USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=14 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 -167:sc= -1.81! USER MOD Set 1.2: A 37 GLN : amide:sc= -2.89! C(o=-4.7!,f=-8.2!) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.816 K(o=-0.82,f=-3.8!) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.81! C(o=-2.8!,f=-9.5!) USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= -0.049 (180deg=-0.51) 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 -2:sc= 0.866! USER MOD Single : A 40 TYR OH : rot 156:sc= 0.263 USER MOD Single : A 41 SER OG : rot 90:sc= -0.391 USER MOD Single : A 43 LYS NZ :NH3+ -126:sc= 0.602 (180deg=-0.00975) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -132:sc= -0.259 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.21) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.397 -4.191 9.871 1.00 0.00 N ATOM 63 CA ARG A 6 12.549 -3.378 11.120 1.00 0.00 C ATOM 64 C ARG A 6 11.821 -2.042 10.941 1.00 0.00 C ATOM 65 O ARG A 6 11.550 -1.617 9.836 1.00 0.00 O ATOM 66 CB ARG A 6 14.042 -3.118 11.369 1.00 0.00 C ATOM 67 CG ARG A 6 14.260 -2.474 12.769 1.00 0.00 C ATOM 68 CD ARG A 6 15.239 -3.315 13.600 1.00 0.00 C ATOM 69 NE ARG A 6 16.498 -3.517 12.830 1.00 0.00 N ATOM 70 CZ ARG A 6 17.572 -3.940 13.438 1.00 0.00 C ATOM 71 NH1 ARG A 6 17.542 -4.185 14.718 1.00 0.00 N ATOM 72 NH2 ARG A 6 18.676 -4.118 12.764 1.00 0.00 N ATOM 0 HA ARG A 6 12.124 -3.914 11.968 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.596 -4.055 11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.436 -2.460 10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.648 -1.462 12.654 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.307 -2.393 13.291 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.454 -2.815 14.544 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.791 -4.278 13.844 1.00 0.00 H new ATOM 0 HE ARG A 6 16.520 -3.325 11.829 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.679 -4.046 15.244 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.381 -4.516 15.194 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.699 -3.926 11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.516 -4.449 13.239 1.00 0.00 H new ATOM 86 N ASP A 7 11.492 -1.379 12.019 1.00 0.00 N ATOM 87 CA ASP A 7 10.772 -0.076 11.904 1.00 0.00 C ATOM 88 C ASP A 7 11.766 1.050 11.616 1.00 0.00 C ATOM 89 O ASP A 7 12.890 0.820 11.216 1.00 0.00 O ATOM 90 CB ASP A 7 10.051 0.222 13.221 1.00 0.00 C ATOM 91 CG ASP A 7 11.085 0.476 14.321 1.00 0.00 C ATOM 92 OD1 ASP A 7 12.261 0.288 14.061 1.00 0.00 O ATOM 93 OD2 ASP A 7 10.680 0.846 15.407 1.00 0.00 O ATOM 0 H ASP A 7 11.690 -1.683 12.972 1.00 0.00 H new ATOM 0 HA ASP A 7 10.052 -0.139 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.405 1.092 13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.410 -0.616 13.495 1.00 0.00 H new ATOM 98 N ASN A 8 11.351 2.270 11.828 1.00 0.00 N ATOM 99 CA ASN A 8 12.254 3.431 11.581 1.00 0.00 C ATOM 100 C ASN A 8 13.076 3.718 12.842 1.00 0.00 C ATOM 101 O ASN A 8 14.007 4.498 12.817 1.00 0.00 O ATOM 102 CB ASN A 8 11.410 4.660 11.228 1.00 0.00 C ATOM 103 CG ASN A 8 10.190 4.726 12.148 1.00 0.00 C ATOM 104 OD1 ASN A 8 10.327 4.843 13.350 1.00 0.00 O ATOM 105 ND2 ASN A 8 8.994 4.654 11.632 1.00 0.00 N ATOM 0 H ASN A 8 10.419 2.514 12.164 1.00 0.00 H new ATOM 0 HA ASN A 8 12.929 3.201 10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.007 5.566 11.333 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.091 4.608 10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.174 4.696 12.237 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.879 4.556 10.623 1.00 0.00 H new ATOM 112 N ARG A 9 12.739 3.093 13.948 1.00 0.00 N ATOM 113 CA ARG A 9 13.502 3.326 15.218 1.00 0.00 C ATOM 114 C ARG A 9 14.455 2.152 15.461 1.00 0.00 C ATOM 115 O ARG A 9 15.583 2.163 15.011 1.00 0.00 O ATOM 116 CB ARG A 9 12.522 3.454 16.392 1.00 0.00 C ATOM 117 CG ARG A 9 11.902 4.863 16.403 1.00 0.00 C ATOM 118 CD ARG A 9 12.968 5.927 16.754 1.00 0.00 C ATOM 119 NE ARG A 9 12.409 6.903 17.745 1.00 0.00 N ATOM 120 CZ ARG A 9 11.230 7.443 17.576 1.00 0.00 C ATOM 121 NH1 ARG A 9 10.560 7.235 16.476 1.00 0.00 N ATOM 122 NH2 ARG A 9 10.736 8.222 18.500 1.00 0.00 N ATOM 0 H ARG A 9 11.967 2.431 14.025 1.00 0.00 H new ATOM 0 HA ARG A 9 14.079 4.247 15.134 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.737 2.702 16.306 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.041 3.268 17.332 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.469 5.083 15.427 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.089 4.902 17.128 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.854 5.444 17.166 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.282 6.451 15.851 1.00 0.00 H new ATOM 0 HE ARG A 9 12.959 7.151 18.567 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.955 6.648 15.741 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.641 7.659 16.351 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.269 8.407 19.350 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.817 8.645 18.372 1.00 0.00 H new ATOM 136 N GLY A 10 14.027 1.140 16.170 1.00 0.00 N ATOM 137 CA GLY A 10 14.948 -0.006 16.418 1.00 0.00 C ATOM 138 C GLY A 10 14.186 -1.224 16.951 1.00 0.00 C ATOM 139 O GLY A 10 14.785 -2.177 17.406 1.00 0.00 O ATOM 0 H GLY A 10 13.097 1.058 16.581 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.461 -0.271 15.493 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.715 0.289 17.134 1.00 0.00 H new ATOM 143 N ARG A 11 12.879 -1.222 16.899 1.00 0.00 N ATOM 144 CA ARG A 11 12.124 -2.407 17.407 1.00 0.00 C ATOM 145 C ARG A 11 12.066 -3.458 16.294 1.00 0.00 C ATOM 146 O ARG A 11 12.807 -3.392 15.337 1.00 0.00 O ATOM 147 CB ARG A 11 10.705 -1.983 17.836 1.00 0.00 C ATOM 148 CG ARG A 11 9.761 -1.886 16.626 1.00 0.00 C ATOM 149 CD ARG A 11 8.565 -0.993 16.970 1.00 0.00 C ATOM 150 NE ARG A 11 9.021 0.418 17.085 1.00 0.00 N ATOM 151 CZ ARG A 11 8.150 1.390 17.106 1.00 0.00 C ATOM 152 NH1 ARG A 11 6.875 1.124 17.031 1.00 0.00 N ATOM 153 NH2 ARG A 11 8.553 2.627 17.201 1.00 0.00 N ATOM 0 H ARG A 11 12.307 -0.461 16.532 1.00 0.00 H new ATOM 0 HA ARG A 11 12.625 -2.829 18.278 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.309 -2.703 18.552 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.749 -1.020 18.344 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.296 -1.478 15.768 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.415 -2.880 16.343 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.800 -1.078 16.199 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.111 -1.318 17.906 1.00 0.00 H new ATOM 0 HE ARG A 11 10.017 0.627 17.148 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.559 0.157 16.956 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.194 1.883 17.047 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.550 2.836 17.259 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.871 3.386 17.217 1.00 0.00 H new ATOM 167 N ILE A 12 11.191 -4.421 16.406 1.00 0.00 N ATOM 168 CA ILE A 12 11.075 -5.472 15.342 1.00 0.00 C ATOM 169 C ILE A 12 9.592 -5.739 15.079 1.00 0.00 C ATOM 170 O ILE A 12 8.864 -6.148 15.961 1.00 0.00 O ATOM 171 CB ILE A 12 11.729 -6.784 15.806 1.00 0.00 C ATOM 172 CG1 ILE A 12 13.256 -6.602 15.991 1.00 0.00 C ATOM 173 CG2 ILE A 12 11.446 -7.885 14.772 1.00 0.00 C ATOM 174 CD1 ILE A 12 14.003 -6.772 14.658 1.00 0.00 C ATOM 0 H ILE A 12 10.547 -4.529 17.190 1.00 0.00 H new ATOM 0 HA ILE A 12 11.577 -5.120 14.440 1.00 0.00 H new ATOM 0 HB ILE A 12 11.305 -7.070 16.769 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.460 -5.613 16.401 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.626 -7.329 16.714 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.908 -8.817 15.097 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.369 -8.027 14.677 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.859 -7.593 13.807 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.072 -6.638 14.821 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.818 -7.771 14.262 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.649 -6.028 13.945 1.00 0.00 H new ATOM 186 N LEU A 13 9.136 -5.528 13.873 1.00 0.00 N ATOM 187 CA LEU A 13 7.702 -5.793 13.572 1.00 0.00 C ATOM 188 C LEU A 13 7.549 -7.259 13.172 1.00 0.00 C ATOM 189 O LEU A 13 8.512 -7.925 12.847 1.00 0.00 O ATOM 190 CB LEU A 13 7.219 -4.916 12.411 1.00 0.00 C ATOM 191 CG LEU A 13 7.658 -3.450 12.611 1.00 0.00 C ATOM 192 CD1 LEU A 13 9.128 -3.242 12.174 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.738 -2.539 11.782 1.00 0.00 C ATOM 0 H LEU A 13 9.691 -5.186 13.089 1.00 0.00 H new ATOM 0 HA LEU A 13 7.108 -5.566 14.457 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.621 -5.295 11.471 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.133 -4.968 12.338 1.00 0.00 H new ATOM 0 HG LEU A 13 7.583 -3.202 13.670 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.409 -2.200 12.326 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.778 -3.884 12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.233 -3.496 11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.039 -1.500 11.915 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.815 -2.807 10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.707 -2.664 12.114 1.00 0.00 H new ATOM 205 N LYS A 14 6.348 -7.770 13.182 1.00 0.00 N ATOM 206 CA LYS A 14 6.142 -9.196 12.790 1.00 0.00 C ATOM 207 C LYS A 14 5.866 -9.259 11.285 1.00 0.00 C ATOM 208 O LYS A 14 5.520 -8.270 10.671 1.00 0.00 O ATOM 209 CB LYS A 14 4.942 -9.767 13.556 1.00 0.00 C ATOM 210 CG LYS A 14 5.322 -10.003 15.032 1.00 0.00 C ATOM 211 CD LYS A 14 5.974 -11.390 15.203 1.00 0.00 C ATOM 212 CE LYS A 14 6.883 -11.390 16.436 1.00 0.00 C ATOM 213 NZ LYS A 14 7.282 -12.789 16.758 1.00 0.00 N ATOM 0 H LYS A 14 5.502 -7.264 13.444 1.00 0.00 H new ATOM 0 HA LYS A 14 7.031 -9.780 13.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.100 -9.078 13.495 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.621 -10.704 13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.010 -9.227 15.366 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.433 -9.932 15.659 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.203 -12.153 15.309 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.552 -11.642 14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.768 -10.782 16.249 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.364 -10.944 17.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.899 -12.790 17.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.432 -13.356 16.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.793 -13.199 15.950 1.00 0.00 H new ATOM 227 N THR A 15 6.012 -10.410 10.681 1.00 0.00 N ATOM 228 CA THR A 15 5.750 -10.517 9.215 1.00 0.00 C ATOM 229 C THR A 15 4.414 -9.848 8.892 1.00 0.00 C ATOM 230 O THR A 15 3.590 -9.634 9.760 1.00 0.00 O ATOM 231 CB THR A 15 5.699 -11.994 8.804 1.00 0.00 C ATOM 232 OG1 THR A 15 6.998 -12.558 8.920 1.00 0.00 O ATOM 233 CG2 THR A 15 5.215 -12.114 7.354 1.00 0.00 C ATOM 0 H THR A 15 6.300 -11.276 11.137 1.00 0.00 H new ATOM 0 HA THR A 15 6.550 -10.021 8.665 1.00 0.00 H new ATOM 0 HB THR A 15 5.008 -12.528 9.456 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.969 -13.502 8.660 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.181 -13.165 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.218 -11.681 7.266 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.901 -11.581 6.696 1.00 0.00 H new ATOM 241 N GLY A 16 4.191 -9.516 7.651 1.00 0.00 N ATOM 242 CA GLY A 16 2.905 -8.862 7.273 1.00 0.00 C ATOM 243 C GLY A 16 3.032 -7.345 7.440 1.00 0.00 C ATOM 244 O GLY A 16 2.676 -6.584 6.561 1.00 0.00 O ATOM 0 H GLY A 16 4.843 -9.669 6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.652 -9.104 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.096 -9.240 7.897 1.00 0.00 H new ATOM 248 N GLU A 17 3.522 -6.896 8.567 1.00 0.00 N ATOM 249 CA GLU A 17 3.651 -5.422 8.800 1.00 0.00 C ATOM 250 C GLU A 17 5.010 -4.924 8.280 1.00 0.00 C ATOM 251 O GLU A 17 5.970 -5.665 8.213 1.00 0.00 O ATOM 252 CB GLU A 17 3.536 -5.119 10.314 1.00 0.00 C ATOM 253 CG GLU A 17 2.759 -6.230 11.026 1.00 0.00 C ATOM 254 CD GLU A 17 1.382 -6.387 10.387 1.00 0.00 C ATOM 255 OE1 GLU A 17 0.725 -5.380 10.192 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.007 -7.513 10.101 1.00 0.00 O ATOM 0 H GLU A 17 3.839 -7.485 9.337 1.00 0.00 H new ATOM 0 HA GLU A 17 2.852 -4.909 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.531 -5.027 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.034 -4.163 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.309 -7.169 10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.654 -5.992 12.085 1.00 0.00 H new ATOM 263 N SER A 18 5.089 -3.667 7.926 1.00 0.00 N ATOM 264 CA SER A 18 6.374 -3.100 7.422 1.00 0.00 C ATOM 265 C SER A 18 6.168 -1.620 7.075 1.00 0.00 C ATOM 266 O SER A 18 5.095 -1.214 6.672 1.00 0.00 O ATOM 267 CB SER A 18 6.821 -3.864 6.174 1.00 0.00 C ATOM 268 OG SER A 18 5.691 -4.115 5.349 1.00 0.00 O ATOM 0 H SER A 18 4.313 -3.006 7.965 1.00 0.00 H new ATOM 0 HA SER A 18 7.141 -3.193 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.565 -3.286 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.294 -4.804 6.459 1.00 0.00 H new ATOM 0 HG SER A 18 5.973 -4.603 4.547 1.00 0.00 H new ATOM 274 N GLN A 19 7.182 -0.809 7.226 1.00 0.00 N ATOM 275 CA GLN A 19 7.030 0.642 6.903 1.00 0.00 C ATOM 276 C GLN A 19 7.211 0.857 5.400 1.00 0.00 C ATOM 277 O GLN A 19 7.915 0.122 4.737 1.00 0.00 O ATOM 278 CB GLN A 19 8.076 1.458 7.672 1.00 0.00 C ATOM 279 CG GLN A 19 9.483 1.012 7.272 1.00 0.00 C ATOM 280 CD GLN A 19 10.513 1.769 8.110 1.00 0.00 C ATOM 281 OE1 GLN A 19 10.733 1.446 9.258 1.00 0.00 O ATOM 282 NE2 GLN A 19 11.159 2.772 7.580 1.00 0.00 N ATOM 0 H GLN A 19 8.106 -1.086 7.558 1.00 0.00 H new ATOM 0 HA GLN A 19 6.033 0.972 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.948 2.520 7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.935 1.327 8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.593 -0.062 7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.649 1.203 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.975 3.044 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.848 3.283 8.131 1.00 0.00 H new ATOM 291 N ARG A 20 6.572 1.860 4.854 1.00 0.00 N ATOM 292 CA ARG A 20 6.694 2.130 3.389 1.00 0.00 C ATOM 293 C ARG A 20 7.770 3.193 3.151 1.00 0.00 C ATOM 294 O ARG A 20 8.801 3.208 3.795 1.00 0.00 O ATOM 295 CB ARG A 20 5.337 2.622 2.850 1.00 0.00 C ATOM 296 CG ARG A 20 5.199 2.268 1.364 1.00 0.00 C ATOM 297 CD ARG A 20 3.946 2.933 0.792 1.00 0.00 C ATOM 298 NE ARG A 20 4.119 4.413 0.802 1.00 0.00 N ATOM 299 CZ ARG A 20 3.326 5.167 0.092 1.00 0.00 C ATOM 300 NH1 ARG A 20 2.391 4.624 -0.639 1.00 0.00 N ATOM 301 NH2 ARG A 20 3.471 6.464 0.108 1.00 0.00 N ATOM 0 H ARG A 20 5.968 2.506 5.362 1.00 0.00 H new ATOM 0 HA ARG A 20 6.979 1.216 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.525 2.166 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.253 3.700 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.081 2.601 0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.137 1.187 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.769 2.584 -0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.072 2.654 1.381 1.00 0.00 H new ATOM 0 HE ARG A 20 4.857 4.836 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.280 3.610 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.771 5.214 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.205 6.888 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.851 7.053 -0.447 1.00 0.00 H new ATOM 315 N LYS A 21 7.537 4.075 2.220 1.00 0.00 N ATOM 316 CA LYS A 21 8.537 5.142 1.912 1.00 0.00 C ATOM 317 C LYS A 21 8.207 6.412 2.702 1.00 0.00 C ATOM 318 O LYS A 21 9.074 7.209 2.999 1.00 0.00 O ATOM 319 CB LYS A 21 8.488 5.448 0.411 1.00 0.00 C ATOM 320 CG LYS A 21 8.833 4.180 -0.387 1.00 0.00 C ATOM 321 CD LYS A 21 8.273 4.284 -1.812 1.00 0.00 C ATOM 322 CE LYS A 21 8.768 5.570 -2.477 1.00 0.00 C ATOM 323 NZ LYS A 21 10.252 5.655 -2.360 1.00 0.00 N ATOM 0 H LYS A 21 6.690 4.105 1.653 1.00 0.00 H new ATOM 0 HA LYS A 21 9.533 4.800 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.496 5.805 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.192 6.244 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.914 4.046 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.419 3.304 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.584 3.419 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.183 4.275 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.475 5.585 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.306 6.437 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.638 6.147 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.503 6.181 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.652 4.696 -2.309 1.00 0.00 H new ATOM 337 N ASP A 22 6.962 6.612 3.038 1.00 0.00 N ATOM 338 CA ASP A 22 6.578 7.836 3.801 1.00 0.00 C ATOM 339 C ASP A 22 6.819 7.616 5.297 1.00 0.00 C ATOM 340 O ASP A 22 6.398 8.402 6.123 1.00 0.00 O ATOM 341 CB ASP A 22 5.098 8.135 3.563 1.00 0.00 C ATOM 342 CG ASP A 22 4.849 8.326 2.067 1.00 0.00 C ATOM 343 OD1 ASP A 22 5.677 7.881 1.289 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.835 8.911 1.724 1.00 0.00 O ATOM 0 H ASP A 22 6.192 5.980 2.817 1.00 0.00 H new ATOM 0 HA ASP A 22 7.184 8.676 3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.486 7.317 3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.805 9.032 4.108 1.00 0.00 H new ATOM 349 N GLY A 23 7.485 6.554 5.655 1.00 0.00 N ATOM 350 CA GLY A 23 7.741 6.289 7.097 1.00 0.00 C ATOM 351 C GLY A 23 6.456 5.780 7.747 1.00 0.00 C ATOM 352 O GLY A 23 6.447 5.356 8.885 1.00 0.00 O ATOM 0 H GLY A 23 7.863 5.859 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.536 5.552 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.078 7.199 7.593 1.00 0.00 H new ATOM 356 N ARG A 24 5.368 5.818 7.027 1.00 0.00 N ATOM 357 CA ARG A 24 4.079 5.339 7.595 1.00 0.00 C ATOM 358 C ARG A 24 4.127 3.826 7.773 1.00 0.00 C ATOM 359 O ARG A 24 4.725 3.118 6.988 1.00 0.00 O ATOM 360 CB ARG A 24 2.938 5.660 6.631 1.00 0.00 C ATOM 361 CG ARG A 24 2.846 7.165 6.410 1.00 0.00 C ATOM 362 CD ARG A 24 1.882 7.440 5.256 1.00 0.00 C ATOM 363 NE ARG A 24 1.825 8.905 5.005 1.00 0.00 N ATOM 364 CZ ARG A 24 1.285 9.359 3.912 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.819 8.528 3.024 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.213 10.644 3.706 1.00 0.00 N ATOM 0 H ARG A 24 5.318 6.161 6.068 1.00 0.00 H new ATOM 0 HA ARG A 24 3.917 5.832 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.103 5.154 5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.996 5.285 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.498 7.658 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.831 7.573 6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.212 6.918 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.889 7.061 5.498 1.00 0.00 H new ATOM 0 HE ARG A 24 2.210 9.555 5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.878 7.523 3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.395 8.883 2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.580 11.293 4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.790 11.000 2.849 1.00 0.00 H new ATOM 380 N TYR A 25 3.469 3.317 8.774 1.00 0.00 N ATOM 381 CA TYR A 25 3.450 1.846 8.958 1.00 0.00 C ATOM 382 C TYR A 25 2.476 1.272 7.928 1.00 0.00 C ATOM 383 O TYR A 25 1.383 1.778 7.757 1.00 0.00 O ATOM 384 CB TYR A 25 2.989 1.502 10.377 1.00 0.00 C ATOM 385 CG TYR A 25 4.103 1.814 11.354 1.00 0.00 C ATOM 386 CD1 TYR A 25 5.305 1.095 11.298 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.938 2.822 12.313 1.00 0.00 C ATOM 388 CE1 TYR A 25 6.338 1.382 12.199 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.972 3.110 13.214 1.00 0.00 C ATOM 390 CZ TYR A 25 6.172 2.390 13.156 1.00 0.00 C ATOM 391 OH TYR A 25 7.193 2.674 14.043 1.00 0.00 O ATOM 0 H TYR A 25 2.947 3.853 9.467 1.00 0.00 H new ATOM 0 HA TYR A 25 4.445 1.424 8.819 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.096 2.074 10.631 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.720 0.448 10.439 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.435 0.318 10.559 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.013 3.378 12.358 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.263 0.826 12.155 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.844 3.887 13.953 1.00 0.00 H new ATOM 0 HH TYR A 25 6.916 3.400 14.639 1.00 0.00 H new ATOM 401 N LEU A 26 2.870 0.240 7.222 1.00 0.00 N ATOM 402 CA LEU A 26 1.979 -0.356 6.172 1.00 0.00 C ATOM 403 C LEU A 26 1.772 -1.836 6.460 1.00 0.00 C ATOM 404 O LEU A 26 2.684 -2.542 6.845 1.00 0.00 O ATOM 405 CB LEU A 26 2.641 -0.189 4.793 1.00 0.00 C ATOM 406 CG LEU A 26 1.694 -0.686 3.661 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.843 0.206 2.424 1.00 0.00 C ATOM 408 CD2 LEU A 26 2.035 -2.131 3.258 1.00 0.00 C ATOM 0 H LEU A 26 3.775 -0.219 7.327 1.00 0.00 H new ATOM 0 HA LEU A 26 1.014 0.151 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.892 0.859 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.576 -0.749 4.763 1.00 0.00 H new ATOM 0 HG LEU A 26 0.672 -0.644 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.177 -0.149 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.584 1.233 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.874 0.169 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.361 -2.457 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.064 -2.176 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.923 -2.786 4.122 1.00 0.00 H new ATOM 420 N TYR A 27 0.568 -2.309 6.272 1.00 0.00 N ATOM 421 CA TYR A 27 0.261 -3.747 6.526 1.00 0.00 C ATOM 422 C TYR A 27 -0.562 -4.292 5.360 1.00 0.00 C ATOM 423 O TYR A 27 -1.745 -4.025 5.234 1.00 0.00 O ATOM 424 CB TYR A 27 -0.519 -3.859 7.839 1.00 0.00 C ATOM 425 CG TYR A 27 -1.128 -5.236 7.993 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.304 -6.364 7.996 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.511 -5.383 8.157 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.857 -7.638 8.159 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.067 -6.656 8.320 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.240 -7.785 8.321 1.00 0.00 C ATOM 431 OH TYR A 27 -2.787 -9.041 8.483 1.00 0.00 O ATOM 0 H TYR A 27 -0.224 -1.753 5.950 1.00 0.00 H new ATOM 0 HA TYR A 27 1.179 -4.329 6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.145 -3.655 8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.306 -3.105 7.864 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.763 -6.252 7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.149 -4.512 8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.218 -8.508 8.160 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.134 -6.768 8.445 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.759 -8.964 8.583 1.00 0.00 H new ATOM 441 N LYS A 28 0.071 -5.047 4.502 1.00 0.00 N ATOM 442 CA LYS A 28 -0.635 -5.637 3.331 1.00 0.00 C ATOM 443 C LYS A 28 -1.132 -7.031 3.721 1.00 0.00 C ATOM 444 O LYS A 28 -0.429 -7.786 4.363 1.00 0.00 O ATOM 445 CB LYS A 28 0.353 -5.741 2.154 1.00 0.00 C ATOM 446 CG LYS A 28 -0.390 -5.620 0.814 1.00 0.00 C ATOM 447 CD LYS A 28 0.490 -6.175 -0.326 1.00 0.00 C ATOM 448 CE LYS A 28 0.135 -5.487 -1.648 1.00 0.00 C ATOM 449 NZ LYS A 28 0.695 -6.274 -2.784 1.00 0.00 N ATOM 0 H LYS A 28 1.061 -5.282 4.565 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.480 -5.015 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.104 -4.955 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.882 -6.693 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.331 -6.169 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.638 -4.577 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.543 -6.014 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.345 -7.251 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.947 -5.404 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.535 -4.473 -1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.454 -5.807 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.729 -6.331 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.293 -7.233 -2.774 1.00 0.00 H new ATOM 463 N TYR A 29 -2.326 -7.388 3.344 1.00 0.00 N ATOM 464 CA TYR A 29 -2.830 -8.744 3.708 1.00 0.00 C ATOM 465 C TYR A 29 -3.925 -9.180 2.731 1.00 0.00 C ATOM 466 O TYR A 29 -4.893 -8.482 2.506 1.00 0.00 O ATOM 467 CB TYR A 29 -3.372 -8.727 5.143 1.00 0.00 C ATOM 468 CG TYR A 29 -4.702 -8.011 5.202 1.00 0.00 C ATOM 469 CD1 TYR A 29 -5.888 -8.728 5.009 1.00 0.00 C ATOM 470 CD2 TYR A 29 -4.748 -6.636 5.456 1.00 0.00 C ATOM 471 CE1 TYR A 29 -7.122 -8.070 5.074 1.00 0.00 C ATOM 472 CE2 TYR A 29 -5.982 -5.978 5.517 1.00 0.00 C ATOM 473 CZ TYR A 29 -7.169 -6.695 5.327 1.00 0.00 C ATOM 474 OH TYR A 29 -8.386 -6.047 5.392 1.00 0.00 O ATOM 0 H TYR A 29 -2.970 -6.809 2.806 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.009 -9.458 3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.487 -9.748 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.658 -8.233 5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.851 -9.789 4.810 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.832 -6.083 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.038 -8.624 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.018 -4.916 5.711 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.242 -5.078 5.367 1.00 0.00 H new ATOM 484 N ILE A 30 -3.772 -10.341 2.163 1.00 0.00 N ATOM 485 CA ILE A 30 -4.790 -10.857 1.209 1.00 0.00 C ATOM 486 C ILE A 30 -6.099 -11.097 1.967 1.00 0.00 C ATOM 487 O ILE A 30 -6.149 -11.869 2.903 1.00 0.00 O ATOM 488 CB ILE A 30 -4.275 -12.173 0.609 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.783 -12.038 0.282 1.00 0.00 C ATOM 490 CG2 ILE A 30 -5.038 -12.512 -0.671 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.537 -10.791 -0.564 1.00 0.00 C ATOM 0 H ILE A 30 -2.977 -10.961 2.320 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.968 -10.140 0.408 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.427 -12.970 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.205 -11.980 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.440 -12.923 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.660 -13.448 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.099 -12.617 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.900 -11.713 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.474 -10.708 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.100 -10.866 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.862 -9.908 -0.014 1.00 0.00 H new ATOM 503 N ASP A 31 -7.156 -10.431 1.583 1.00 0.00 N ATOM 504 CA ASP A 31 -8.448 -10.616 2.303 1.00 0.00 C ATOM 505 C ASP A 31 -9.123 -11.909 1.839 1.00 0.00 C ATOM 506 O ASP A 31 -8.715 -12.526 0.874 1.00 0.00 O ATOM 507 CB ASP A 31 -9.370 -9.430 2.009 1.00 0.00 C ATOM 508 CG ASP A 31 -9.366 -9.138 0.507 1.00 0.00 C ATOM 509 OD1 ASP A 31 -9.000 -10.025 -0.248 1.00 0.00 O ATOM 510 OD2 ASP A 31 -9.727 -8.034 0.138 1.00 0.00 O ATOM 0 H ASP A 31 -7.180 -9.771 0.806 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.255 -10.675 3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.383 -9.652 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.037 -8.551 2.562 1.00 0.00 H new ATOM 515 N SER A 32 -10.153 -12.326 2.526 1.00 0.00 N ATOM 516 CA SER A 32 -10.860 -13.581 2.141 1.00 0.00 C ATOM 517 C SER A 32 -11.520 -13.407 0.772 1.00 0.00 C ATOM 518 O SER A 32 -12.268 -14.253 0.323 1.00 0.00 O ATOM 519 CB SER A 32 -11.934 -13.894 3.181 1.00 0.00 C ATOM 520 OG SER A 32 -12.798 -14.904 2.675 1.00 0.00 O ATOM 0 H SER A 32 -10.537 -11.848 3.342 1.00 0.00 H new ATOM 0 HA SER A 32 -10.141 -14.399 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.471 -14.227 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.504 -12.995 3.414 1.00 0.00 H new ATOM 0 HG SER A 32 -12.521 -15.146 1.767 1.00 0.00 H new ATOM 526 N PHE A 33 -11.247 -12.320 0.101 1.00 0.00 N ATOM 527 CA PHE A 33 -11.851 -12.088 -1.242 1.00 0.00 C ATOM 528 C PHE A 33 -10.834 -12.497 -2.307 1.00 0.00 C ATOM 529 O PHE A 33 -11.185 -12.898 -3.399 1.00 0.00 O ATOM 530 CB PHE A 33 -12.176 -10.595 -1.385 1.00 0.00 C ATOM 531 CG PHE A 33 -13.515 -10.298 -0.749 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.588 -9.969 0.611 1.00 0.00 C ATOM 533 CD2 PHE A 33 -14.683 -10.351 -1.519 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.828 -9.695 1.199 1.00 0.00 C ATOM 535 CE2 PHE A 33 -15.923 -10.076 -0.931 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.996 -9.748 0.428 1.00 0.00 C ATOM 0 H PHE A 33 -10.628 -11.579 0.428 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.764 -12.672 -1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.398 -9.997 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.194 -10.317 -2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.687 -9.927 1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -14.627 -10.604 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.884 -9.443 2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.824 -10.117 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.953 -9.536 0.882 1.00 0.00 H new ATOM 546 N GLY A 34 -9.573 -12.390 -1.988 1.00 0.00 N ATOM 547 CA GLY A 34 -8.504 -12.761 -2.964 1.00 0.00 C ATOM 548 C GLY A 34 -7.937 -11.488 -3.585 1.00 0.00 C ATOM 549 O GLY A 34 -7.529 -11.473 -4.729 1.00 0.00 O ATOM 0 H GLY A 34 -9.233 -12.059 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.714 -13.320 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.911 -13.410 -3.740 1.00 0.00 H new ATOM 553 N GLU A 35 -7.915 -10.413 -2.836 1.00 0.00 N ATOM 554 CA GLU A 35 -7.380 -9.122 -3.373 1.00 0.00 C ATOM 555 C GLU A 35 -6.552 -8.414 -2.282 1.00 0.00 C ATOM 556 O GLU A 35 -7.094 -8.011 -1.272 1.00 0.00 O ATOM 557 CB GLU A 35 -8.555 -8.222 -3.763 1.00 0.00 C ATOM 558 CG GLU A 35 -9.531 -9.005 -4.642 1.00 0.00 C ATOM 559 CD GLU A 35 -8.808 -9.501 -5.895 1.00 0.00 C ATOM 560 OE1 GLU A 35 -7.870 -8.842 -6.312 1.00 0.00 O ATOM 561 OE2 GLU A 35 -9.204 -10.530 -6.416 1.00 0.00 O ATOM 0 H GLU A 35 -8.246 -10.373 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.751 -9.320 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.063 -7.863 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.192 -7.344 -4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.939 -9.850 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.373 -8.371 -4.922 1.00 0.00 H new ATOM 568 N PRO A 36 -5.254 -8.249 -2.463 1.00 0.00 N ATOM 569 CA PRO A 36 -4.399 -7.567 -1.446 1.00 0.00 C ATOM 570 C PRO A 36 -5.054 -6.291 -0.903 1.00 0.00 C ATOM 571 O PRO A 36 -5.540 -5.467 -1.653 1.00 0.00 O ATOM 572 CB PRO A 36 -3.112 -7.243 -2.211 1.00 0.00 C ATOM 573 CG PRO A 36 -3.016 -8.296 -3.269 1.00 0.00 C ATOM 574 CD PRO A 36 -4.457 -8.682 -3.631 1.00 0.00 C ATOM 0 HA PRO A 36 -4.230 -8.190 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.154 -6.246 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.244 -7.266 -1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.484 -7.921 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.462 -9.162 -2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.785 -8.184 -4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.551 -9.754 -3.802 1.00 0.00 H new ATOM 582 N GLN A 37 -5.071 -6.130 0.399 1.00 0.00 N ATOM 583 CA GLN A 37 -5.695 -4.917 1.019 1.00 0.00 C ATOM 584 C GLN A 37 -4.613 -4.090 1.721 1.00 0.00 C ATOM 585 O GLN A 37 -3.653 -4.625 2.240 1.00 0.00 O ATOM 586 CB GLN A 37 -6.741 -5.368 2.043 1.00 0.00 C ATOM 587 CG GLN A 37 -7.560 -4.161 2.514 1.00 0.00 C ATOM 588 CD GLN A 37 -8.821 -4.647 3.231 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.214 -4.088 4.236 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.477 -5.670 2.756 1.00 0.00 N ATOM 0 H GLN A 37 -4.675 -6.794 1.065 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.170 -4.308 0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.399 -6.115 1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.250 -5.841 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.963 -3.543 3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.831 -3.537 1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.148 -6.140 1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.319 -6.000 3.228 1.00 0.00 H new ATOM 599 N PHE A 38 -4.758 -2.786 1.730 1.00 0.00 N ATOM 600 CA PHE A 38 -3.734 -1.905 2.386 1.00 0.00 C ATOM 601 C PHE A 38 -4.308 -1.272 3.659 1.00 0.00 C ATOM 602 O PHE A 38 -5.446 -0.848 3.700 1.00 0.00 O ATOM 603 CB PHE A 38 -3.363 -0.759 1.429 1.00 0.00 C ATOM 604 CG PHE A 38 -2.327 -1.203 0.420 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.605 -2.257 -0.452 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.100 -0.528 0.328 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.670 -2.636 -1.406 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.157 -0.917 -0.627 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.442 -1.972 -1.497 1.00 0.00 C ATOM 0 H PHE A 38 -5.544 -2.290 1.310 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.864 -2.515 2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.256 -0.412 0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.979 0.086 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.548 -2.778 -0.385 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.884 0.293 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.892 -3.448 -2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.791 -0.403 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.284 -2.274 -2.238 1.00 0.00 H new ATOM 619 N VAL A 39 -3.494 -1.152 4.676 1.00 0.00 N ATOM 620 CA VAL A 39 -3.932 -0.484 5.942 1.00 0.00 C ATOM 621 C VAL A 39 -2.843 0.527 6.312 1.00 0.00 C ATOM 622 O VAL A 39 -1.717 0.163 6.590 1.00 0.00 O ATOM 623 CB VAL A 39 -4.099 -1.519 7.056 1.00 0.00 C ATOM 624 CG1 VAL A 39 -4.894 -0.906 8.212 1.00 0.00 C ATOM 625 CG2 VAL A 39 -4.850 -2.731 6.507 1.00 0.00 C ATOM 0 H VAL A 39 -2.532 -1.492 4.685 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.893 0.013 5.809 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.118 -1.828 7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.012 -1.645 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.360 -0.039 8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.876 -0.597 7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.972 -3.472 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.831 -2.419 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.284 -3.168 5.684 1.00 0.00 H new ATOM 635 N TYR A 40 -3.158 1.800 6.273 1.00 0.00 N ATOM 636 CA TYR A 40 -2.130 2.849 6.573 1.00 0.00 C ATOM 637 C TYR A 40 -2.323 3.411 7.986 1.00 0.00 C ATOM 638 O TYR A 40 -3.429 3.566 8.465 1.00 0.00 O ATOM 639 CB TYR A 40 -2.284 3.998 5.566 1.00 0.00 C ATOM 640 CG TYR A 40 -1.698 3.607 4.232 1.00 0.00 C ATOM 641 CD1 TYR A 40 -0.339 3.827 3.976 1.00 0.00 C ATOM 642 CD2 TYR A 40 -2.513 3.040 3.244 1.00 0.00 C ATOM 643 CE1 TYR A 40 0.206 3.479 2.734 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.969 2.694 2.001 1.00 0.00 C ATOM 645 CZ TYR A 40 -0.610 2.913 1.746 1.00 0.00 C ATOM 646 OH TYR A 40 -0.075 2.574 0.519 1.00 0.00 O ATOM 0 H TYR A 40 -4.085 2.159 6.046 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.140 2.398 6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.338 4.249 5.448 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.784 4.890 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.289 4.265 4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.561 2.870 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.255 3.647 2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.598 2.258 1.239 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.625 1.878 0.103 1.00 0.00 H new ATOM 656 N SER A 41 -1.240 3.736 8.638 1.00 0.00 N ATOM 657 CA SER A 41 -1.324 4.314 10.010 1.00 0.00 C ATOM 658 C SER A 41 0.045 4.901 10.376 1.00 0.00 C ATOM 659 O SER A 41 1.064 4.480 9.866 1.00 0.00 O ATOM 660 CB SER A 41 -1.723 3.213 11.011 1.00 0.00 C ATOM 661 OG SER A 41 -0.705 3.056 11.993 1.00 0.00 O ATOM 0 H SER A 41 -0.293 3.625 8.276 1.00 0.00 H new ATOM 0 HA SER A 41 -2.078 5.100 10.045 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.667 3.472 11.492 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.881 2.271 10.485 1.00 0.00 H new ATOM 0 HG SER A 41 -0.884 3.654 12.749 1.00 0.00 H new ATOM 667 N TRP A 42 0.082 5.871 11.254 1.00 0.00 N ATOM 668 CA TRP A 42 1.388 6.481 11.647 1.00 0.00 C ATOM 669 C TRP A 42 1.871 5.832 12.946 1.00 0.00 C ATOM 670 O TRP A 42 3.046 5.597 13.145 1.00 0.00 O ATOM 671 CB TRP A 42 1.185 7.981 11.900 1.00 0.00 C ATOM 672 CG TRP A 42 1.158 8.746 10.614 1.00 0.00 C ATOM 673 CD1 TRP A 42 0.070 9.373 10.109 1.00 0.00 C ATOM 674 CD2 TRP A 42 2.248 9.002 9.680 1.00 0.00 C ATOM 675 NE1 TRP A 42 0.425 10.004 8.928 1.00 0.00 N ATOM 676 CE2 TRP A 42 1.756 9.803 8.623 1.00 0.00 C ATOM 677 CE3 TRP A 42 3.602 8.622 9.649 1.00 0.00 C ATOM 678 CZ2 TRP A 42 2.577 10.216 7.574 1.00 0.00 C ATOM 679 CZ3 TRP A 42 4.433 9.032 8.590 1.00 0.00 C ATOM 680 CH2 TRP A 42 3.921 9.829 7.557 1.00 0.00 C ATOM 0 H TRP A 42 -0.737 6.267 11.716 1.00 0.00 H new ATOM 0 HA TRP A 42 2.119 6.328 10.853 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.251 8.139 12.440 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.988 8.358 12.534 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -0.914 9.380 10.554 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.218 10.550 8.354 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.006 8.012 10.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.178 10.830 6.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.470 8.731 8.573 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.564 10.144 6.748 1.00 0.00 H new ATOM 691 N LYS A 43 0.960 5.583 13.844 1.00 0.00 N ATOM 692 CA LYS A 43 1.320 4.993 15.165 1.00 0.00 C ATOM 693 C LYS A 43 1.193 3.466 15.120 1.00 0.00 C ATOM 694 O LYS A 43 0.199 2.931 14.670 1.00 0.00 O ATOM 695 CB LYS A 43 0.360 5.562 16.229 1.00 0.00 C ATOM 696 CG LYS A 43 -0.033 6.997 15.852 1.00 0.00 C ATOM 697 CD LYS A 43 -0.920 7.603 16.941 1.00 0.00 C ATOM 698 CE LYS A 43 -2.194 6.767 17.124 1.00 0.00 C ATOM 699 NZ LYS A 43 -3.267 7.621 17.707 1.00 0.00 N ATOM 0 H LYS A 43 -0.035 5.766 13.717 1.00 0.00 H new ATOM 0 HA LYS A 43 2.352 5.245 15.411 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.530 4.937 16.302 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.838 5.550 17.208 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.862 7.605 15.721 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.562 6.999 14.899 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.371 7.650 17.881 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.185 8.626 16.675 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.517 6.362 16.165 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.994 5.918 17.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.641 7.170 18.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.876 8.554 17.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.034 7.736 17.014 1.00 0.00 H new ATOM 713 N LEU A 44 2.179 2.760 15.609 1.00 0.00 N ATOM 714 CA LEU A 44 2.088 1.274 15.614 1.00 0.00 C ATOM 715 C LEU A 44 1.178 0.860 16.767 1.00 0.00 C ATOM 716 O LEU A 44 0.491 -0.137 16.700 1.00 0.00 O ATOM 717 CB LEU A 44 3.479 0.655 15.812 1.00 0.00 C ATOM 718 CG LEU A 44 3.408 -0.877 15.621 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.514 -1.235 14.134 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.560 -1.547 16.376 1.00 0.00 C ATOM 0 H LEU A 44 3.037 3.147 16.002 1.00 0.00 H new ATOM 0 HA LEU A 44 1.688 0.924 14.662 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.183 1.086 15.100 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.851 0.889 16.809 1.00 0.00 H new ATOM 0 HG LEU A 44 2.453 -1.230 16.010 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.462 -2.317 14.016 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.692 -0.771 13.589 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.463 -0.872 13.739 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.506 -2.627 16.238 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.511 -1.179 15.990 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.484 -1.312 17.438 1.00 0.00 H new ATOM 732 N VAL A 45 1.159 1.633 17.821 1.00 0.00 N ATOM 733 CA VAL A 45 0.282 1.306 18.988 1.00 0.00 C ATOM 734 C VAL A 45 -0.345 2.603 19.482 1.00 0.00 C ATOM 735 O VAL A 45 0.204 3.673 19.311 1.00 0.00 O ATOM 736 CB VAL A 45 1.107 0.645 20.106 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.056 -0.395 19.505 1.00 0.00 C ATOM 738 CG2 VAL A 45 1.922 1.705 20.857 1.00 0.00 C ATOM 0 H VAL A 45 1.715 2.481 17.926 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.497 0.604 18.691 1.00 0.00 H new ATOM 0 HB VAL A 45 0.426 0.156 20.803 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.638 -0.860 20.301 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.477 -1.158 18.985 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.730 0.092 18.800 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.502 1.226 21.646 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.597 2.204 20.162 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.247 2.439 21.297 1.00 0.00 H new ATOM 748 N ALA A 46 -1.499 2.526 20.065 1.00 0.00 N ATOM 749 CA ALA A 46 -2.159 3.766 20.531 1.00 0.00 C ATOM 750 C ALA A 46 -1.370 4.378 21.686 1.00 0.00 C ATOM 751 O ALA A 46 -1.812 4.418 22.817 1.00 0.00 O ATOM 752 CB ALA A 46 -3.595 3.447 20.949 1.00 0.00 C ATOM 0 H ALA A 46 -2.013 1.662 20.239 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.186 4.496 19.722 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.085 4.358 21.293 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.140 3.041 20.097 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.585 2.714 21.756 1.00 0.00 H new ATOM 758 N THR A 47 -0.204 4.879 21.383 1.00 0.00 N ATOM 759 CA THR A 47 0.649 5.529 22.415 1.00 0.00 C ATOM 760 C THR A 47 1.454 6.627 21.725 1.00 0.00 C ATOM 761 O THR A 47 1.576 7.734 22.213 1.00 0.00 O ATOM 762 CB THR A 47 1.597 4.504 23.039 1.00 0.00 C ATOM 763 OG1 THR A 47 0.850 3.385 23.495 1.00 0.00 O ATOM 764 CG2 THR A 47 2.323 5.145 24.218 1.00 0.00 C ATOM 0 H THR A 47 0.200 4.864 20.446 1.00 0.00 H new ATOM 0 HA THR A 47 0.030 5.947 23.209 1.00 0.00 H new ATOM 0 HB THR A 47 2.323 4.176 22.296 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.457 2.727 23.894 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.000 4.418 24.667 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.893 6.006 23.870 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.595 5.469 24.961 1.00 0.00 H new ATOM 772 N ASP A 48 1.984 6.326 20.570 1.00 0.00 N ATOM 773 CA ASP A 48 2.762 7.339 19.804 1.00 0.00 C ATOM 774 C ASP A 48 1.793 8.428 19.316 1.00 0.00 C ATOM 775 O ASP A 48 0.666 8.496 19.764 1.00 0.00 O ATOM 776 CB ASP A 48 3.444 6.635 18.612 1.00 0.00 C ATOM 777 CG ASP A 48 4.839 6.145 19.018 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.921 5.098 19.639 1.00 0.00 O ATOM 779 OD2 ASP A 48 5.800 6.826 18.701 1.00 0.00 O ATOM 0 H ASP A 48 1.910 5.413 20.121 1.00 0.00 H new ATOM 0 HA ASP A 48 3.529 7.801 20.425 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.836 5.793 18.281 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.522 7.322 17.770 1.00 0.00 H new ATOM 784 N ARG A 49 2.216 9.290 18.412 1.00 0.00 N ATOM 785 CA ARG A 49 1.301 10.377 17.909 1.00 0.00 C ATOM 786 C ARG A 49 1.452 10.518 16.391 1.00 0.00 C ATOM 787 O ARG A 49 2.467 10.171 15.820 1.00 0.00 O ATOM 788 CB ARG A 49 1.657 11.730 18.542 1.00 0.00 C ATOM 789 CG ARG A 49 1.583 11.662 20.080 1.00 0.00 C ATOM 790 CD ARG A 49 0.139 11.878 20.562 1.00 0.00 C ATOM 791 NE ARG A 49 -0.035 11.227 21.890 1.00 0.00 N ATOM 792 CZ ARG A 49 -1.065 11.524 22.636 1.00 0.00 C ATOM 793 NH1 ARG A 49 -1.937 12.404 22.226 1.00 0.00 N ATOM 794 NH2 ARG A 49 -1.221 10.944 23.794 1.00 0.00 N ATOM 0 H ARG A 49 3.150 9.289 18.002 1.00 0.00 H new ATOM 0 HA ARG A 49 0.280 10.103 18.176 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.661 12.025 18.236 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.974 12.497 18.176 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.946 10.694 20.425 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.235 12.420 20.515 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.077 12.944 20.635 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.564 11.458 19.843 1.00 0.00 H new ATOM 0 HE ARG A 49 0.652 10.548 22.218 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.814 12.861 21.322 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.741 12.635 22.809 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.538 10.258 24.117 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.026 11.176 24.376 1.00 0.00 H new ATOM 808 N VAL A 50 0.448 11.042 15.741 1.00 0.00 N ATOM 809 CA VAL A 50 0.520 11.233 14.259 1.00 0.00 C ATOM 810 C VAL A 50 1.239 12.563 13.947 1.00 0.00 C ATOM 811 O VAL A 50 0.940 13.570 14.557 1.00 0.00 O ATOM 812 CB VAL A 50 -0.901 11.287 13.680 1.00 0.00 C ATOM 813 CG1 VAL A 50 -1.682 10.040 14.107 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.617 12.542 14.195 1.00 0.00 C ATOM 0 H VAL A 50 -0.424 11.348 16.173 1.00 0.00 H new ATOM 0 HA VAL A 50 1.069 10.402 13.815 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.845 11.321 12.592 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.690 10.083 13.694 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.175 9.149 13.737 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.737 10.000 15.195 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.626 12.580 13.784 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.670 12.510 15.283 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.065 13.429 13.884 1.00 0.00 H new ATOM 824 N PRO A 51 2.156 12.598 13.002 1.00 0.00 N ATOM 825 CA PRO A 51 2.862 13.863 12.641 1.00 0.00 C ATOM 826 C PRO A 51 1.903 15.053 12.561 1.00 0.00 C ATOM 827 O PRO A 51 0.851 14.980 11.963 1.00 0.00 O ATOM 828 CB PRO A 51 3.465 13.557 11.267 1.00 0.00 C ATOM 829 CG PRO A 51 3.714 12.083 11.278 1.00 0.00 C ATOM 830 CD PRO A 51 2.632 11.466 12.178 1.00 0.00 C ATOM 0 HA PRO A 51 3.605 14.147 13.386 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.783 13.837 10.464 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.389 14.113 11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.660 11.673 10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.710 11.860 11.660 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.823 11.034 11.589 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.038 10.666 12.797 1.00 0.00 H new ATOM 838 N ALA A 52 2.264 16.146 13.160 1.00 0.00 N ATOM 839 CA ALA A 52 1.386 17.343 13.126 1.00 0.00 C ATOM 840 C ALA A 52 1.035 17.691 11.672 1.00 0.00 C ATOM 841 O ALA A 52 1.889 17.715 10.808 1.00 0.00 O ATOM 842 CB ALA A 52 2.128 18.509 13.779 1.00 0.00 C ATOM 0 H ALA A 52 3.136 16.264 13.676 1.00 0.00 H new ATOM 0 HA ALA A 52 0.461 17.143 13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.496 19.397 13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.369 18.255 14.811 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.048 18.708 13.230 1.00 0.00 H new ATOM 848 N GLY A 53 -0.218 17.968 11.401 1.00 0.00 N ATOM 849 CA GLY A 53 -0.640 18.324 10.008 1.00 0.00 C ATOM 850 C GLY A 53 -1.300 17.116 9.335 1.00 0.00 C ATOM 851 O GLY A 53 -1.980 17.246 8.336 1.00 0.00 O ATOM 0 H GLY A 53 -0.971 17.963 12.089 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.337 19.162 10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.225 18.646 9.428 1.00 0.00 H new ATOM 855 N LYS A 54 -1.103 15.942 9.869 1.00 0.00 N ATOM 856 CA LYS A 54 -1.712 14.720 9.264 1.00 0.00 C ATOM 857 C LYS A 54 -3.107 14.492 9.855 1.00 0.00 C ATOM 858 O LYS A 54 -3.510 15.150 10.794 1.00 0.00 O ATOM 859 CB LYS A 54 -0.806 13.521 9.578 1.00 0.00 C ATOM 860 CG LYS A 54 0.391 13.491 8.612 1.00 0.00 C ATOM 861 CD LYS A 54 1.039 14.883 8.523 1.00 0.00 C ATOM 862 CE LYS A 54 2.396 14.795 7.812 1.00 0.00 C ATOM 863 NZ LYS A 54 3.182 16.028 8.099 1.00 0.00 N ATOM 0 H LYS A 54 -0.542 15.774 10.704 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.807 14.841 8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.451 13.584 10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.374 12.595 9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.125 12.762 8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.061 13.172 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.381 15.564 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.171 15.295 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.941 13.915 8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.250 14.684 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.103 15.972 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.661 16.860 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.331 16.114 9.125 1.00 0.00 H new ATOM 877 N ARG A 55 -3.849 13.566 9.308 1.00 0.00 N ATOM 878 CA ARG A 55 -5.218 13.297 9.830 1.00 0.00 C ATOM 879 C ARG A 55 -5.124 12.472 11.112 1.00 0.00 C ATOM 880 O ARG A 55 -4.092 11.922 11.436 1.00 0.00 O ATOM 881 CB ARG A 55 -6.011 12.501 8.793 1.00 0.00 C ATOM 882 CG ARG A 55 -6.221 13.341 7.512 1.00 0.00 C ATOM 883 CD ARG A 55 -7.604 13.053 6.925 1.00 0.00 C ATOM 884 NE ARG A 55 -7.702 11.610 6.569 1.00 0.00 N ATOM 885 CZ ARG A 55 -8.870 11.067 6.357 1.00 0.00 C ATOM 886 NH1 ARG A 55 -9.952 11.789 6.456 1.00 0.00 N ATOM 887 NH2 ARG A 55 -8.953 9.803 6.048 1.00 0.00 N ATOM 0 H ARG A 55 -3.564 12.984 8.520 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.716 14.245 10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.481 11.581 8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.977 12.212 9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.127 14.402 7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.449 13.104 6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.378 13.314 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.771 13.669 6.041 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.856 11.046 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.885 12.777 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.865 11.365 6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.106 9.240 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.865 9.377 5.882 1.00 0.00 H new ATOM 901 N ASP A 56 -6.203 12.378 11.842 1.00 0.00 N ATOM 902 CA ASP A 56 -6.187 11.584 13.101 1.00 0.00 C ATOM 903 C ASP A 56 -6.466 10.117 12.780 1.00 0.00 C ATOM 904 O ASP A 56 -7.168 9.797 11.841 1.00 0.00 O ATOM 905 CB ASP A 56 -7.265 12.111 14.051 1.00 0.00 C ATOM 906 CG ASP A 56 -7.302 11.247 15.312 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.239 10.884 15.788 1.00 0.00 O ATOM 908 OD2 ASP A 56 -8.392 10.964 15.781 1.00 0.00 O ATOM 0 H ASP A 56 -7.096 12.818 11.619 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.210 11.674 13.575 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.057 13.148 14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.237 12.096 13.559 1.00 0.00 H new ATOM 913 N ALA A 57 -5.918 9.222 13.552 1.00 0.00 N ATOM 914 CA ALA A 57 -6.145 7.773 13.297 1.00 0.00 C ATOM 915 C ALA A 57 -5.670 6.970 14.503 1.00 0.00 C ATOM 916 O ALA A 57 -4.779 7.377 15.222 1.00 0.00 O ATOM 917 CB ALA A 57 -5.347 7.338 12.059 1.00 0.00 C ATOM 0 H ALA A 57 -5.321 9.432 14.351 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.207 7.596 13.128 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.514 6.277 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.675 7.914 11.194 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.285 7.514 12.230 1.00 0.00 H new ATOM 923 N ILE A 58 -6.233 5.817 14.712 1.00 0.00 N ATOM 924 CA ILE A 58 -5.788 4.978 15.847 1.00 0.00 C ATOM 925 C ILE A 58 -4.408 4.448 15.499 1.00 0.00 C ATOM 926 O ILE A 58 -3.712 5.007 14.674 1.00 0.00 O ATOM 927 CB ILE A 58 -6.751 3.799 16.009 1.00 0.00 C ATOM 928 CG1 ILE A 58 -6.685 2.908 14.755 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.173 4.321 16.192 1.00 0.00 C ATOM 930 CD1 ILE A 58 -7.870 1.923 14.705 1.00 0.00 C ATOM 0 H ILE A 58 -6.982 5.421 14.144 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.766 5.552 16.773 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.467 3.215 16.884 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.691 3.533 13.862 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.747 2.353 14.750 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.857 3.480 16.307 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.218 4.950 17.081 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.461 4.906 15.319 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.795 1.308 13.808 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.848 1.283 15.587 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.806 2.481 14.685 1.00 0.00 H new ATOM 942 N SER A 59 -4.015 3.365 16.095 1.00 0.00 N ATOM 943 CA SER A 59 -2.686 2.778 15.780 1.00 0.00 C ATOM 944 C SER A 59 -2.895 1.598 14.845 1.00 0.00 C ATOM 945 O SER A 59 -3.890 0.906 14.923 1.00 0.00 O ATOM 946 CB SER A 59 -2.031 2.302 17.070 1.00 0.00 C ATOM 947 OG SER A 59 -2.415 0.957 17.329 1.00 0.00 O ATOM 0 H SER A 59 -4.559 2.856 16.792 1.00 0.00 H new ATOM 0 HA SER A 59 -2.043 3.520 15.306 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.946 2.372 16.987 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.329 2.943 17.900 1.00 0.00 H new ATOM 0 HG SER A 59 -2.702 0.873 18.262 1.00 0.00 H new ATOM 953 N LEU A 60 -1.973 1.362 13.958 1.00 0.00 N ATOM 954 CA LEU A 60 -2.125 0.220 13.016 1.00 0.00 C ATOM 955 C LEU A 60 -2.558 -1.020 13.809 1.00 0.00 C ATOM 956 O LEU A 60 -3.481 -1.719 13.445 1.00 0.00 O ATOM 957 CB LEU A 60 -0.774 -0.046 12.337 1.00 0.00 C ATOM 958 CG LEU A 60 -0.788 -1.390 11.595 1.00 0.00 C ATOM 959 CD1 LEU A 60 -1.981 -1.445 10.632 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.522 -1.544 10.809 1.00 0.00 C ATOM 0 H LEU A 60 -1.120 1.910 13.844 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.874 0.449 12.258 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.550 0.758 11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.019 -0.047 13.085 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.881 -2.202 12.316 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.983 -2.402 10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.908 -1.337 11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.900 -0.636 9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.519 -2.497 10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.613 -0.730 10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.366 -1.515 11.499 1.00 0.00 H new ATOM 972 N ARG A 61 -1.888 -1.288 14.894 1.00 0.00 N ATOM 973 CA ARG A 61 -2.242 -2.472 15.719 1.00 0.00 C ATOM 974 C ARG A 61 -3.729 -2.423 16.087 1.00 0.00 C ATOM 975 O ARG A 61 -4.369 -3.445 16.221 1.00 0.00 O ATOM 976 CB ARG A 61 -1.378 -2.475 16.988 1.00 0.00 C ATOM 977 CG ARG A 61 0.051 -2.992 16.661 1.00 0.00 C ATOM 978 CD ARG A 61 0.203 -4.451 17.102 1.00 0.00 C ATOM 979 NE ARG A 61 1.406 -5.055 16.456 1.00 0.00 N ATOM 980 CZ ARG A 61 1.906 -6.166 16.926 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.352 -6.746 17.956 1.00 0.00 N ATOM 982 NH2 ARG A 61 2.960 -6.696 16.367 1.00 0.00 N ATOM 0 H ARG A 61 -1.107 -0.734 15.245 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.055 -3.385 15.154 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.323 -1.468 17.402 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.837 -3.107 17.748 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.240 -2.907 15.591 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.793 -2.373 17.166 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.297 -4.504 18.187 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.689 -5.017 16.831 1.00 0.00 H new ATOM 0 HE ARG A 61 1.836 -4.601 15.650 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.529 -6.331 18.393 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.742 -7.614 18.324 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.393 -6.242 15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.350 -7.564 16.734 1.00 0.00 H new ATOM 996 N GLU A 62 -4.296 -1.250 16.236 1.00 0.00 N ATOM 997 CA GLU A 62 -5.744 -1.180 16.573 1.00 0.00 C ATOM 998 C GLU A 62 -6.548 -1.455 15.302 1.00 0.00 C ATOM 999 O GLU A 62 -7.555 -2.134 15.329 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.082 0.202 17.137 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.625 0.290 18.595 1.00 0.00 C ATOM 1002 CD GLU A 62 -6.570 -0.528 19.476 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -7.588 0.011 19.879 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.261 -1.680 19.733 1.00 0.00 O ATOM 0 H GLU A 62 -3.823 -0.352 16.140 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.993 -1.923 17.331 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.594 0.976 16.545 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.155 0.380 17.071 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.606 -0.084 18.691 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.615 1.330 18.922 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.094 -0.961 14.177 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.823 -1.233 12.906 1.00 0.00 C ATOM 1013 C LYS A 63 -6.758 -2.733 12.646 1.00 0.00 C ATOM 1014 O LYS A 63 -7.724 -3.354 12.253 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.161 -0.482 11.744 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.471 1.012 11.854 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.031 1.729 10.578 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.026 3.239 10.821 1.00 0.00 C ATOM 1019 NZ LYS A 63 -5.896 3.949 9.518 1.00 0.00 N ATOM 0 H LYS A 63 -5.257 -0.386 14.086 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.857 -0.898 12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.083 -0.642 11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.525 -0.870 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.539 1.160 12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.957 1.437 12.716 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.037 1.393 10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.706 1.483 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.946 3.541 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.201 3.510 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.045 4.968 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.945 3.789 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.608 3.586 8.852 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.619 -3.320 12.887 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.472 -4.784 12.683 1.00 0.00 C ATOM 1035 C ILE A 64 -6.496 -5.491 13.578 1.00 0.00 C ATOM 1036 O ILE A 64 -7.127 -6.452 13.186 1.00 0.00 O ATOM 1037 CB ILE A 64 -4.033 -5.200 13.062 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.097 -4.896 11.883 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.962 -6.700 13.389 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.637 -5.091 12.301 1.00 0.00 C ATOM 0 H ILE A 64 -4.780 -2.844 13.218 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.649 -5.058 11.643 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.729 -4.638 13.945 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.333 -5.551 11.044 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.251 -3.872 11.542 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.939 -6.967 13.652 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.622 -6.921 14.228 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.275 -7.277 12.519 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.984 -4.872 11.456 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.401 -4.418 13.125 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.484 -6.122 12.620 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.659 -5.012 14.782 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.636 -5.637 15.719 1.00 0.00 C ATOM 1054 C ALA A 65 -9.030 -5.647 15.089 1.00 0.00 C ATOM 1055 O ALA A 65 -9.839 -6.508 15.371 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.675 -4.836 17.023 1.00 0.00 C ATOM 0 H ALA A 65 -6.154 -4.210 15.159 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.328 -6.662 15.925 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.389 -5.292 17.709 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.685 -4.834 17.479 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.979 -3.811 16.811 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.322 -4.701 14.238 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.669 -4.676 13.601 1.00 0.00 C ATOM 1064 C GLU A 66 -10.750 -5.809 12.584 1.00 0.00 C ATOM 1065 O GLU A 66 -11.763 -6.465 12.443 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.886 -3.336 12.892 1.00 0.00 C ATOM 1067 CG GLU A 66 -10.631 -2.184 13.867 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.733 -2.156 14.927 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -11.689 -2.985 15.822 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.601 -1.304 14.830 1.00 0.00 O ATOM 0 H GLU A 66 -8.691 -3.950 13.958 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.438 -4.801 14.363 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.216 -3.255 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.904 -3.279 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.658 -2.305 14.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.606 -1.237 13.328 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.682 -6.046 11.880 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.674 -7.140 10.872 1.00 0.00 C ATOM 1079 C LEU A 67 -9.739 -8.484 11.598 1.00 0.00 C ATOM 1080 O LEU A 67 -10.178 -9.477 11.053 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.388 -7.056 10.046 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.093 -5.592 9.707 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.859 -5.513 8.804 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.298 -4.984 8.983 1.00 0.00 C ATOM 0 H LEU A 67 -8.808 -5.526 11.960 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.533 -7.044 10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.556 -7.486 10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.493 -7.638 9.131 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.903 -5.038 10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.650 -4.471 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.002 -5.945 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.045 -6.067 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.089 -3.942 8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.488 -5.539 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.175 -5.038 9.628 1.00 0.00 H new ATOM 1096 N GLN A 68 -9.306 -8.517 12.829 1.00 0.00 N ATOM 1097 CA GLN A 68 -9.339 -9.788 13.604 1.00 0.00 C ATOM 1098 C GLN A 68 -10.747 -9.994 14.169 1.00 0.00 C ATOM 1099 O GLN A 68 -11.219 -11.107 14.294 1.00 0.00 O ATOM 1100 CB GLN A 68 -8.326 -9.709 14.753 1.00 0.00 C ATOM 1101 CG GLN A 68 -6.912 -9.942 14.212 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.904 -9.859 15.361 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -6.113 -9.019 16.339 1.00 0.00 O flip ATOM 1104 NE2 GLN A 68 -4.915 -10.566 15.368 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.929 -7.714 13.333 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.082 -10.625 12.955 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.385 -8.734 15.236 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.563 -10.455 15.512 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.852 -10.918 13.731 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.675 -9.197 13.452 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.752 -11.222 14.604 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.249 -10.503 16.138 1.00 0.00 H new