 9.914 -5.222 12.874 1.00 0.00 H new ATOM 0 HA LEU A 13 7.003 -4.700 13.072 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.025 -4.968 10.812 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.302 -4.909 10.495 1.00 0.00 H new ATOM 0 HG LEU A 13 8.566 -2.809 12.280 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.926 -1.396 10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.924 -2.868 10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.438 -2.761 9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.712 -1.418 11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.202 -2.774 10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.094 -2.916 12.115 1.00 0.00 H new ATOM 205 N LYS A 14 6.121 -7.004 12.427 1.00 0.00 N ATOM 206 CA LYS A 14 5.672 -8.417 12.238 1.00 0.00 C ATOM 207 C LYS A 14 5.434 -8.671 10.747 1.00 0.00 C ATOM 208 O LYS A 14 5.190 -7.756 9.985 1.00 0.00 O ATOM 209 CB LYS A 14 4.365 -8.642 13.014 1.00 0.00 C ATOM 210 CG LYS A 14 4.668 -8.871 14.508 1.00 0.00 C ATOM 211 CD LYS A 14 4.969 -10.359 14.766 1.00 0.00 C ATOM 212 CE LYS A 14 5.786 -10.507 16.051 1.00 0.00 C ATOM 213 NZ LYS A 14 4.995 -9.994 17.206 1.00 0.00 N ATOM 0 H LYS A 14 5.375 -6.329 12.594 1.00 0.00 H new ATOM 0 HA LYS A 14 6.435 -9.102 12.608 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.710 -7.779 12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.835 -9.503 12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.519 -8.262 14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.818 -8.554 15.112 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.037 -10.919 14.850 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.519 -10.780 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.046 -11.553 16.211 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.722 -9.956 15.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.456 -10.276 18.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.942 -8.956 17.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.035 -10.391 17.173 1.00 0.00 H new ATOM 227 N THR A 15 5.501 -9.904 10.322 1.00 0.00 N ATOM 228 CA THR A 15 5.274 -10.202 8.879 1.00 0.00 C ATOM 229 C THR A 15 3.957 -9.565 8.439 1.00 0.00 C ATOM 230 O THR A 15 2.915 -9.815 9.015 1.00 0.00 O ATOM 231 CB THR A 15 5.206 -11.717 8.669 1.00 0.00 C ATOM 232 OG1 THR A 15 6.336 -12.327 9.278 1.00 0.00 O ATOM 233 CG2 THR A 15 5.200 -12.031 7.170 1.00 0.00 C ATOM 0 H THR A 15 5.702 -10.714 10.908 1.00 0.00 H new ATOM 0 HA THR A 15 6.095 -9.796 8.288 1.00 0.00 H new ATOM 0 HB THR A 15 4.293 -12.105 9.120 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.294 -13.297 9.147 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.152 -13.110 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.333 -11.563 6.704 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.111 -11.644 6.714 1.00 0.00 H new ATOM 241 N GLY A 16 3.997 -8.736 7.428 1.00 0.00 N ATOM 242 CA GLY A 16 2.755 -8.059 6.936 1.00 0.00 C ATOM 243 C GLY A 16 2.848 -6.563 7.238 1.00 0.00 C ATOM 244 O GLY A 16 2.270 -5.746 6.552 1.00 0.00 O ATOM 0 H GLY A 16 4.845 -8.495 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.638 -8.220 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.877 -8.486 7.420 1.00 0.00 H new ATOM 248 N GLU A 17 3.575 -6.199 8.263 1.00 0.00 N ATOM 249 CA GLU A 17 3.711 -4.753 8.617 1.00 0.00 C ATOM 250 C GLU A 17 4.928 -4.162 7.903 1.00 0.00 C ATOM 251 O GLU A 17 5.837 -4.867 7.512 1.00 0.00 O ATOM 252 CB GLU A 17 3.903 -4.616 10.130 1.00 0.00 C ATOM 253 CG GLU A 17 2.784 -5.361 10.860 1.00 0.00 C ATOM 254 CD GLU A 17 2.919 -5.135 12.367 1.00 0.00 C ATOM 255 OE1 GLU A 17 4.013 -5.314 12.877 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.927 -4.785 12.986 1.00 0.00 O ATOM 0 H GLU A 17 4.082 -6.842 8.872 1.00 0.00 H new ATOM 0 HA GLU A 17 2.811 -4.220 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.873 -5.020 10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.898 -3.563 10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.812 -5.009 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.835 -6.426 10.635 1.00 0.00 H new ATOM 263 N SER A 18 4.953 -2.868 7.734 1.00 0.00 N ATOM 264 CA SER A 18 6.108 -2.223 7.049 1.00 0.00 C ATOM 265 C SER A 18 5.912 -0.705 7.058 1.00 0.00 C ATOM 266 O SER A 18 5.103 -0.182 7.799 1.00 0.00 O ATOM 267 CB SER A 18 6.192 -2.722 5.605 1.00 0.00 C ATOM 268 OG SER A 18 4.892 -2.725 5.031 1.00 0.00 O ATOM 0 H SER A 18 4.221 -2.228 8.042 1.00 0.00 H new ATOM 0 HA SER A 18 7.032 -2.476 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.856 -2.081 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.615 -3.726 5.579 1.00 0.00 H new ATOM 0 HG SER A 18 4.944 -3.043 4.105 1.00 0.00 H new ATOM 274 N GLN A 19 6.643 0.008 6.241 1.00 0.00 N ATOM 275 CA GLN A 19 6.498 1.496 6.199 1.00 0.00 C ATOM 276 C GLN A 19 6.643 1.979 4.756 1.00 0.00 C ATOM 277 O GLN A 19 7.592 1.651 4.070 1.00 0.00 O ATOM 278 CB GLN A 19 7.572 2.147 7.078 1.00 0.00 C ATOM 279 CG GLN A 19 8.958 1.624 6.690 1.00 0.00 C ATOM 280 CD GLN A 19 9.987 2.092 7.719 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.602 2.852 8.708 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 11.153 1.764 7.624 1.00 0.00 N flip ATOM 0 H GLN A 19 7.336 -0.376 5.599 1.00 0.00 H new ATOM 0 HA GLN A 19 5.515 1.776 6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.539 3.231 6.964 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.374 1.931 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.947 0.535 6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.230 1.985 5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.454 1.170 6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.830 2.082 8.317 1.00 0.00 H new ATOM 291 N ARG A 20 5.702 2.751 4.285 1.00 0.00 N ATOM 292 CA ARG A 20 5.774 3.252 2.885 1.00 0.00 C ATOM 293 C ARG A 20 6.917 4.265 2.764 1.00 0.00 C ATOM 294 O ARG A 20 7.914 4.181 3.454 1.00 0.00 O ATOM 295 CB ARG A 20 4.434 3.918 2.512 1.00 0.00 C ATOM 296 CG ARG A 20 4.192 3.814 0.995 1.00 0.00 C ATOM 297 CD ARG A 20 3.206 4.898 0.549 1.00 0.00 C ATOM 298 NE ARG A 20 3.904 6.213 0.500 1.00 0.00 N ATOM 299 CZ ARG A 20 3.365 7.217 -0.135 1.00 0.00 C ATOM 300 NH1 ARG A 20 2.210 7.071 -0.725 1.00 0.00 N ATOM 301 NH2 ARG A 20 3.980 8.366 -0.180 1.00 0.00 N ATOM 0 H ARG A 20 4.884 3.057 4.812 1.00 0.00 H new ATOM 0 HA ARG A 20 5.962 2.421 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.618 3.437 3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.443 4.965 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.135 3.925 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.799 2.828 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.799 4.653 -0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.365 4.946 1.240 1.00 0.00 H new ATOM 0 HE ARG A 20 4.805 6.329 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.729 6.172 -0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.788 7.856 -1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.883 8.480 0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.558 9.151 -0.677 1.00 0.00 H new ATOM 315 N LYS A 21 6.779 5.220 1.884 1.00 0.00 N ATOM 316 CA LYS A 21 7.853 6.243 1.704 1.00 0.00 C ATOM 317 C LYS A 21 7.585 7.444 2.617 1.00 0.00 C ATOM 318 O LYS A 21 8.478 8.202 2.938 1.00 0.00 O ATOM 319 CB LYS A 21 7.863 6.708 0.244 1.00 0.00 C ATOM 320 CG LYS A 21 7.734 5.495 -0.696 1.00 0.00 C ATOM 321 CD LYS A 21 8.210 5.866 -2.119 1.00 0.00 C ATOM 322 CE LYS A 21 9.691 5.508 -2.293 1.00 0.00 C ATOM 323 NZ LYS A 21 10.514 6.279 -1.320 1.00 0.00 N ATOM 0 H LYS A 21 5.966 5.337 1.279 1.00 0.00 H new ATOM 0 HA LYS A 21 8.818 5.805 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.041 7.403 0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.787 7.247 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.326 4.664 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.697 5.160 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.611 5.337 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.063 6.932 -2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.837 4.439 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.011 5.730 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.513 6.249 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.190 7.267 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.415 5.860 -0.373 1.00 0.00 H new ATOM 337 N ASP A 22 6.360 7.628 3.030 1.00 0.00 N ATOM 338 CA ASP A 22 6.035 8.787 3.914 1.00 0.00 C ATOM 339 C ASP A 22 6.392 8.453 5.366 1.00 0.00 C ATOM 340 O ASP A 22 6.235 9.267 6.255 1.00 0.00 O ATOM 341 CB ASP A 22 4.541 9.095 3.816 1.00 0.00 C ATOM 342 CG ASP A 22 4.209 9.559 2.397 1.00 0.00 C ATOM 343 OD1 ASP A 22 5.104 10.055 1.733 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.065 9.411 1.998 1.00 0.00 O ATOM 0 H ASP A 22 5.570 7.027 2.794 1.00 0.00 H new ATOM 0 HA ASP A 22 6.612 9.655 3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.959 8.208 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.270 9.867 4.536 1.00 0.00 H new ATOM 349 N GLY A 23 6.876 7.266 5.617 1.00 0.00 N ATOM 350 CA GLY A 23 7.248 6.884 7.013 1.00 0.00 C ATOM 351 C GLY A 23 6.027 6.315 7.739 1.00 0.00 C ATOM 352 O GLY A 23 6.144 5.700 8.780 1.00 0.00 O ATOM 0 H GLY A 23 7.031 6.542 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.049 6.145 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.628 7.754 7.549 1.00 0.00 H new ATOM 356 N ARG A 24 4.856 6.512 7.199 1.00 0.00 N ATOM 357 CA ARG A 24 3.632 5.977 7.861 1.00 0.00 C ATOM 358 C ARG A 24 3.651 4.450 7.797 1.00 0.00 C ATOM 359 O ARG A 24 4.085 3.868 6.823 1.00 0.00 O ATOM 360 CB ARG A 24 2.390 6.497 7.134 1.00 0.00 C ATOM 361 CG ARG A 24 2.443 6.072 5.663 1.00 0.00 C ATOM 362 CD ARG A 24 1.447 6.901 4.849 1.00 0.00 C ATOM 363 NE ARG A 24 1.763 8.351 5.001 1.00 0.00 N ATOM 364 CZ ARG A 24 1.255 9.220 4.170 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.488 8.817 3.197 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.520 10.490 4.308 1.00 0.00 N ATOM 0 H ARG A 24 4.693 7.019 6.329 1.00 0.00 H new ATOM 0 HA ARG A 24 3.608 6.302 8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.489 6.104 7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.340 7.583 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.451 6.209 5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.208 5.012 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.494 6.616 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.430 6.702 5.188 1.00 0.00 H new ATOM 0 HE ARG A 24 2.376 8.663 5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.285 7.824 3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.090 9.495 2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.125 10.805 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.122 11.168 3.658 1.00 0.00 H new ATOM 380 N TYR A 25 3.187 3.793 8.825 1.00 0.00 N ATOM 381 CA TYR A 25 3.185 2.305 8.808 1.00 0.00 C ATOM 382 C TYR A 25 2.064 1.805 7.899 1.00 0.00 C ATOM 383 O TYR A 25 1.057 2.461 7.717 1.00 0.00 O ATOM 384 CB TYR A 25 2.954 1.761 10.223 1.00 0.00 C ATOM 385 CG TYR A 25 4.092 2.170 11.137 1.00 0.00 C ATOM 386 CD1 TYR A 25 5.402 1.753 10.861 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.835 2.957 12.269 1.00 0.00 C ATOM 388 CE1 TYR A 25 6.449 2.126 11.710 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.886 3.328 13.120 1.00 0.00 C ATOM 390 CZ TYR A 25 6.194 2.912 12.838 1.00 0.00 C ATOM 391 OH TYR A 25 7.234 3.270 13.677 1.00 0.00 O ATOM 0 H TYR A 25 2.811 4.221 9.671 1.00 0.00 H new ATOM 0 HA TYR A 25 4.150 1.958 8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.010 2.139 10.615 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.875 0.674 10.194 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.603 1.143 9.992 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.827 3.278 12.486 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.458 1.806 11.494 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.688 3.934 13.992 1.00 0.00 H new ATOM 0 HH TYR A 25 7.035 4.134 14.095 1.00 0.00 H new ATOM 401 N LEU A 26 2.225 0.636 7.340 1.00 0.00 N ATOM 402 CA LEU A 26 1.168 0.068 6.455 1.00 0.00 C ATOM 403 C LEU A 26 1.155 -1.450 6.638 1.00 0.00 C ATOM 404 O LEU A 26 2.190 -2.085 6.691 1.00 0.00 O ATOM 405 CB LEU A 26 1.447 0.469 4.985 1.00 0.00 C ATOM 406 CG LEU A 26 2.349 -0.565 4.263 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.540 -1.826 3.840 1.00 0.00 C ATOM 408 CD2 LEU A 26 2.973 0.100 3.023 1.00 0.00 C ATOM 0 H LEU A 26 3.049 0.047 7.459 1.00 0.00 H new ATOM 0 HA LEU A 26 0.186 0.462 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.502 0.563 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.926 1.448 4.961 1.00 0.00 H new ATOM 0 HG LEU A 26 3.131 -0.889 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.202 -2.531 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.113 -2.298 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.738 -1.533 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.610 -0.618 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.182 0.432 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.570 0.958 3.332 1.00 0.00 H new ATOM 420 N TYR A 27 -0.010 -2.030 6.761 1.00 0.00 N ATOM 421 CA TYR A 27 -0.115 -3.507 6.965 1.00 0.00 C ATOM 422 C TYR A 27 -0.826 -4.132 5.766 1.00 0.00 C ATOM 423 O TYR A 27 -2.009 -3.939 5.554 1.00 0.00 O ATOM 424 CB TYR A 27 -0.904 -3.762 8.251 1.00 0.00 C ATOM 425 CG TYR A 27 -1.302 -5.217 8.363 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.324 -6.194 8.581 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.650 -5.586 8.266 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.694 -7.538 8.700 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.018 -6.930 8.383 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.040 -7.907 8.601 1.00 0.00 C ATOM 431 OH TYR A 27 -2.404 -9.233 8.719 1.00 0.00 O ATOM 0 H TYR A 27 -0.903 -1.539 6.729 1.00 0.00 H new ATOM 0 HA TYR A 27 0.875 -3.955 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.301 -3.479 9.114 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.796 -3.135 8.265 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.715 -5.911 8.657 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.405 -4.832 8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.061 -8.292 8.869 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.057 -7.214 8.305 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.376 -9.315 8.627 1.00 0.00 H new ATOM 441 N LYS A 28 -0.099 -4.877 4.976 1.00 0.00 N ATOM 442 CA LYS A 28 -0.701 -5.533 3.780 1.00 0.00 C ATOM 443 C LYS A 28 -1.146 -6.948 4.164 1.00 0.00 C ATOM 444 O LYS A 28 -0.461 -7.645 4.886 1.00 0.00 O ATOM 445 CB LYS A 28 0.358 -5.597 2.663 1.00 0.00 C ATOM 446 CG LYS A 28 -0.315 -5.548 1.281 1.00 0.00 C ATOM 447 CD LYS A 28 0.653 -6.080 0.201 1.00 0.00 C ATOM 448 CE LYS A 28 0.362 -5.413 -1.152 1.00 0.00 C ATOM 449 NZ LYS A 28 0.863 -6.286 -2.252 1.00 0.00 N ATOM 0 H LYS A 28 0.895 -5.060 5.110 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.563 -4.967 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.054 -4.764 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.941 -6.513 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.226 -6.146 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.607 -4.525 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.683 -5.882 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.549 -7.161 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.709 -5.246 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.844 -4.436 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.667 -5.836 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.888 -6.424 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.384 -7.208 -2.209 1.00 0.00 H new ATOM 463 N TYR A 29 -2.275 -7.385 3.682 1.00 0.00 N ATOM 464 CA TYR A 29 -2.739 -8.762 4.021 1.00 0.00 C ATOM 465 C TYR A 29 -3.665 -9.276 2.916 1.00 0.00 C ATOM 466 O TYR A 29 -4.502 -8.559 2.403 1.00 0.00 O ATOM 467 CB TYR A 29 -3.459 -8.751 5.379 1.00 0.00 C ATOM 468 CG TYR A 29 -4.866 -8.213 5.246 1.00 0.00 C ATOM 469 CD1 TYR A 29 -5.909 -9.069 4.875 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.130 -6.863 5.511 1.00 0.00 C ATOM 471 CE1 TYR A 29 -7.215 -8.578 4.769 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.435 -6.370 5.401 1.00 0.00 C ATOM 473 CZ TYR A 29 -7.478 -7.228 5.032 1.00 0.00 C ATOM 474 OH TYR A 29 -8.767 -6.746 4.932 1.00 0.00 O ATOM 0 H TYR A 29 -2.895 -6.853 3.071 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.881 -9.430 4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.490 -9.762 5.786 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.898 -8.140 6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.706 -10.110 4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.326 -6.202 5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.020 -9.240 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.638 -5.328 5.601 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.757 -5.769 5.005 1.00 0.00 H new ATOM 484 N ILE A 30 -3.507 -10.513 2.540 1.00 0.00 N ATOM 485 CA ILE A 30 -4.357 -11.088 1.461 1.00 0.00 C ATOM 486 C ILE A 30 -5.740 -11.420 2.030 1.00 0.00 C ATOM 487 O ILE A 30 -5.865 -12.125 3.012 1.00 0.00 O ATOM 488 CB ILE A 30 -3.682 -12.358 0.922 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.165 -12.141 0.870 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.199 -12.680 -0.483 1.00 0.00 C ATOM 491 CD1 ILE A 30 -1.833 -10.874 0.082 1.00 0.00 C ATOM 0 H ILE A 30 -2.821 -11.155 2.936 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.474 -10.371 0.648 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.916 -13.193 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.768 -12.062 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.684 -13.002 0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.712 -13.582 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.277 -12.839 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.977 -11.848 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.752 -10.735 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.212 -10.968 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.297 -10.014 0.564 1.00 0.00 H new ATOM 503 N ASP A 31 -6.780 -10.909 1.426 1.00 0.00 N ATOM 504 CA ASP A 31 -8.151 -11.186 1.940 1.00 0.00 C ATOM 505 C ASP A 31 -8.632 -12.550 1.435 1.00 0.00 C ATOM 506 O ASP A 31 -7.861 -13.351 0.945 1.00 0.00 O ATOM 507 CB ASP A 31 -9.106 -10.096 1.447 1.00 0.00 C ATOM 508 CG ASP A 31 -9.064 -10.031 -0.080 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.506 -10.937 -0.677 1.00 0.00 O ATOM 510 OD2 ASP A 31 -9.591 -9.077 -0.627 1.00 0.00 O ATOM 0 H ASP A 31 -6.738 -10.312 0.600 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.132 -11.194 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.121 -10.307 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.824 -9.132 1.870 1.00 0.00 H new ATOM 515 N SER A 32 -9.903 -12.821 1.565 1.00 0.00 N ATOM 516 CA SER A 32 -10.444 -14.134 1.109 1.00 0.00 C ATOM 517 C SER A 32 -10.647 -14.119 -0.408 1.00 0.00 C ATOM 518 O SER A 32 -11.070 -15.093 -0.998 1.00 0.00 O ATOM 519 CB SER A 32 -11.785 -14.383 1.799 1.00 0.00 C ATOM 520 OG SER A 32 -12.497 -13.156 1.894 1.00 0.00 O ATOM 0 H SER A 32 -10.592 -12.187 1.969 1.00 0.00 H new ATOM 0 HA SER A 32 -9.739 -14.926 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.367 -15.112 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.624 -14.802 2.792 1.00 0.00 H new ATOM 0 HG SER A 32 -13.359 -13.311 2.334 1.00 0.00 H new ATOM 526 N PHE A 33 -10.355 -13.022 -1.040 1.00 0.00 N ATOM 527 CA PHE A 33 -10.533 -12.931 -2.520 1.00 0.00 C ATOM 528 C PHE A 33 -9.213 -13.286 -3.206 1.00 0.00 C ATOM 529 O PHE A 33 -9.193 -13.800 -4.307 1.00 0.00 O ATOM 530 CB PHE A 33 -10.926 -11.493 -2.884 1.00 0.00 C ATOM 531 CG PHE A 33 -12.413 -11.295 -2.673 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.328 -11.967 -3.492 1.00 0.00 C ATOM 533 CD2 PHE A 33 -12.874 -10.442 -1.662 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.704 -11.786 -3.301 1.00 0.00 C ATOM 535 CE2 PHE A 33 -14.249 -10.263 -1.470 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.164 -10.934 -2.290 1.00 0.00 C ATOM 0 H PHE A 33 -9.998 -12.176 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.311 -13.621 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.366 -10.787 -2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.667 -11.288 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.973 -12.625 -4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.169 -9.922 -1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.410 -12.304 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -14.604 -9.607 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.225 -10.794 -2.143 1.00 0.00 H new ATOM 546 N GLY A 34 -8.113 -13.009 -2.561 1.00 0.00 N ATOM 547 CA GLY A 34 -6.776 -13.317 -3.157 1.00 0.00 C ATOM 548 C GLY A 34 -6.136 -12.015 -3.632 1.00 0.00 C ATOM 549 O GLY A 34 -5.119 -12.018 -4.296 1.00 0.00 O ATOM 0 H GLY A 34 -8.080 -12.578 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.138 -13.804 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.886 -14.010 -3.991 1.00 0.00 H new ATOM 553 N GLU A 35 -6.735 -10.898 -3.296 1.00 0.00 N ATOM 554 CA GLU A 35 -6.183 -9.572 -3.721 1.00 0.00 C ATOM 555 C GLU A 35 -5.605 -8.836 -2.494 1.00 0.00 C ATOM 556 O GLU A 35 -6.342 -8.482 -1.596 1.00 0.00 O ATOM 557 CB GLU A 35 -7.319 -8.733 -4.312 1.00 0.00 C ATOM 558 CG GLU A 35 -8.100 -9.569 -5.330 1.00 0.00 C ATOM 559 CD GLU A 35 -7.155 -10.034 -6.441 1.00 0.00 C ATOM 560 OE1 GLU A 35 -6.335 -9.239 -6.867 1.00 0.00 O ATOM 561 OE2 GLU A 35 -7.270 -11.179 -6.848 1.00 0.00 O ATOM 0 H GLU A 35 -7.589 -10.847 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.397 -9.721 -4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.984 -8.393 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.915 -7.842 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.552 -10.430 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.914 -8.980 -5.753 1.00 0.00 H new ATOM 568 N PRO A 36 -4.309 -8.593 -2.442 1.00 0.00 N ATOM 569 CA PRO A 36 -3.684 -7.880 -1.287 1.00 0.00 C ATOM 570 C PRO A 36 -4.505 -6.664 -0.838 1.00 0.00 C ATOM 571 O PRO A 36 -4.963 -5.884 -1.650 1.00 0.00 O ATOM 572 CB PRO A 36 -2.322 -7.446 -1.836 1.00 0.00 C ATOM 573 CG PRO A 36 -1.967 -8.496 -2.837 1.00 0.00 C ATOM 574 CD PRO A 36 -3.293 -8.960 -3.454 1.00 0.00 C ATOM 0 HA PRO A 36 -3.617 -8.512 -0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.377 -6.460 -2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.576 -7.386 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.300 -8.097 -3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.446 -9.327 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.483 -8.467 -4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.290 -10.033 -3.645 1.00 0.00 H new ATOM 582 N GLN A 37 -4.689 -6.501 0.451 1.00 0.00 N ATOM 583 CA GLN A 37 -5.477 -5.338 0.977 1.00 0.00 C ATOM 584 C GLN A 37 -4.558 -4.451 1.824 1.00 0.00 C ATOM 585 O GLN A 37 -3.802 -4.931 2.646 1.00 0.00 O ATOM 586 CB GLN A 37 -6.631 -5.862 1.840 1.00 0.00 C ATOM 587 CG GLN A 37 -7.673 -4.754 2.034 1.00 0.00 C ATOM 588 CD GLN A 37 -8.897 -5.323 2.752 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.383 -4.691 3.784 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 -9.415 -6.354 2.371 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.324 -7.129 1.168 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.880 -4.755 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.091 -6.728 1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.254 -6.193 2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.246 -3.936 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.964 -4.341 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.034 -6.848 1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.230 -6.726 2.858 1.00 0.00 H new ATOM 599 N PHE A 38 -4.604 -3.160 1.615 1.00 0.00 N ATOM 600 CA PHE A 38 -3.720 -2.233 2.390 1.00 0.00 C ATOM 601 C PHE A 38 -4.463 -1.644 3.597 1.00 0.00 C ATOM 602 O PHE A 38 -5.647 -1.374 3.556 1.00 0.00 O ATOM 603 CB PHE A 38 -3.288 -1.068 1.474 1.00 0.00 C ATOM 604 CG PHE A 38 -2.001 -1.391 0.752 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.028 -2.177 -0.401 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.784 -0.878 1.220 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.846 -2.452 -1.086 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.402 -1.158 0.535 1.00 0.00 C ATOM 609 CZ PHE A 38 0.371 -1.944 -0.620 1.00 0.00 C ATOM 0 H PHE A 38 -5.217 -2.705 0.939 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.857 -2.797 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.074 -0.862 0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.158 -0.163 2.068 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.966 -2.572 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.762 -0.266 2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.870 -3.059 -1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.341 -0.767 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.286 -2.159 -1.152 1.00 0.00 H new ATOM 619 N VAL A 39 -3.733 -1.390 4.648 1.00 0.00 N ATOM 620 CA VAL A 39 -4.306 -0.750 5.867 1.00 0.00 C ATOM 621 C VAL A 39 -3.248 0.242 6.354 1.00 0.00 C ATOM 622 O VAL A 39 -2.174 -0.145 6.772 1.00 0.00 O ATOM 623 CB VAL A 39 -4.589 -1.802 6.944 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.354 -1.155 8.104 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.436 -2.928 6.344 1.00 0.00 C ATOM 0 H VAL A 39 -2.738 -1.605 4.714 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.252 -0.254 5.650 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.646 -2.208 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.555 -1.904 8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.755 -0.351 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.297 -0.749 7.737 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.639 -3.678 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.378 -2.519 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.895 -3.389 5.518 1.00 0.00 H new ATOM 635 N TYR A 40 -3.510 1.521 6.248 1.00 0.00 N ATOM 636 CA TYR A 40 -2.482 2.537 6.642 1.00 0.00 C ATOM 637 C TYR A 40 -2.741 3.082 8.048 1.00 0.00 C ATOM 638 O TYR A 40 -3.831 3.000 8.580 1.00 0.00 O ATOM 639 CB TYR A 40 -2.536 3.707 5.655 1.00 0.00 C ATOM 640 CG TYR A 40 -1.994 3.286 4.309 1.00 0.00 C ATOM 641 CD1 TYR A 40 -0.625 3.405 4.036 1.00 0.00 C ATOM 642 CD2 TYR A 40 -2.862 2.795 3.328 1.00 0.00 C ATOM 643 CE1 TYR A 40 -0.126 3.028 2.783 1.00 0.00 C ATOM 644 CE2 TYR A 40 -2.363 2.422 2.074 1.00 0.00 C ATOM 645 CZ TYR A 40 -0.995 2.538 1.801 1.00 0.00 C ATOM 646 OH TYR A 40 -0.504 2.173 0.562 1.00 0.00 O ATOM 0 H TYR A 40 -4.390 1.907 5.906 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.506 2.053 6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.564 4.054 5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.956 4.545 6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.045 3.787 4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.917 2.704 3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.930 3.115 2.574 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.034 2.044 1.317 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.421 1.198 0.517 1.00 0.00 H new ATOM 656 N SER A 41 -1.723 3.655 8.634 1.00 0.00 N ATOM 657 CA SER A 41 -1.839 4.243 9.997 1.00 0.00 C ATOM 658 C SER A 41 -0.521 4.946 10.326 1.00 0.00 C ATOM 659 O SER A 41 0.499 4.669 9.727 1.00 0.00 O ATOM 660 CB SER A 41 -2.099 3.141 11.024 1.00 0.00 C ATOM 661 OG SER A 41 -0.943 2.323 11.136 1.00 0.00 O ATOM 0 H SER A 41 -0.797 3.741 8.214 1.00 0.00 H new ATOM 0 HA SER A 41 -2.668 4.950 10.028 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.344 3.580 11.991 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.956 2.540 10.721 1.00 0.00 H new ATOM 0 HG SER A 41 -0.519 2.473 12.007 1.00 0.00 H new ATOM 667 N TRP A 42 -0.526 5.856 11.267 1.00 0.00 N ATOM 668 CA TRP A 42 0.735 6.582 11.626 1.00 0.00 C ATOM 669 C TRP A 42 1.332 5.983 12.903 1.00 0.00 C ATOM 670 O TRP A 42 2.535 5.903 13.053 1.00 0.00 O ATOM 671 CB TRP A 42 0.413 8.065 11.863 1.00 0.00 C ATOM 672 CG TRP A 42 0.326 8.795 10.558 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.814 9.280 10.014 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.402 9.141 9.637 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.506 9.903 8.817 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.846 9.844 8.542 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.791 8.917 9.645 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.639 10.308 7.492 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.594 9.382 8.588 1.00 0.00 C ATOM 680 CH2 TRP A 42 3.018 10.076 7.515 1.00 0.00 C ATOM 0 H TRP A 42 -1.349 6.129 11.804 1.00 0.00 H new ATOM 0 HA TRP A 42 1.454 6.484 10.812 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.530 8.157 12.402 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.184 8.516 12.489 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.801 9.195 10.443 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.194 10.351 8.212 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.244 8.384 10.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.191 10.843 6.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.659 9.204 8.603 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.639 10.432 6.706 1.00 0.00 H new ATOM 691 N LYS A 43 0.507 5.576 13.833 1.00 0.00 N ATOM 692 CA LYS A 43 1.044 5.002 15.105 1.00 0.00 C ATOM 693 C LYS A 43 1.173 3.483 14.992 1.00 0.00 C ATOM 694 O LYS A 43 0.336 2.821 14.411 1.00 0.00 O ATOM 695 CB LYS A 43 0.082 5.282 16.277 1.00 0.00 C ATOM 696 CG LYS A 43 -0.542 6.680 16.200 1.00 0.00 C ATOM 697 CD LYS A 43 -1.683 6.730 17.223 1.00 0.00 C ATOM 698 CE LYS A 43 -2.264 8.135 17.327 1.00 0.00 C ATOM 699 NZ LYS A 43 -1.227 9.069 17.849 1.00 0.00 N ATOM 0 H LYS A 43 -0.510 5.615 13.768 1.00 0.00 H new ATOM 0 HA LYS A 43 2.015 5.465 15.283 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.710 4.533 16.280 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.621 5.179 17.219 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.203 7.445 16.418 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.918 6.878 15.196 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.466 6.030 16.934 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.315 6.412 18.199 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.609 8.470 16.349 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.131 8.133 17.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.536 10.050 17.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.089 8.901 18.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.331 8.908 17.347 1.00 0.00 H new ATOM 713 N LEU A 44 2.170 2.917 15.615 1.00 0.00 N ATOM 714 CA LEU A 44 2.288 1.436 15.618 1.00 0.00 C ATOM 715 C LEU A 44 1.435 0.966 16.790 1.00 0.00 C ATOM 716 O LEU A 44 0.923 -0.132 16.818 1.00 0.00 O ATOM 717 CB LEU A 44 3.750 1.012 15.829 1.00 0.00 C ATOM 718 CG LEU A 44 3.832 -0.510 16.043 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.152 -1.245 14.877 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.303 -0.934 16.129 1.00 0.00 C ATOM 0 H LEU A 44 2.904 3.415 16.119 1.00 0.00 H new ATOM 0 HA LEU A 44 1.961 1.004 14.672 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.349 1.299 14.964 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.167 1.532 16.692 1.00 0.00 H new ATOM 0 HG LEU A 44 3.321 -0.768 16.971 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.216 -2.321 15.039 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.105 -0.948 14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.653 -0.988 13.943 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.363 -2.012 16.281 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.813 -0.669 15.203 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.781 -0.423 16.965 1.00 0.00 H new ATOM 732 N VAL A 45 1.267 1.836 17.751 1.00 0.00 N ATOM 733 CA VAL A 45 0.434 1.525 18.946 1.00 0.00 C ATOM 734 C VAL A 45 -0.249 2.823 19.373 1.00 0.00 C ATOM 735 O VAL A 45 0.263 3.901 19.150 1.00 0.00 O ATOM 736 CB VAL A 45 1.324 0.967 20.068 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.386 0.049 19.459 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.016 2.112 20.826 1.00 0.00 C ATOM 0 H VAL A 45 1.682 2.768 17.756 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.318 0.769 18.721 1.00 0.00 H new ATOM 0 HB VAL A 45 0.702 0.408 20.767 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.020 -0.349 20.251 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.899 -0.774 18.936 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.997 0.615 18.756 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.642 1.699 21.617 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.635 2.684 20.135 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.262 2.766 21.264 1.00 0.00 H new ATOM 748 N ALA A 46 -1.407 2.744 19.952 1.00 0.00 N ATOM 749 CA ALA A 46 -2.104 3.993 20.341 1.00 0.00 C ATOM 750 C ALA A 46 -1.415 4.628 21.544 1.00 0.00 C ATOM 751 O ALA A 46 -1.962 4.723 22.625 1.00 0.00 O ATOM 752 CB ALA A 46 -3.565 3.691 20.646 1.00 0.00 C ATOM 0 H ALA A 46 -1.898 1.877 20.172 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.062 4.703 19.515 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.075 4.611 20.932 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.042 3.272 19.760 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.625 2.974 21.465 1.00 0.00 H new ATOM 758 N THR A 47 -0.211 5.082 21.338 1.00 0.00 N ATOM 759 CA THR A 47 0.563 5.746 22.422 1.00 0.00 C ATOM 760 C THR A 47 1.486 6.778 21.775 1.00 0.00 C ATOM 761 O THR A 47 1.772 7.820 22.331 1.00 0.00 O ATOM 762 CB THR A 47 1.395 4.713 23.184 1.00 0.00 C ATOM 763 OG1 THR A 47 0.590 3.578 23.471 1.00 0.00 O ATOM 764 CG2 THR A 47 1.893 5.328 24.491 1.00 0.00 C ATOM 0 H THR A 47 0.279 5.019 20.445 1.00 0.00 H new ATOM 0 HA THR A 47 -0.114 6.227 23.127 1.00 0.00 H new ATOM 0 HB THR A 47 2.248 4.410 22.576 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.122 2.914 23.958 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.486 4.594 25.036 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.508 6.201 24.271 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.040 5.629 25.100 1.00 0.00 H new ATOM 772 N ASP A 48 1.940 6.489 20.585 1.00 0.00 N ATOM 773 CA ASP A 48 2.832 7.428 19.860 1.00 0.00 C ATOM 774 C ASP A 48 2.049 8.709 19.528 1.00 0.00 C ATOM 775 O ASP A 48 1.165 9.104 20.262 1.00 0.00 O ATOM 776 CB ASP A 48 3.301 6.740 18.575 1.00 0.00 C ATOM 777 CG ASP A 48 4.209 5.561 18.933 1.00 0.00 C ATOM 778 OD1 ASP A 48 5.163 5.775 19.663 1.00 0.00 O ATOM 779 OD2 ASP A 48 3.936 4.467 18.470 1.00 0.00 O ATOM 0 H ASP A 48 1.725 5.629 20.081 1.00 0.00 H new ATOM 0 HA ASP A 48 3.696 7.695 20.469 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.442 6.391 18.002 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.838 7.449 17.945 1.00 0.00 H new ATOM 784 N ARG A 49 2.363 9.363 18.436 1.00 0.00 N ATOM 785 CA ARG A 49 1.635 10.621 18.067 1.00 0.00 C ATOM 786 C ARG A 49 1.402 10.653 16.553 1.00 0.00 C ATOM 787 O ARG A 49 1.509 9.647 15.883 1.00 0.00 O ATOM 788 CB ARG A 49 2.480 11.836 18.474 1.00 0.00 C ATOM 789 CG ARG A 49 2.528 11.977 20.023 1.00 0.00 C ATOM 790 CD ARG A 49 2.313 13.438 20.434 1.00 0.00 C ATOM 791 NE ARG A 49 3.470 14.261 19.980 1.00 0.00 N ATOM 792 CZ ARG A 49 3.377 15.562 19.958 1.00 0.00 C ATOM 793 NH1 ARG A 49 2.272 16.145 20.338 1.00 0.00 N ATOM 794 NH2 ARG A 49 4.389 16.282 19.559 1.00 0.00 N ATOM 0 H ARG A 49 3.093 9.081 17.782 1.00 0.00 H new ATOM 0 HA ARG A 49 0.676 10.650 18.584 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.491 11.730 18.082 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.061 12.741 18.034 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.761 11.349 20.476 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.490 11.625 20.397 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.390 13.817 19.996 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.205 13.510 21.516 1.00 0.00 H new ATOM 0 HE ARG A 49 4.335 13.807 19.686 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.481 15.583 20.652 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.200 17.162 20.321 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.253 15.828 19.264 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.316 17.299 19.542 1.00 0.00 H new ATOM 808 N VAL A 50 1.093 11.807 16.010 1.00 0.00 N ATOM 809 CA VAL A 50 0.852 11.914 14.536 1.00 0.00 C ATOM 810 C VAL A 50 1.105 13.369 14.086 1.00 0.00 C ATOM 811 O VAL A 50 0.486 14.281 14.598 1.00 0.00 O ATOM 812 CB VAL A 50 -0.608 11.552 14.214 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.867 10.086 14.566 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.564 12.450 15.017 1.00 0.00 C ATOM 0 H VAL A 50 0.997 12.682 16.526 1.00 0.00 H new ATOM 0 HA VAL A 50 1.523 11.231 14.016 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.783 11.706 13.149 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.902 9.834 14.336 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.201 9.449 13.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.683 9.929 15.629 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.595 12.186 14.782 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.387 12.308 16.083 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.388 13.494 14.756 1.00 0.00 H new ATOM 824 N PRO A 51 1.994 13.606 13.140 1.00 0.00 N ATOM 825 CA PRO A 51 2.276 14.989 12.654 1.00 0.00 C ATOM 826 C PRO A 51 0.999 15.809 12.462 1.00 0.00 C ATOM 827 O PRO A 51 0.012 15.332 11.947 1.00 0.00 O ATOM 828 CB PRO A 51 2.984 14.761 11.314 1.00 0.00 C ATOM 829 CG PRO A 51 3.684 13.448 11.468 1.00 0.00 C ATOM 830 CD PRO A 51 2.829 12.610 12.431 1.00 0.00 C ATOM 0 HA PRO A 51 2.870 15.560 13.368 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.271 14.735 10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.690 15.563 11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.787 12.948 10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.690 13.588 11.864 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.215 11.888 11.892 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.450 12.045 13.126 1.00 0.00 H new ATOM 838 N ALA A 52 1.018 17.042 12.873 1.00 0.00 N ATOM 839 CA ALA A 52 -0.185 17.900 12.712 1.00 0.00 C ATOM 840 C ALA A 52 -0.610 17.916 11.238 1.00 0.00 C ATOM 841 O ALA A 52 0.201 17.750 10.348 1.00 0.00 O ATOM 842 CB ALA A 52 0.160 19.314 13.174 1.00 0.00 C ATOM 0 H ALA A 52 1.818 17.495 13.315 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.009 17.510 13.310 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.713 19.957 13.062 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.462 19.291 14.221 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.978 19.705 12.569 1.00 0.00 H new ATOM 848 N GLY A 53 -1.874 18.121 10.971 1.00 0.00 N ATOM 849 CA GLY A 53 -2.350 18.154 9.552 1.00 0.00 C ATOM 850 C GLY A 53 -2.777 16.749 9.114 1.00 0.00 C ATOM 851 O GLY A 53 -3.472 16.581 8.131 1.00 0.00 O ATOM 0 H GLY A 53 -2.599 18.267 11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.188 18.845 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.557 18.522 8.901 1.00 0.00 H new ATOM 855 N LYS A 54 -2.369 15.742 9.835 1.00 0.00 N ATOM 856 CA LYS A 54 -2.746 14.347 9.469 1.00 0.00 C ATOM 857 C LYS A 54 -4.096 14.010 10.112 1.00 0.00 C ATOM 858 O LYS A 54 -4.443 14.536 11.150 1.00 0.00 O ATOM 859 CB LYS A 54 -1.666 13.395 10.000 1.00 0.00 C ATOM 860 CG LYS A 54 -0.446 13.388 9.061 1.00 0.00 C ATOM 861 CD LYS A 54 -0.025 14.827 8.703 1.00 0.00 C ATOM 862 CE LYS A 54 1.322 14.823 7.960 1.00 0.00 C ATOM 863 NZ LYS A 54 2.020 16.116 8.204 1.00 0.00 N ATOM 0 H LYS A 54 -1.786 15.826 10.668 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.827 14.245 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.361 13.703 11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.072 12.387 10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.385 12.869 9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.684 12.837 8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.789 15.292 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.055 15.426 9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.938 13.993 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.161 14.679 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.150 16.616 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.449 16.703 8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.948 15.933 8.636 1.00 0.00 H new ATOM 877 N ARG A 55 -4.858 13.134 9.510 1.00 0.00 N ATOM 878 CA ARG A 55 -6.177 12.773 10.107 1.00 0.00 C ATOM 879 C ARG A 55 -5.938 11.775 11.242 1.00 0.00 C ATOM 880 O ARG A 55 -5.303 10.756 11.063 1.00 0.00 O ATOM 881 CB ARG A 55 -7.090 12.129 9.039 1.00 0.00 C ATOM 882 CG ARG A 55 -7.787 13.206 8.161 1.00 0.00 C ATOM 883 CD ARG A 55 -7.039 13.383 6.836 1.00 0.00 C ATOM 884 NE ARG A 55 -7.034 12.092 6.094 1.00 0.00 N ATOM 885 CZ ARG A 55 -6.747 12.071 4.822 1.00 0.00 C ATOM 886 NH1 ARG A 55 -6.457 13.180 4.199 1.00 0.00 N ATOM 887 NH2 ARG A 55 -6.749 10.939 4.172 1.00 0.00 N ATOM 0 H ARG A 55 -4.626 12.657 8.639 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.665 13.671 10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.500 11.468 8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.844 11.512 9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.819 12.913 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.820 14.155 8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.517 14.158 6.237 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.017 13.711 7.024 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.255 11.223 6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.455 14.065 4.707 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.233 13.162 3.204 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.975 10.072 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.525 10.922 3.177 1.00 0.00 H new ATOM 901 N ASP A 56 -6.438 12.067 12.410 1.00 0.00 N ATOM 902 CA ASP A 56 -6.233 11.142 13.558 1.00 0.00 C ATOM 903 C ASP A 56 -6.757 9.751 13.206 1.00 0.00 C ATOM 904 O ASP A 56 -7.740 9.598 12.508 1.00 0.00 O ATOM 905 CB ASP A 56 -6.978 11.674 14.784 1.00 0.00 C ATOM 906 CG ASP A 56 -6.492 13.088 15.104 1.00 0.00 C ATOM 907 OD1 ASP A 56 -5.349 13.385 14.796 1.00 0.00 O ATOM 908 OD2 ASP A 56 -7.271 13.851 15.652 1.00 0.00 O ATOM 0 H ASP A 56 -6.979 12.906 12.619 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.168 11.078 13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.052 11.681 14.595 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.809 11.018 15.638 1.00 0.00 H new ATOM 913 N ALA A 57 -6.102 8.735 13.693 1.00 0.00 N ATOM 914 CA ALA A 57 -6.540 7.340 13.407 1.00 0.00 C ATOM 915 C ALA A 57 -6.065 6.440 14.545 1.00 0.00 C ATOM 916 O ALA A 57 -5.133 6.763 15.253 1.00 0.00 O ATOM 917 CB ALA A 57 -5.915 6.865 12.089 1.00 0.00 C ATOM 0 H ALA A 57 -5.273 8.812 14.283 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.626 7.300 13.323 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.236 5.844 11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.236 7.519 11.278 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.828 6.894 12.170 1.00 0.00 H new ATOM 923 N ILE A 58 -6.681 5.307 14.719 1.00 0.00 N ATOM 924 CA ILE A 58 -6.238 4.398 15.800 1.00 0.00 C ATOM 925 C ILE A 58 -4.923 3.761 15.372 1.00 0.00 C ATOM 926 O ILE A 58 -4.525 3.856 14.228 1.00 0.00 O ATOM 927 CB ILE A 58 -7.285 3.304 16.018 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.377 2.416 14.764 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.645 3.944 16.288 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.591 1.465 14.839 1.00 0.00 C ATOM 0 H ILE A 58 -7.468 4.975 14.161 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.110 4.953 16.729 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.994 2.694 16.873 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.458 3.043 13.876 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.462 1.833 14.660 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.390 3.164 16.443 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.583 4.569 17.179 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.934 4.557 15.435 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.629 0.851 13.939 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.496 0.821 15.713 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.507 2.050 14.918 1.00 0.00 H new ATOM 942 N SER A 59 -4.248 3.100 16.261 1.00 0.00 N ATOM 943 CA SER A 59 -2.974 2.458 15.864 1.00 0.00 C ATOM 944 C SER A 59 -3.290 1.298 14.928 1.00 0.00 C ATOM 945 O SER A 59 -4.370 0.744 14.954 1.00 0.00 O ATOM 946 CB SER A 59 -2.245 1.948 17.110 1.00 0.00 C ATOM 947 OG SER A 59 -2.401 0.537 17.219 1.00 0.00 O ATOM 0 H SER A 59 -4.520 2.977 17.236 1.00 0.00 H new ATOM 0 HA SER A 59 -2.331 3.176 15.356 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.187 2.202 17.052 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.642 2.436 18.000 1.00 0.00 H new ATOM 0 HG SER A 59 -2.382 0.278 18.164 1.00 0.00 H new ATOM 953 N LEU A 60 -2.365 0.929 14.099 1.00 0.00 N ATOM 954 CA LEU A 60 -2.630 -0.189 13.164 1.00 0.00 C ATOM 955 C LEU A 60 -3.062 -1.424 13.978 1.00 0.00 C ATOM 956 O LEU A 60 -3.906 -2.194 13.561 1.00 0.00 O ATOM 957 CB LEU A 60 -1.337 -0.490 12.364 1.00 0.00 C ATOM 958 CG LEU A 60 -1.619 -0.524 10.857 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.293 -0.623 10.098 1.00 0.00 C ATOM 960 CD2 LEU A 60 -2.505 -1.724 10.511 1.00 0.00 C ATOM 0 H LEU A 60 -1.439 1.351 14.027 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.425 0.072 12.466 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.586 0.270 12.580 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.923 -1.447 12.682 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.140 0.389 10.569 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.488 -0.648 9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.327 0.242 10.334 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.228 -1.534 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.698 -1.737 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.999 -2.645 10.800 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.450 -1.646 11.049 1.00 0.00 H new ATOM 972 N ARG A 61 -2.473 -1.617 15.130 1.00 0.00 N ATOM 973 CA ARG A 61 -2.822 -2.795 15.975 1.00 0.00 C ATOM 974 C ARG A 61 -4.328 -2.806 16.283 1.00 0.00 C ATOM 975 O ARG A 61 -4.920 -3.857 16.430 1.00 0.00 O ATOM 976 CB ARG A 61 -1.996 -2.729 17.283 1.00 0.00 C ATOM 977 CG ARG A 61 -0.834 -3.734 17.241 1.00 0.00 C ATOM 978 CD ARG A 61 0.144 -3.349 16.129 1.00 0.00 C ATOM 979 NE ARG A 61 1.412 -4.149 16.255 1.00 0.00 N ATOM 980 CZ ARG A 61 2.158 -4.096 17.327 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.916 -3.219 18.263 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.185 -4.894 17.440 1.00 0.00 N ATOM 0 H ARG A 61 -1.760 -1.003 15.523 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.585 -3.716 15.441 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.607 -1.721 17.423 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.639 -2.944 18.137 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.319 -3.749 18.202 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.217 -4.740 17.069 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.312 -3.527 15.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.370 -2.284 16.185 1.00 0.00 H new ATOM 0 HE ARG A 61 1.698 -4.750 15.482 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.139 -2.567 18.162 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.504 -3.186 19.096 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.402 -5.555 16.694 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.770 -4.857 18.274 1.00 0.00 H new ATOM 996 N GLU A 62 -4.963 -1.668 16.377 1.00 0.00 N ATOM 997 CA GLU A 62 -6.424 -1.680 16.665 1.00 0.00 C ATOM 998 C GLU A 62 -7.156 -2.103 15.391 1.00 0.00 C ATOM 999 O GLU A 62 -8.055 -2.921 15.422 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.882 -0.293 17.116 1.00 0.00 C ATOM 1001 CG GLU A 62 -6.466 -0.064 18.572 1.00 0.00 C ATOM 1002 CD GLU A 62 -6.994 1.290 19.049 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -8.164 1.558 18.830 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.219 2.037 19.626 1.00 0.00 O ATOM 0 H GLU A 62 -4.541 -0.746 16.269 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.647 -2.382 17.469 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.442 0.472 16.477 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.964 -0.206 17.018 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.859 -0.862 19.203 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.380 -0.094 18.660 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.752 -1.586 14.261 1.00 0.00 N ATOM 1012 CA LYS A 63 -7.402 -1.999 12.988 1.00 0.00 C ATOM 1013 C LYS A 63 -7.139 -3.489 12.793 1.00 0.00 C ATOM 1014 O LYS A 63 -8.046 -4.296 12.798 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.804 -1.208 11.816 1.00 0.00 C ATOM 1016 CG LYS A 63 -7.329 0.229 11.854 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.906 0.980 10.588 1.00 0.00 C ATOM 1018 CE LYS A 63 -7.513 2.392 10.598 1.00 0.00 C ATOM 1019 NZ LYS A 63 -8.897 2.339 10.046 1.00 0.00 N ATOM 0 H LYS A 63 -6.004 -0.899 14.167 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.473 -1.802 13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.716 -1.211 11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.071 -1.680 10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.416 0.225 11.937 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.944 0.742 12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.819 1.041 10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.238 0.437 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.530 2.786 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.898 3.068 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.310 3.294 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.868 1.980 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.480 1.706 10.630 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.890 -3.845 12.644 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.496 -5.278 12.462 1.00 0.00 C ATOM 1035 C ILE A 64 -6.358 -6.183 13.355 1.00 0.00 C ATOM 1036 O ILE A 64 -6.842 -7.213 12.930 1.00 0.00 O ATOM 1037 CB ILE A 64 -4.000 -5.408 12.845 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.127 -4.966 11.659 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.629 -6.852 13.219 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.727 -4.590 12.156 1.00 0.00 C ATOM 0 H ILE A 64 -5.108 -3.190 12.640 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.649 -5.587 11.428 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.825 -4.772 13.713 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.059 -5.770 10.926 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.585 -4.114 11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.572 -6.900 13.481 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.229 -7.173 14.071 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.823 -7.509 12.371 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.113 -4.278 11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.803 -3.772 12.872 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.268 -5.453 12.639 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.531 -5.811 14.588 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.333 -6.649 15.524 1.00 0.00 C ATOM 1054 C ALA A 65 -8.730 -6.903 14.963 1.00 0.00 C ATOM 1055 O ALA A 65 -9.264 -7.988 15.086 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.449 -5.935 16.871 1.00 0.00 C ATOM 0 H ALA A 65 -6.150 -4.956 14.994 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.830 -7.608 15.651 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.035 -6.546 17.557 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.454 -5.777 17.286 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.941 -4.972 16.731 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.341 -5.923 14.359 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.709 -6.149 13.817 1.00 0.00 C ATOM 1064 C GLU A 66 -10.623 -6.997 12.546 1.00 0.00 C ATOM 1065 O GLU A 66 -11.536 -7.730 12.217 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.374 -4.807 13.498 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.211 -3.847 14.685 1.00 0.00 C ATOM 1068 CD GLU A 66 -12.269 -2.742 14.609 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -13.379 -2.980 15.054 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -11.950 -1.677 14.106 1.00 0.00 O ATOM 0 H GLU A 66 -8.959 -4.988 14.218 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.307 -6.673 14.563 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.926 -4.373 12.604 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.432 -4.958 13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.310 -4.394 15.623 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.213 -3.409 14.675 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.535 -6.912 11.829 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.403 -7.724 10.585 1.00 0.00 C ATOM 1079 C LEU A 67 -9.331 -9.203 10.960 1.00 0.00 C ATOM 1080 O LEU A 67 -9.853 -10.053 10.267 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.135 -7.317 9.834 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.026 -5.791 9.810 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.834 -5.373 8.943 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.314 -5.190 9.235 1.00 0.00 C ATOM 0 H LEU A 67 -8.735 -6.318 12.049 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.265 -7.552 9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.258 -7.748 10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.161 -7.707 8.816 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.880 -5.426 10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.759 -4.286 8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.918 -5.794 9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.976 -5.741 7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.233 -4.103 9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.465 -5.557 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.161 -5.482 9.856 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.703 -9.520 12.061 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.624 -10.948 12.477 1.00 0.00 C ATOM 1098 C GLN A 68 -9.950 -11.325 13.138 1.00 0.00 C ATOM 1099 O GLN A 68 -10.564 -12.318 12.801 1.00 0.00 O ATOM 1100 CB GLN A 68 -7.473 -11.139 13.480 1.00 0.00 C ATOM 1101 CG GLN A 68 -6.116 -11.149 12.751 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.639 -9.713 12.530 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -5.398 -8.995 13.479 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -5.492 -9.265 11.313 1.00 0.00 N ATOM 0 H GLN A 68 -8.245 -8.856 12.685 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.438 -11.582 11.610 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.490 -10.337 14.218 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.608 -12.075 14.023 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.381 -11.700 13.338 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.210 -11.663 11.794 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.695 -9.871 10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.174 -8.309 11.157 1.00 0.00 H new