USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 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 64 SER OG : rot -41:sc= -0.211 USER MOD Set 1.2: A 65 SER OG : rot 91:sc= 0.0819 USER MOD Single : A 6 THR OG1 : rot 15:sc= 0.745 USER MOD Single : A 9 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.9!) USER MOD Single : A 13 SER OG : rot 89:sc= 0.476 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.37 K(o=-1.4,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -0.0263 K(o=-0.026,f=-2.4) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 81:sc= 0.172 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -161:sc= -11.5! (180deg=-15.7!) USER MOD Single : A 60 TYR OH : rot 166:sc= 0.0848 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 86:sc= -0.0114 USER MOD Single : B 22 GLN : amide:sc= -0.399 K(o=-0.4,f=-1) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.672 -8.872 8.771 1.00 0.00 N ATOM 67 CA THR A 6 1.883 -8.809 9.641 1.00 0.00 C ATOM 68 C THR A 6 3.034 -9.588 8.999 1.00 0.00 C ATOM 69 O THR A 6 4.090 -9.048 8.731 1.00 0.00 O ATOM 70 CB THR A 6 1.461 -9.460 10.959 1.00 0.00 C ATOM 71 OG1 THR A 6 0.112 -9.119 11.242 1.00 0.00 O ATOM 72 CG2 THR A 6 2.364 -8.964 12.089 1.00 0.00 C ATOM 0 HA THR A 6 2.234 -7.788 9.788 1.00 0.00 H new ATOM 0 HB THR A 6 1.552 -10.543 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.311 -8.761 10.434 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.062 -9.429 13.027 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.399 -9.228 11.870 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.276 -7.881 12.176 1.00 0.00 H new ATOM 80 N ALA A 7 2.836 -10.853 8.745 1.00 0.00 N ATOM 81 CA ALA A 7 3.914 -11.665 8.113 1.00 0.00 C ATOM 82 C ALA A 7 4.161 -11.173 6.687 1.00 0.00 C ATOM 83 O ALA A 7 5.288 -11.006 6.261 1.00 0.00 O ATOM 84 CB ALA A 7 3.378 -13.097 8.101 1.00 0.00 C ATOM 0 H ALA A 7 1.974 -11.359 8.948 1.00 0.00 H new ATOM 0 HA ALA A 7 4.860 -11.593 8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.117 -13.758 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.179 -13.420 9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.455 -13.135 7.522 1.00 0.00 H new ATOM 90 N GLU A 8 3.114 -10.930 5.948 1.00 0.00 N ATOM 91 CA GLU A 8 3.284 -10.440 4.552 1.00 0.00 C ATOM 92 C GLU A 8 4.132 -9.167 4.552 1.00 0.00 C ATOM 93 O GLU A 8 4.934 -8.943 3.668 1.00 0.00 O ATOM 94 CB GLU A 8 1.867 -10.144 4.058 1.00 0.00 C ATOM 95 CG GLU A 8 1.732 -10.586 2.601 1.00 0.00 C ATOM 96 CD GLU A 8 0.315 -11.110 2.356 1.00 0.00 C ATOM 97 OE1 GLU A 8 -0.582 -10.690 3.068 1.00 0.00 O ATOM 98 OE2 GLU A 8 0.152 -11.922 1.460 1.00 0.00 O ATOM 0 H GLU A 8 2.147 -11.050 6.251 1.00 0.00 H new ATOM 0 HA GLU A 8 3.789 -11.164 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.138 -10.667 4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.655 -9.079 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.942 -9.749 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.463 -11.363 2.376 1.00 0.00 H new ATOM 105 N GLN A 9 3.960 -8.329 5.540 1.00 0.00 N ATOM 106 CA GLN A 9 4.758 -7.071 5.596 1.00 0.00 C ATOM 107 C GLN A 9 6.249 -7.399 5.710 1.00 0.00 C ATOM 108 O GLN A 9 7.070 -6.863 4.990 1.00 0.00 O ATOM 109 CB GLN A 9 4.270 -6.343 6.848 1.00 0.00 C ATOM 110 CG GLN A 9 4.179 -4.843 6.561 1.00 0.00 C ATOM 111 CD GLN A 9 3.161 -4.203 7.506 1.00 0.00 C ATOM 112 OE1 GLN A 9 2.407 -4.892 8.163 1.00 0.00 O ATOM 113 NE2 GLN A 9 3.107 -2.903 7.601 1.00 0.00 N ATOM 0 H GLN A 9 3.303 -8.461 6.309 1.00 0.00 H new ATOM 0 HA GLN A 9 4.633 -6.462 4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.295 -6.727 7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.953 -6.525 7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.156 -4.377 6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.883 -4.678 5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.740 -2.325 7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.431 -2.465 8.227 1.00 0.00 H new ATOM 122 N VAL A 10 6.608 -8.277 6.607 1.00 0.00 N ATOM 123 CA VAL A 10 8.046 -8.638 6.761 1.00 0.00 C ATOM 124 C VAL A 10 8.582 -9.216 5.447 1.00 0.00 C ATOM 125 O VAL A 10 9.637 -8.841 4.977 1.00 0.00 O ATOM 126 CB VAL A 10 8.075 -9.695 7.866 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.489 -10.264 7.990 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.667 -9.053 9.194 1.00 0.00 C ATOM 0 H VAL A 10 5.969 -8.759 7.239 1.00 0.00 H new ATOM 0 HA VAL A 10 8.667 -7.777 7.009 1.00 0.00 H new ATOM 0 HB VAL A 10 7.380 -10.498 7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.510 -11.017 8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.782 -10.719 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.184 -9.461 8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.687 -9.805 9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.363 -8.251 9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.660 -8.645 9.107 1.00 0.00 H new ATOM 138 N ILE A 11 7.857 -10.122 4.851 1.00 0.00 N ATOM 139 CA ILE A 11 8.316 -10.719 3.564 1.00 0.00 C ATOM 140 C ILE A 11 8.538 -9.611 2.535 1.00 0.00 C ATOM 141 O ILE A 11 9.562 -9.550 1.885 1.00 0.00 O ATOM 142 CB ILE A 11 7.179 -11.643 3.124 1.00 0.00 C ATOM 143 CG1 ILE A 11 7.007 -12.761 4.155 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.513 -12.255 1.763 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.824 -13.646 3.758 1.00 0.00 C ATOM 0 H ILE A 11 6.966 -10.475 5.199 1.00 0.00 H new ATOM 0 HA ILE A 11 9.257 -11.260 3.666 1.00 0.00 H new ATOM 0 HB ILE A 11 6.255 -11.070 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.917 -13.358 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.840 -12.335 5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.702 -12.913 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.639 -11.460 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.437 -12.829 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.702 -14.442 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.916 -13.044 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.010 -14.083 2.777 1.00 0.00 H new ATOM 157 N ALA A 12 7.590 -8.724 2.393 1.00 0.00 N ATOM 158 CA ALA A 12 7.760 -7.611 1.418 1.00 0.00 C ATOM 159 C ALA A 12 9.025 -6.830 1.767 1.00 0.00 C ATOM 160 O ALA A 12 9.780 -6.430 0.905 1.00 0.00 O ATOM 161 CB ALA A 12 6.518 -6.736 1.588 1.00 0.00 C ATOM 0 H ALA A 12 6.709 -8.722 2.908 1.00 0.00 H new ATOM 0 HA ALA A 12 7.862 -7.959 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.571 -5.892 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.626 -7.324 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.470 -6.367 2.613 1.00 0.00 H new ATOM 167 N SER A 13 9.270 -6.631 3.034 1.00 0.00 N ATOM 168 CA SER A 13 10.497 -5.898 3.447 1.00 0.00 C ATOM 169 C SER A 13 11.723 -6.758 3.136 1.00 0.00 C ATOM 170 O SER A 13 12.745 -6.266 2.699 1.00 0.00 O ATOM 171 CB SER A 13 10.351 -5.689 4.954 1.00 0.00 C ATOM 172 OG SER A 13 8.980 -5.485 5.270 1.00 0.00 O ATOM 0 H SER A 13 8.673 -6.945 3.799 1.00 0.00 H new ATOM 0 HA SER A 13 10.620 -4.949 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.735 -6.556 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.941 -4.830 5.272 1.00 0.00 H new ATOM 0 HG SER A 13 8.552 -6.349 5.443 1.00 0.00 H new ATOM 178 N PHE A 14 11.623 -8.044 3.351 1.00 0.00 N ATOM 179 CA PHE A 14 12.778 -8.939 3.056 1.00 0.00 C ATOM 180 C PHE A 14 13.007 -9.008 1.546 1.00 0.00 C ATOM 181 O PHE A 14 14.120 -8.905 1.072 1.00 0.00 O ATOM 182 CB PHE A 14 12.373 -10.308 3.603 1.00 0.00 C ATOM 183 CG PHE A 14 12.915 -10.474 5.003 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.294 -10.595 5.210 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.038 -10.506 6.094 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.795 -10.748 6.508 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.539 -10.658 7.391 1.00 0.00 C ATOM 188 CZ PHE A 14 13.918 -10.781 7.599 1.00 0.00 C ATOM 0 H PHE A 14 10.793 -8.511 3.717 1.00 0.00 H new ATOM 0 HA PHE A 14 13.705 -8.585 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.287 -10.402 3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.758 -11.097 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.971 -10.570 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.974 -10.413 5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.859 -10.841 6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.862 -10.680 8.232 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.305 -10.901 8.600 1.00 0.00 H new ATOM 198 N ARG A 15 11.959 -9.171 0.786 1.00 0.00 N ATOM 199 CA ARG A 15 12.121 -9.234 -0.693 1.00 0.00 C ATOM 200 C ARG A 15 12.900 -8.011 -1.173 1.00 0.00 C ATOM 201 O ARG A 15 13.761 -8.101 -2.025 1.00 0.00 O ATOM 202 CB ARG A 15 10.697 -9.218 -1.249 1.00 0.00 C ATOM 203 CG ARG A 15 10.743 -9.279 -2.777 1.00 0.00 C ATOM 204 CD ARG A 15 9.523 -10.044 -3.296 1.00 0.00 C ATOM 205 NE ARG A 15 9.298 -9.516 -4.670 1.00 0.00 N ATOM 206 CZ ARG A 15 8.843 -8.304 -4.842 1.00 0.00 C ATOM 207 NH1 ARG A 15 8.581 -7.547 -3.810 1.00 0.00 N ATOM 208 NH2 ARG A 15 8.652 -7.846 -6.049 1.00 0.00 N ATOM 0 H ARG A 15 11.001 -9.263 1.124 1.00 0.00 H new ATOM 0 HA ARG A 15 12.670 -10.117 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.133 -10.065 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.180 -8.314 -0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.756 -8.271 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.659 -9.770 -3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.707 -11.118 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.653 -9.878 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 15 9.500 -10.103 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.732 -7.902 -2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.226 -6.601 -3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.858 -8.434 -6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.297 -6.900 -6.185 1.00 0.00 H new ATOM 222 N ILE A 16 12.607 -6.863 -0.624 1.00 0.00 N ATOM 223 CA ILE A 16 13.331 -5.629 -1.039 1.00 0.00 C ATOM 224 C ILE A 16 14.818 -5.751 -0.688 1.00 0.00 C ATOM 225 O ILE A 16 15.680 -5.415 -1.476 1.00 0.00 O ATOM 226 CB ILE A 16 12.675 -4.500 -0.245 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.247 -4.288 -0.753 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.476 -3.211 -0.430 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.611 -3.107 -0.016 1.00 0.00 C ATOM 0 H ILE A 16 11.896 -6.727 0.095 1.00 0.00 H new ATOM 0 HA ILE A 16 13.274 -5.452 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 16 12.653 -4.764 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.256 -4.098 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.656 -5.190 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.007 -2.407 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.495 -3.361 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.498 -2.945 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.594 -2.957 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.588 -3.315 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.198 -2.206 -0.197 1.00 0.00 H new ATOM 241 N LEU A 17 15.128 -6.235 0.487 1.00 0.00 N ATOM 242 CA LEU A 17 16.562 -6.384 0.875 1.00 0.00 C ATOM 243 C LEU A 17 17.248 -7.378 -0.061 1.00 0.00 C ATOM 244 O LEU A 17 18.365 -7.173 -0.495 1.00 0.00 O ATOM 245 CB LEU A 17 16.540 -6.929 2.305 1.00 0.00 C ATOM 246 CG LEU A 17 15.767 -5.968 3.208 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.616 -6.586 4.599 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.531 -4.646 3.315 1.00 0.00 C ATOM 0 H LEU A 17 14.453 -6.532 1.192 1.00 0.00 H new ATOM 0 HA LEU A 17 17.108 -5.443 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 17 16.074 -7.914 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.558 -7.051 2.674 1.00 0.00 H new ATOM 0 HG LEU A 17 14.780 -5.784 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.065 -5.901 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.073 -7.528 4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.603 -6.770 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.981 -3.959 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.518 -4.830 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.638 -4.207 2.323 1.00 0.00 H new ATOM 260 N ALA A 18 16.583 -8.454 -0.380 1.00 0.00 N ATOM 261 CA ALA A 18 17.190 -9.463 -1.293 1.00 0.00 C ATOM 262 C ALA A 18 17.149 -8.958 -2.739 1.00 0.00 C ATOM 263 O ALA A 18 17.573 -9.633 -3.656 1.00 0.00 O ATOM 264 CB ALA A 18 16.321 -10.710 -1.137 1.00 0.00 C ATOM 0 H ALA A 18 15.645 -8.678 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 18 18.235 -9.662 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.704 -11.503 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.344 -11.042 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.295 -10.476 -1.421 1.00 0.00 H new ATOM 270 N SER A 19 16.640 -7.775 -2.950 1.00 0.00 N ATOM 271 CA SER A 19 16.569 -7.227 -4.335 1.00 0.00 C ATOM 272 C SER A 19 15.590 -8.050 -5.177 1.00 0.00 C ATOM 273 O SER A 19 15.932 -8.557 -6.227 1.00 0.00 O ATOM 274 CB SER A 19 17.988 -7.353 -4.888 1.00 0.00 C ATOM 275 OG SER A 19 18.365 -6.126 -5.497 1.00 0.00 O ATOM 0 H SER A 19 16.270 -7.163 -2.223 1.00 0.00 H new ATOM 0 HA SER A 19 16.217 -6.196 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.682 -7.603 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.037 -8.163 -5.615 1.00 0.00 H new ATOM 0 HG SER A 19 19.275 -6.203 -5.851 1.00 0.00 H new ATOM 281 N ASP A 20 14.374 -8.188 -4.723 1.00 0.00 N ATOM 282 CA ASP A 20 13.375 -8.979 -5.498 1.00 0.00 C ATOM 283 C ASP A 20 13.790 -10.452 -5.544 1.00 0.00 C ATOM 284 O ASP A 20 14.091 -10.989 -6.592 1.00 0.00 O ATOM 285 CB ASP A 20 13.391 -8.373 -6.901 1.00 0.00 C ATOM 286 CG ASP A 20 12.043 -8.622 -7.579 1.00 0.00 C ATOM 287 OD1 ASP A 20 11.304 -9.463 -7.095 1.00 0.00 O ATOM 288 OD2 ASP A 20 11.771 -7.966 -8.572 1.00 0.00 O ATOM 0 H ASP A 20 14.029 -7.788 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 20 12.382 -8.942 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.589 -7.303 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.194 -8.815 -7.491 1.00 0.00 H new ATOM 293 N LYS A 21 13.810 -11.109 -4.416 1.00 0.00 N ATOM 294 CA LYS A 21 14.206 -12.545 -4.396 1.00 0.00 C ATOM 295 C LYS A 21 13.469 -13.279 -3.275 1.00 0.00 C ATOM 296 O LYS A 21 13.248 -12.731 -2.213 1.00 0.00 O ATOM 297 CB LYS A 21 15.712 -12.534 -4.130 1.00 0.00 C ATOM 298 CG LYS A 21 16.435 -11.874 -5.307 1.00 0.00 C ATOM 299 CD LYS A 21 17.862 -12.415 -5.399 1.00 0.00 C ATOM 300 CE LYS A 21 18.585 -11.756 -6.577 1.00 0.00 C ATOM 301 NZ LYS A 21 19.283 -12.873 -7.272 1.00 0.00 N ATOM 0 H LYS A 21 13.569 -10.713 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 21 13.959 -13.056 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.925 -11.992 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.075 -13.552 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.899 -12.074 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.453 -10.792 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.398 -12.214 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.844 -13.497 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.881 -11.255 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.292 -11.001 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.802 -12.501 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.951 -13.327 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.584 -13.573 -7.593 1.00 0.00 H new ATOM 315 N PRO A 22 13.119 -14.506 -3.552 1.00 0.00 N ATOM 316 CA PRO A 22 12.407 -15.303 -2.518 1.00 0.00 C ATOM 317 C PRO A 22 13.380 -15.717 -1.412 1.00 0.00 C ATOM 318 O PRO A 22 13.009 -16.365 -0.454 1.00 0.00 O ATOM 319 CB PRO A 22 11.883 -16.530 -3.266 1.00 0.00 C ATOM 320 CG PRO A 22 12.615 -16.549 -4.570 1.00 0.00 C ATOM 321 CD PRO A 22 13.015 -15.134 -4.872 1.00 0.00 C ATOM 0 HA PRO A 22 11.604 -14.744 -2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.068 -17.443 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.806 -16.464 -3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.492 -17.193 -4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.981 -16.947 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.962 -15.093 -5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.273 -14.634 -5.495 1.00 0.00 H new ATOM 329 N TYR A 23 14.626 -15.345 -1.537 1.00 0.00 N ATOM 330 CA TYR A 23 15.626 -15.712 -0.494 1.00 0.00 C ATOM 331 C TYR A 23 16.573 -14.535 -0.245 1.00 0.00 C ATOM 332 O TYR A 23 16.718 -13.661 -1.075 1.00 0.00 O ATOM 333 CB TYR A 23 16.391 -16.901 -1.076 1.00 0.00 C ATOM 334 CG TYR A 23 15.413 -17.928 -1.594 1.00 0.00 C ATOM 335 CD1 TYR A 23 14.472 -18.496 -0.729 1.00 0.00 C ATOM 336 CD2 TYR A 23 15.450 -18.313 -2.940 1.00 0.00 C ATOM 337 CE1 TYR A 23 13.565 -19.449 -1.209 1.00 0.00 C ATOM 338 CE2 TYR A 23 14.543 -19.266 -3.420 1.00 0.00 C ATOM 339 CZ TYR A 23 13.601 -19.835 -2.555 1.00 0.00 C ATOM 340 OH TYR A 23 12.708 -20.774 -3.027 1.00 0.00 O ATOM 0 H TYR A 23 14.994 -14.802 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 23 15.160 -15.959 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.044 -16.567 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 23 17.029 -17.345 -0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.445 -18.200 0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.178 -17.875 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.838 -19.886 -0.541 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.570 -19.562 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 23 12.868 -20.927 -3.982 1.00 0.00 H new ATOM 350 N ILE A 24 17.221 -14.504 0.887 1.00 0.00 N ATOM 351 CA ILE A 24 18.155 -13.378 1.175 1.00 0.00 C ATOM 352 C ILE A 24 19.551 -13.927 1.507 1.00 0.00 C ATOM 353 O ILE A 24 19.693 -15.021 2.014 1.00 0.00 O ATOM 354 CB ILE A 24 17.520 -12.638 2.369 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.684 -11.126 2.175 1.00 0.00 C ATOM 356 CG2 ILE A 24 18.179 -13.056 3.689 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.172 -10.779 2.110 1.00 0.00 C ATOM 0 H ILE A 24 17.145 -15.206 1.623 1.00 0.00 H new ATOM 0 HA ILE A 24 18.293 -12.706 0.328 1.00 0.00 H new ATOM 0 HB ILE A 24 16.463 -12.898 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.186 -10.810 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.210 -10.590 2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.712 -12.519 4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.052 -14.129 3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.242 -12.818 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.289 -9.704 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.657 -11.081 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.632 -11.304 1.273 1.00 0.00 H new ATOM 369 N LEU A 25 20.581 -13.179 1.220 1.00 0.00 N ATOM 370 CA LEU A 25 21.959 -13.665 1.518 1.00 0.00 C ATOM 371 C LEU A 25 22.404 -13.182 2.901 1.00 0.00 C ATOM 372 O LEU A 25 22.057 -12.102 3.335 1.00 0.00 O ATOM 373 CB LEU A 25 22.836 -13.054 0.426 1.00 0.00 C ATOM 374 CG LEU A 25 22.694 -13.872 -0.858 1.00 0.00 C ATOM 375 CD1 LEU A 25 23.066 -13.004 -2.062 1.00 0.00 C ATOM 376 CD2 LEU A 25 23.630 -15.082 -0.797 1.00 0.00 C ATOM 0 H LEU A 25 20.529 -12.254 0.793 1.00 0.00 H new ATOM 0 HA LEU A 25 22.021 -14.753 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.543 -12.020 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.878 -13.039 0.747 1.00 0.00 H new ATOM 0 HG LEU A 25 21.663 -14.211 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.964 -13.588 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.402 -12.141 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 25 24.097 -12.664 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.530 -15.666 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.660 -14.740 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 25 23.367 -15.702 0.060 1.00 0.00 H new ATOM 388 N ALA A 26 23.168 -13.977 3.598 1.00 0.00 N ATOM 389 CA ALA A 26 23.633 -13.566 4.954 1.00 0.00 C ATOM 390 C ALA A 26 24.374 -12.229 4.878 1.00 0.00 C ATOM 391 O ALA A 26 24.152 -11.339 5.674 1.00 0.00 O ATOM 392 CB ALA A 26 24.579 -14.680 5.405 1.00 0.00 C ATOM 0 H ALA A 26 23.491 -14.894 3.288 1.00 0.00 H new ATOM 0 HA ALA A 26 22.805 -13.429 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.965 -14.450 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.039 -15.626 5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.409 -14.759 4.703 1.00 0.00 H new ATOM 398 N GLU A 27 25.251 -12.079 3.923 1.00 0.00 N ATOM 399 CA GLU A 27 26.002 -10.797 3.797 1.00 0.00 C ATOM 400 C GLU A 27 25.028 -9.645 3.550 1.00 0.00 C ATOM 401 O GLU A 27 25.223 -8.542 4.022 1.00 0.00 O ATOM 402 CB GLU A 27 26.914 -10.993 2.588 1.00 0.00 C ATOM 403 CG GLU A 27 28.277 -11.506 3.053 1.00 0.00 C ATOM 404 CD GLU A 27 29.266 -10.341 3.120 1.00 0.00 C ATOM 405 OE1 GLU A 27 29.420 -9.662 2.118 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.853 -10.147 4.173 1.00 0.00 O ATOM 0 H GLU A 27 25.480 -12.787 3.226 1.00 0.00 H new ATOM 0 HA GLU A 27 26.566 -10.554 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.465 -11.702 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.032 -10.051 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.186 -11.976 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.644 -12.269 2.366 1.00 0.00 H new ATOM 413 N GLU A 28 23.979 -9.893 2.816 1.00 0.00 N ATOM 414 CA GLU A 28 22.989 -8.813 2.542 1.00 0.00 C ATOM 415 C GLU A 28 22.398 -8.307 3.857 1.00 0.00 C ATOM 416 O GLU A 28 22.279 -7.118 4.081 1.00 0.00 O ATOM 417 CB GLU A 28 21.908 -9.473 1.686 1.00 0.00 C ATOM 418 CG GLU A 28 22.235 -9.272 0.205 1.00 0.00 C ATOM 419 CD GLU A 28 22.402 -7.779 -0.084 1.00 0.00 C ATOM 420 OE1 GLU A 28 21.447 -7.047 0.117 1.00 0.00 O ATOM 421 OE2 GLU A 28 23.482 -7.393 -0.500 1.00 0.00 O ATOM 0 H GLU A 28 23.764 -10.796 2.394 1.00 0.00 H new ATOM 0 HA GLU A 28 23.436 -7.956 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 28 21.848 -10.537 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 28 20.934 -9.042 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.149 -9.807 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 28 21.439 -9.686 -0.413 1.00 0.00 H new ATOM 428 N LEU A 29 22.031 -9.203 4.732 1.00 0.00 N ATOM 429 CA LEU A 29 21.454 -8.778 6.037 1.00 0.00 C ATOM 430 C LEU A 29 22.494 -7.988 6.831 1.00 0.00 C ATOM 431 O LEU A 29 22.171 -7.066 7.555 1.00 0.00 O ATOM 432 CB LEU A 29 21.104 -10.078 6.762 1.00 0.00 C ATOM 433 CG LEU A 29 19.997 -10.807 6.000 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.454 -11.950 6.860 1.00 0.00 C ATOM 435 CD2 LEU A 29 18.867 -9.827 5.682 1.00 0.00 C ATOM 0 H LEU A 29 22.106 -10.211 4.599 1.00 0.00 H new ATOM 0 HA LEU A 29 20.582 -8.135 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 29 21.987 -10.713 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.778 -9.863 7.780 1.00 0.00 H new ATOM 0 HG LEU A 29 20.400 -11.211 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.665 -12.470 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.259 -12.649 7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.051 -11.547 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.077 -10.346 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.464 -9.423 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.254 -9.012 5.070 1.00 0.00 H new ATOM 447 N ARG A 30 23.743 -8.345 6.702 1.00 0.00 N ATOM 448 CA ARG A 30 24.806 -7.618 7.449 1.00 0.00 C ATOM 449 C ARG A 30 24.963 -6.197 6.898 1.00 0.00 C ATOM 450 O ARG A 30 25.184 -5.257 7.635 1.00 0.00 O ATOM 451 CB ARG A 30 26.082 -8.426 7.212 1.00 0.00 C ATOM 452 CG ARG A 30 26.200 -9.524 8.273 1.00 0.00 C ATOM 453 CD ARG A 30 27.647 -10.019 8.335 1.00 0.00 C ATOM 454 NE ARG A 30 27.748 -10.760 9.624 1.00 0.00 N ATOM 455 CZ ARG A 30 27.698 -10.115 10.759 1.00 0.00 C ATOM 456 NH1 ARG A 30 27.544 -8.818 10.772 1.00 0.00 N ATOM 457 NH2 ARG A 30 27.800 -10.770 11.884 1.00 0.00 N ATOM 0 H ARG A 30 24.072 -9.109 6.111 1.00 0.00 H new ATOM 0 HA ARG A 30 24.573 -7.525 8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.064 -8.869 6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.952 -7.771 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.894 -9.139 9.246 1.00 0.00 H new ATOM 0 HG3 ARG A 30 25.531 -10.351 8.032 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.879 -10.666 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 30 28.350 -9.187 8.302 1.00 0.00 H new ATOM 0 HE ARG A 30 27.857 -11.774 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 30 27.462 -8.305 9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 30 27.505 -8.318 11.660 1.00 0.00 H new ATOM 0 HH21 ARG A 30 27.918 -11.783 11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 30 27.761 -10.269 12.771 1.00 0.00 H new ATOM 471 N ARG A 31 24.857 -6.036 5.607 1.00 0.00 N ATOM 472 CA ARG A 31 25.010 -4.677 5.010 1.00 0.00 C ATOM 473 C ARG A 31 23.649 -3.983 4.878 1.00 0.00 C ATOM 474 O ARG A 31 23.562 -2.772 4.871 1.00 0.00 O ATOM 475 CB ARG A 31 25.621 -4.918 3.629 1.00 0.00 C ATOM 476 CG ARG A 31 26.910 -4.107 3.493 1.00 0.00 C ATOM 477 CD ARG A 31 26.614 -2.795 2.763 1.00 0.00 C ATOM 478 NE ARG A 31 27.948 -2.176 2.524 1.00 0.00 N ATOM 479 CZ ARG A 31 28.056 -1.126 1.755 1.00 0.00 C ATOM 480 NH1 ARG A 31 26.996 -0.614 1.189 1.00 0.00 N ATOM 481 NH2 ARG A 31 29.226 -0.585 1.552 1.00 0.00 N ATOM 0 H ARG A 31 24.671 -6.785 4.940 1.00 0.00 H new ATOM 0 HA ARG A 31 25.631 -4.030 5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 31 25.830 -5.979 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.914 -4.630 2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.328 -3.901 4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.657 -4.681 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 31 26.089 -2.975 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 31 25.979 -2.144 3.364 1.00 0.00 H new ATOM 0 HE ARG A 31 28.779 -2.573 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 31 26.080 -1.034 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 31 27.084 0.206 0.589 1.00 0.00 H new ATOM 0 HH21 ARG A 31 30.055 -0.982 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 31 29.311 0.235 0.952 1.00 0.00 H new ATOM 495 N GLU A 32 22.588 -4.736 4.768 1.00 0.00 N ATOM 496 CA GLU A 32 21.241 -4.103 4.630 1.00 0.00 C ATOM 497 C GLU A 32 20.609 -3.873 6.005 1.00 0.00 C ATOM 498 O GLU A 32 19.756 -3.024 6.171 1.00 0.00 O ATOM 499 CB GLU A 32 20.410 -5.106 3.829 1.00 0.00 C ATOM 500 CG GLU A 32 21.029 -5.290 2.443 1.00 0.00 C ATOM 501 CD GLU A 32 20.967 -3.968 1.675 1.00 0.00 C ATOM 502 OE1 GLU A 32 20.229 -3.094 2.100 1.00 0.00 O ATOM 503 OE2 GLU A 32 21.658 -3.853 0.677 1.00 0.00 O ATOM 0 H GLU A 32 22.593 -5.756 4.767 1.00 0.00 H new ATOM 0 HA GLU A 32 21.299 -3.130 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.372 -6.062 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.383 -4.752 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 32 22.064 -5.620 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.495 -6.066 1.895 1.00 0.00 H new ATOM 510 N LEU A 33 21.017 -4.622 6.991 1.00 0.00 N ATOM 511 CA LEU A 33 20.433 -4.444 8.348 1.00 0.00 C ATOM 512 C LEU A 33 21.549 -4.286 9.383 1.00 0.00 C ATOM 513 O LEU A 33 22.660 -4.730 9.173 1.00 0.00 O ATOM 514 CB LEU A 33 19.645 -5.728 8.598 1.00 0.00 C ATOM 515 CG LEU A 33 18.155 -5.471 8.364 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.458 -6.784 8.002 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.529 -4.899 9.639 1.00 0.00 C ATOM 0 H LEU A 33 21.729 -5.349 6.915 1.00 0.00 H new ATOM 0 HA LEU A 33 19.805 -3.556 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 33 19.997 -6.517 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.809 -6.074 9.619 1.00 0.00 H new ATOM 0 HG LEU A 33 18.036 -4.759 7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.397 -6.599 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.902 -7.193 7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.578 -7.497 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.467 -4.716 9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.651 -5.611 10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.023 -3.962 9.898 1.00 0.00 H new ATOM 529 N PRO A 34 21.210 -3.654 10.472 1.00 0.00 N ATOM 530 CA PRO A 34 22.228 -3.453 11.535 1.00 0.00 C ATOM 531 C PRO A 34 22.879 -4.789 11.907 1.00 0.00 C ATOM 532 O PRO A 34 22.232 -5.818 11.908 1.00 0.00 O ATOM 533 CB PRO A 34 21.437 -2.889 12.710 1.00 0.00 C ATOM 534 CG PRO A 34 20.212 -2.284 12.106 1.00 0.00 C ATOM 535 CD PRO A 34 19.933 -3.019 10.822 1.00 0.00 C ATOM 0 HA PRO A 34 23.037 -2.791 11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.179 -3.672 13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.017 -2.143 13.253 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.366 -2.368 12.788 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.363 -1.222 11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.145 -3.760 10.953 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.602 -2.337 10.039 1.00 0.00 H new ATOM 543 N PRO A 35 24.147 -4.724 12.208 1.00 0.00 N ATOM 544 CA PRO A 35 24.872 -5.969 12.580 1.00 0.00 C ATOM 545 C PRO A 35 24.011 -6.839 13.501 1.00 0.00 C ATOM 546 O PRO A 35 23.913 -8.037 13.323 1.00 0.00 O ATOM 547 CB PRO A 35 26.118 -5.476 13.316 1.00 0.00 C ATOM 548 CG PRO A 35 25.794 -4.085 13.751 1.00 0.00 C ATOM 549 CD PRO A 35 24.802 -3.535 12.765 1.00 0.00 C ATOM 0 HA PRO A 35 25.116 -6.584 11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.347 -6.112 14.171 1.00 0.00 H new ATOM 0 HB3 PRO A 35 26.992 -5.491 12.664 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.378 -4.083 14.758 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.693 -3.470 13.777 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.083 -2.875 13.250 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.295 -2.952 11.988 1.00 0.00 H new ATOM 557 N ASP A 36 23.390 -6.249 14.485 1.00 0.00 N ATOM 558 CA ASP A 36 22.542 -7.048 15.416 1.00 0.00 C ATOM 559 C ASP A 36 21.437 -7.774 14.643 1.00 0.00 C ATOM 560 O ASP A 36 21.162 -8.934 14.879 1.00 0.00 O ATOM 561 CB ASP A 36 21.938 -6.025 16.379 1.00 0.00 C ATOM 562 CG ASP A 36 22.978 -5.638 17.432 1.00 0.00 C ATOM 563 OD1 ASP A 36 23.237 -6.449 18.307 1.00 0.00 O ATOM 564 OD2 ASP A 36 23.498 -4.538 17.346 1.00 0.00 O ATOM 0 H ASP A 36 23.433 -5.250 14.685 1.00 0.00 H new ATOM 0 HA ASP A 36 23.116 -7.813 15.939 1.00 0.00 H new ATOM 0 HB2 ASP A 36 21.614 -5.141 15.830 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.054 -6.442 16.862 1.00 0.00 H new ATOM 569 N GLN A 37 20.801 -7.102 13.723 1.00 0.00 N ATOM 570 CA GLN A 37 19.715 -7.759 12.940 1.00 0.00 C ATOM 571 C GLN A 37 20.304 -8.827 12.014 1.00 0.00 C ATOM 572 O GLN A 37 19.752 -9.898 11.855 1.00 0.00 O ATOM 573 CB GLN A 37 19.079 -6.632 12.126 1.00 0.00 C ATOM 574 CG GLN A 37 18.533 -5.560 13.071 1.00 0.00 C ATOM 575 CD GLN A 37 17.335 -6.118 13.840 1.00 0.00 C ATOM 576 OE1 GLN A 37 16.691 -7.046 13.394 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.006 -5.586 14.985 1.00 0.00 N ATOM 0 H GLN A 37 20.985 -6.129 13.480 1.00 0.00 H new ATOM 0 HA GLN A 37 18.988 -8.260 13.579 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.817 -6.196 11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.275 -7.027 11.505 1.00 0.00 H new ATOM 0 HG2 GLN A 37 19.310 -5.244 13.767 1.00 0.00 H new ATOM 0 HG3 GLN A 37 18.235 -4.678 12.504 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.547 -4.807 15.359 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.208 -5.950 15.506 1.00 0.00 H new ATOM 586 N ALA A 38 21.420 -8.542 11.401 1.00 0.00 N ATOM 587 CA ALA A 38 22.045 -9.538 10.485 1.00 0.00 C ATOM 588 C ALA A 38 22.299 -10.856 11.223 1.00 0.00 C ATOM 589 O ALA A 38 21.988 -11.924 10.733 1.00 0.00 O ATOM 590 CB ALA A 38 23.367 -8.902 10.053 1.00 0.00 C ATOM 0 H ALA A 38 21.927 -7.662 11.495 1.00 0.00 H new ATOM 0 HA ALA A 38 21.406 -9.772 9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.890 -9.576 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 38 23.168 -7.958 9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.986 -8.718 10.931 1.00 0.00 H new ATOM 596 N GLN A 39 22.865 -10.791 12.397 1.00 0.00 N ATOM 597 CA GLN A 39 23.140 -12.042 13.161 1.00 0.00 C ATOM 598 C GLN A 39 21.826 -12.719 13.560 1.00 0.00 C ATOM 599 O GLN A 39 21.659 -13.911 13.400 1.00 0.00 O ATOM 600 CB GLN A 39 23.907 -11.587 14.404 1.00 0.00 C ATOM 601 CG GLN A 39 24.609 -12.790 15.039 1.00 0.00 C ATOM 602 CD GLN A 39 26.035 -12.894 14.497 1.00 0.00 C ATOM 603 OE1 GLN A 39 26.255 -12.773 13.309 1.00 0.00 O ATOM 604 NE2 GLN A 39 27.021 -13.115 15.324 1.00 0.00 N ATOM 0 H GLN A 39 23.149 -9.928 12.860 1.00 0.00 H new ATOM 0 HA GLN A 39 23.705 -12.767 12.575 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.639 -10.826 14.134 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.223 -11.132 15.120 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.628 -12.682 16.124 1.00 0.00 H new ATOM 0 HG3 GLN A 39 24.058 -13.704 14.819 1.00 0.00 H new ATOM 0 HE21 GLN A 39 26.837 -13.217 16.322 1.00 0.00 H new ATOM 0 HE22 GLN A 39 27.976 -13.186 14.972 1.00 0.00 H new ATOM 613 N TYR A 40 20.894 -11.968 14.080 1.00 0.00 N ATOM 614 CA TYR A 40 19.593 -12.571 14.489 1.00 0.00 C ATOM 615 C TYR A 40 18.858 -13.123 13.265 1.00 0.00 C ATOM 616 O TYR A 40 18.377 -14.239 13.269 1.00 0.00 O ATOM 617 CB TYR A 40 18.803 -11.425 15.120 1.00 0.00 C ATOM 618 CG TYR A 40 18.785 -11.593 16.620 1.00 0.00 C ATOM 619 CD1 TYR A 40 19.977 -11.844 17.311 1.00 0.00 C ATOM 620 CD2 TYR A 40 17.577 -11.501 17.321 1.00 0.00 C ATOM 621 CE1 TYR A 40 19.961 -12.000 18.702 1.00 0.00 C ATOM 622 CE2 TYR A 40 17.560 -11.657 18.712 1.00 0.00 C ATOM 623 CZ TYR A 40 18.752 -11.908 19.403 1.00 0.00 C ATOM 624 OH TYR A 40 18.736 -12.062 20.774 1.00 0.00 O ATOM 0 H TYR A 40 20.977 -10.964 14.239 1.00 0.00 H new ATOM 0 HA TYR A 40 19.724 -13.403 15.182 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.255 -10.469 14.856 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.784 -11.414 14.732 1.00 0.00 H new ATOM 0 HD1 TYR A 40 20.909 -11.917 16.770 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.657 -11.309 16.788 1.00 0.00 H new ATOM 0 HE1 TYR A 40 20.881 -12.191 19.235 1.00 0.00 H new ATOM 0 HE2 TYR A 40 16.628 -11.584 19.252 1.00 0.00 H new ATOM 0 HH TYR A 40 17.818 -11.968 21.103 1.00 0.00 H new ATOM 634 N CYS A 41 18.764 -12.349 12.217 1.00 0.00 N ATOM 635 CA CYS A 41 18.058 -12.833 10.996 1.00 0.00 C ATOM 636 C CYS A 41 18.816 -14.014 10.381 1.00 0.00 C ATOM 637 O CYS A 41 18.239 -15.031 10.051 1.00 0.00 O ATOM 638 CB CYS A 41 18.054 -11.642 10.039 1.00 0.00 C ATOM 639 SG CYS A 41 17.159 -10.263 10.796 1.00 0.00 S ATOM 0 H CYS A 41 19.145 -11.405 12.154 1.00 0.00 H new ATOM 0 HA CYS A 41 17.049 -13.181 11.214 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.077 -11.343 9.809 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.584 -11.921 9.096 1.00 0.00 H new ATOM 0 HG CYS A 41 17.940 -9.646 11.633 1.00 0.00 H new ATOM 645 N ILE A 42 20.105 -13.886 10.225 1.00 0.00 N ATOM 646 CA ILE A 42 20.898 -15.002 9.633 1.00 0.00 C ATOM 647 C ILE A 42 20.732 -16.272 10.471 1.00 0.00 C ATOM 648 O ILE A 42 20.917 -17.373 9.990 1.00 0.00 O ATOM 649 CB ILE A 42 22.348 -14.520 9.674 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.567 -13.470 8.581 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.288 -15.704 9.439 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.914 -12.780 8.800 1.00 0.00 C ATOM 0 H ILE A 42 20.643 -13.058 10.481 1.00 0.00 H new ATOM 0 HA ILE A 42 20.576 -15.246 8.620 1.00 0.00 H new ATOM 0 HB ILE A 42 22.557 -14.080 10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.543 -13.942 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 42 21.762 -12.735 8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.322 -15.359 9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.133 -16.452 10.217 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.080 -16.146 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 42 24.071 -12.032 8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.920 -12.295 9.776 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.713 -13.520 8.758 1.00 0.00 H new ATOM 664 N LYS A 43 20.386 -16.129 11.721 1.00 0.00 N ATOM 665 CA LYS A 43 20.213 -17.330 12.589 1.00 0.00 C ATOM 666 C LYS A 43 18.807 -17.911 12.419 1.00 0.00 C ATOM 667 O LYS A 43 18.626 -19.111 12.358 1.00 0.00 O ATOM 668 CB LYS A 43 20.414 -16.820 14.016 1.00 0.00 C ATOM 669 CG LYS A 43 21.400 -17.733 14.748 1.00 0.00 C ATOM 670 CD LYS A 43 20.667 -18.982 15.245 1.00 0.00 C ATOM 671 CE LYS A 43 20.796 -19.075 16.767 1.00 0.00 C ATOM 672 NZ LYS A 43 20.535 -20.507 17.086 1.00 0.00 N ATOM 0 H LYS A 43 20.216 -15.234 12.179 1.00 0.00 H new ATOM 0 HA LYS A 43 20.915 -18.125 12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.792 -15.798 13.999 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.461 -16.798 14.544 1.00 0.00 H new ATOM 0 HG2 LYS A 43 22.213 -18.017 14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.848 -17.203 15.588 1.00 0.00 H new ATOM 0 HD2 LYS A 43 19.616 -18.938 14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.087 -19.873 14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 43 21.789 -18.771 17.099 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.079 -18.422 17.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.605 -20.652 18.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.581 -20.766 16.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 21.237 -21.104 16.603 1.00 0.00 H new ATOM 686 N ARG A 44 17.809 -17.074 12.343 1.00 0.00 N ATOM 687 CA ARG A 44 16.420 -17.591 12.179 1.00 0.00 C ATOM 688 C ARG A 44 16.287 -18.317 10.837 1.00 0.00 C ATOM 689 O ARG A 44 16.225 -19.528 10.785 1.00 0.00 O ATOM 690 CB ARG A 44 15.526 -16.352 12.217 1.00 0.00 C ATOM 691 CG ARG A 44 14.976 -16.165 13.633 1.00 0.00 C ATOM 692 CD ARG A 44 16.135 -16.149 14.634 1.00 0.00 C ATOM 693 NE ARG A 44 15.497 -15.907 15.958 1.00 0.00 N ATOM 694 CZ ARG A 44 15.125 -14.701 16.298 1.00 0.00 C ATOM 695 NH1 ARG A 44 15.301 -13.701 15.476 1.00 0.00 N ATOM 696 NH2 ARG A 44 14.574 -14.496 17.463 1.00 0.00 N ATOM 0 H ARG A 44 17.894 -16.058 12.387 1.00 0.00 H new ATOM 0 HA ARG A 44 16.148 -18.306 12.955 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.093 -15.471 11.916 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.705 -16.460 11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.414 -15.233 13.696 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.284 -16.971 13.875 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.678 -17.094 14.624 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.854 -15.366 14.393 1.00 0.00 H new ATOM 0 HE ARG A 44 15.350 -16.685 16.601 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.730 -13.860 14.564 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.009 -12.762 15.746 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.435 -15.276 18.106 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.283 -13.556 17.731 1.00 0.00 H new ATOM 710 N MET A 45 16.244 -17.586 9.754 1.00 0.00 N ATOM 711 CA MET A 45 16.119 -18.226 8.417 1.00 0.00 C ATOM 712 C MET A 45 16.942 -19.513 8.333 1.00 0.00 C ATOM 713 O MET A 45 18.154 -19.480 8.422 1.00 0.00 O ATOM 714 CB MET A 45 16.695 -17.196 7.456 1.00 0.00 C ATOM 715 CG MET A 45 15.715 -16.043 7.299 1.00 0.00 C ATOM 716 SD MET A 45 16.448 -14.526 7.957 1.00 0.00 S ATOM 717 CE MET A 45 16.016 -13.461 6.561 1.00 0.00 C ATOM 0 H MET A 45 16.291 -16.567 9.741 1.00 0.00 H new ATOM 0 HA MET A 45 15.087 -18.500 8.198 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.650 -16.827 7.831 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.890 -17.656 6.487 1.00 0.00 H new ATOM 0 HG2 MET A 45 15.461 -15.909 6.247 1.00 0.00 H new ATOM 0 HG3 MET A 45 14.787 -16.268 7.825 1.00 0.00 H new ATOM 0 HE1 MET A 45 16.643 -12.569 6.576 1.00 0.00 H new ATOM 0 HE2 MET A 45 16.176 -14.001 5.628 1.00 0.00 H new ATOM 0 HE3 MET A 45 14.969 -13.169 6.637 1.00 0.00 H new ATOM 727 N PRO A 46 16.259 -20.604 8.134 1.00 0.00 N ATOM 728 CA PRO A 46 17.000 -21.882 8.005 1.00 0.00 C ATOM 729 C PRO A 46 17.714 -21.895 6.652 1.00 0.00 C ATOM 730 O PRO A 46 18.011 -20.857 6.096 1.00 0.00 O ATOM 731 CB PRO A 46 15.927 -22.973 8.075 1.00 0.00 C ATOM 732 CG PRO A 46 14.614 -22.263 7.992 1.00 0.00 C ATOM 733 CD PRO A 46 14.844 -20.843 8.427 1.00 0.00 C ATOM 0 HA PRO A 46 17.754 -22.027 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 46 16.039 -23.684 7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 46 16.006 -23.540 9.003 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.224 -22.295 6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.875 -22.746 8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.202 -20.150 7.883 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.629 -20.711 9.487 1.00 0.00 H new ATOM 859 N ALA A 57 21.960 -18.605 0.403 1.00 0.00 N ATOM 860 CA ALA A 57 20.540 -18.206 0.183 1.00 0.00 C ATOM 861 C ALA A 57 19.657 -18.754 1.306 1.00 0.00 C ATOM 862 O ALA A 57 19.442 -19.944 1.417 1.00 0.00 O ATOM 863 CB ALA A 57 20.154 -18.834 -1.156 1.00 0.00 C ATOM 0 HA ALA A 57 20.412 -17.124 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.119 -18.585 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.806 -18.448 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.262 -19.917 -1.095 1.00 0.00 H new ATOM 869 N LEU A 58 19.144 -17.892 2.139 1.00 0.00 N ATOM 870 CA LEU A 58 18.273 -18.360 3.253 1.00 0.00 C ATOM 871 C LEU A 58 16.849 -17.835 3.064 1.00 0.00 C ATOM 872 O LEU A 58 16.615 -16.897 2.330 1.00 0.00 O ATOM 873 CB LEU A 58 18.901 -17.778 4.516 1.00 0.00 C ATOM 874 CG LEU A 58 19.018 -16.264 4.373 1.00 0.00 C ATOM 875 CD1 LEU A 58 18.359 -15.589 5.575 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.495 -15.868 4.312 1.00 0.00 C ATOM 0 H LEU A 58 19.290 -16.883 2.097 1.00 0.00 H new ATOM 0 HA LEU A 58 18.205 -19.447 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.292 -18.026 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 58 19.886 -18.216 4.681 1.00 0.00 H new ATOM 0 HG LEU A 58 18.520 -15.946 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.441 -14.507 5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.307 -15.870 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.858 -15.908 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.578 -14.786 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 58 20.995 -16.185 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.966 -16.350 3.455 1.00 0.00 H new ATOM 888 N ASP A 59 15.895 -18.443 3.711 1.00 0.00 N ATOM 889 CA ASP A 59 14.481 -17.985 3.550 1.00 0.00 C ATOM 890 C ASP A 59 14.044 -17.090 4.719 1.00 0.00 C ATOM 891 O ASP A 59 13.961 -17.524 5.851 1.00 0.00 O ATOM 892 CB ASP A 59 13.650 -19.268 3.524 1.00 0.00 C ATOM 893 CG ASP A 59 13.380 -19.674 2.073 1.00 0.00 C ATOM 894 OD1 ASP A 59 12.478 -19.108 1.479 1.00 0.00 O ATOM 895 OD2 ASP A 59 14.080 -20.544 1.582 1.00 0.00 O ATOM 0 H ASP A 59 16.028 -19.233 4.342 1.00 0.00 H new ATOM 0 HA ASP A 59 14.356 -17.388 2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.179 -20.067 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.708 -19.114 4.051 1.00 0.00 H new ATOM 900 N TYR A 60 13.748 -15.847 4.442 1.00 0.00 N ATOM 901 CA TYR A 60 13.295 -14.915 5.519 1.00 0.00 C ATOM 902 C TYR A 60 11.824 -15.170 5.852 1.00 0.00 C ATOM 903 O TYR A 60 11.351 -14.831 6.918 1.00 0.00 O ATOM 904 CB TYR A 60 13.469 -13.514 4.927 1.00 0.00 C ATOM 905 CG TYR A 60 12.781 -13.443 3.585 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.383 -13.458 3.509 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.543 -13.360 2.413 1.00 0.00 C ATOM 908 CE1 TYR A 60 10.748 -13.391 2.263 1.00 0.00 C ATOM 909 CE2 TYR A 60 12.909 -13.292 1.168 1.00 0.00 C ATOM 910 CZ TYR A 60 11.511 -13.308 1.092 1.00 0.00 C ATOM 911 OH TYR A 60 10.887 -13.242 -0.137 1.00 0.00 O ATOM 0 H TYR A 60 13.801 -15.434 3.511 1.00 0.00 H new ATOM 0 HA TYR A 60 13.860 -15.045 6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.049 -12.768 5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.529 -13.284 4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.794 -13.521 4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.621 -13.348 2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.670 -13.403 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.498 -13.227 0.265 1.00 0.00 H new ATOM 0 HH TYR A 60 11.535 -12.966 -0.818 1.00 0.00 H new ATOM 921 N ALA A 61 11.095 -15.766 4.947 1.00 0.00 N ATOM 922 CA ALA A 61 9.655 -16.040 5.219 1.00 0.00 C ATOM 923 C ALA A 61 9.518 -16.853 6.506 1.00 0.00 C ATOM 924 O ALA A 61 8.568 -16.705 7.249 1.00 0.00 O ATOM 925 CB ALA A 61 9.168 -16.848 4.016 1.00 0.00 C ATOM 0 H ALA A 61 11.433 -16.074 4.035 1.00 0.00 H new ATOM 0 HA ALA A 61 9.074 -15.127 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.113 -17.089 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.300 -16.262 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.744 -17.770 3.940 1.00 0.00 H new ATOM 931 N ALA A 62 10.468 -17.704 6.782 1.00 0.00 N ATOM 932 CA ALA A 62 10.398 -18.517 8.028 1.00 0.00 C ATOM 933 C ALA A 62 10.499 -17.597 9.243 1.00 0.00 C ATOM 934 O ALA A 62 9.924 -17.851 10.283 1.00 0.00 O ATOM 935 CB ALA A 62 11.601 -19.459 7.959 1.00 0.00 C ATOM 0 H ALA A 62 11.288 -17.871 6.199 1.00 0.00 H new ATOM 0 HA ALA A 62 9.463 -19.070 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.618 -20.093 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.524 -20.083 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.519 -18.874 7.914 1.00 0.00 H new ATOM 941 N PHE A 63 11.227 -16.531 9.108 1.00 0.00 N ATOM 942 CA PHE A 63 11.380 -15.575 10.241 1.00 0.00 C ATOM 943 C PHE A 63 10.037 -14.909 10.557 1.00 0.00 C ATOM 944 O PHE A 63 9.673 -14.737 11.703 1.00 0.00 O ATOM 945 CB PHE A 63 12.386 -14.535 9.745 1.00 0.00 C ATOM 946 CG PHE A 63 12.963 -13.792 10.925 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.161 -12.910 11.657 1.00 0.00 C ATOM 948 CD2 PHE A 63 14.301 -13.989 11.287 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.698 -12.223 12.753 1.00 0.00 C ATOM 950 CE2 PHE A 63 14.837 -13.302 12.382 1.00 0.00 C ATOM 951 CZ PHE A 63 14.035 -12.419 13.116 1.00 0.00 C ATOM 0 H PHE A 63 11.728 -16.275 8.257 1.00 0.00 H new ATOM 0 HA PHE A 63 11.714 -16.067 11.154 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.183 -15.023 9.184 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.898 -13.837 9.065 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.129 -12.759 11.377 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.919 -14.671 10.722 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.080 -11.541 13.318 1.00 0.00 H new ATOM 0 HE2 PHE A 63 15.869 -13.453 12.661 1.00 0.00 H new ATOM 0 HZ PHE A 63 14.448 -11.890 13.962 1.00 0.00 H new ATOM 961 N SER A 64 9.300 -14.531 9.548 1.00 0.00 N ATOM 962 CA SER A 64 7.984 -13.874 9.790 1.00 0.00 C ATOM 963 C SER A 64 6.989 -14.876 10.385 1.00 0.00 C ATOM 964 O SER A 64 6.341 -14.607 11.376 1.00 0.00 O ATOM 965 CB SER A 64 7.516 -13.407 8.413 1.00 0.00 C ATOM 966 OG SER A 64 7.446 -14.525 7.538 1.00 0.00 O ATOM 0 H SER A 64 9.552 -14.649 8.567 1.00 0.00 H new ATOM 0 HA SER A 64 8.060 -13.048 10.497 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.539 -12.929 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.205 -12.662 8.015 1.00 0.00 H new ATOM 0 HG SER A 64 8.225 -15.102 7.682 1.00 0.00 H new ATOM 972 N SER A 65 6.863 -16.029 9.785 1.00 0.00 N ATOM 973 CA SER A 65 5.908 -17.043 10.317 1.00 0.00 C ATOM 974 C SER A 65 6.398 -17.582 11.664 1.00 0.00 C ATOM 975 O SER A 65 5.616 -17.872 12.548 1.00 0.00 O ATOM 976 CB SER A 65 5.890 -18.157 9.270 1.00 0.00 C ATOM 977 OG SER A 65 5.604 -17.598 7.995 1.00 0.00 O ATOM 0 H SER A 65 7.379 -16.312 8.952 1.00 0.00 H new ATOM 0 HA SER A 65 4.916 -16.624 10.486 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.853 -18.667 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.139 -18.904 9.529 1.00 0.00 H new ATOM 0 HG SER A 65 6.442 -17.357 7.548 1.00 0.00 H new ATOM 983 N ALA A 66 7.685 -17.720 11.827 1.00 0.00 N ATOM 984 CA ALA A 66 8.220 -18.244 13.117 1.00 0.00 C ATOM 985 C ALA A 66 7.963 -17.243 14.247 1.00 0.00 C ATOM 986 O ALA A 66 7.560 -17.610 15.334 1.00 0.00 O ATOM 987 CB ALA A 66 9.721 -18.412 12.881 1.00 0.00 C ATOM 0 H ALA A 66 8.389 -17.493 11.124 1.00 0.00 H new ATOM 0 HA ALA A 66 7.744 -19.179 13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.191 -18.795 13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.884 -19.113 12.063 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.159 -17.447 12.625 1.00 0.00 H new ATOM 993 N LEU A 67 8.198 -15.983 14.004 1.00 0.00 N ATOM 994 CA LEU A 67 7.972 -14.962 15.067 1.00 0.00 C ATOM 995 C LEU A 67 6.477 -14.818 15.368 1.00 0.00 C ATOM 996 O LEU A 67 6.072 -14.710 16.509 1.00 0.00 O ATOM 997 CB LEU A 67 8.529 -13.662 14.487 1.00 0.00 C ATOM 998 CG LEU A 67 10.007 -13.525 14.859 1.00 0.00 C ATOM 999 CD1 LEU A 67 10.131 -13.175 16.343 1.00 0.00 C ATOM 1000 CD2 LEU A 67 10.729 -14.847 14.585 1.00 0.00 C ATOM 0 H LEU A 67 8.537 -15.616 13.115 1.00 0.00 H new ATOM 0 HA LEU A 67 8.454 -15.234 16.006 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.415 -13.657 13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.967 -12.811 14.871 1.00 0.00 H new ATOM 0 HG LEU A 67 10.458 -12.734 14.260 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.184 -13.078 16.607 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.619 -12.233 16.539 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.678 -13.965 16.942 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.782 -14.748 14.850 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.277 -15.639 15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.643 -15.096 13.527 1.00 0.00 H new ATOM 1012 N TYR A 68 5.652 -14.810 14.357 1.00 0.00 N ATOM 1013 CA TYR A 68 4.187 -14.667 14.593 1.00 0.00 C ATOM 1014 C TYR A 68 3.499 -16.034 14.547 1.00 0.00 C ATOM 1015 O TYR A 68 2.293 -16.128 14.441 1.00 0.00 O ATOM 1016 CB TYR A 68 3.691 -13.779 13.453 1.00 0.00 C ATOM 1017 CG TYR A 68 3.988 -12.334 13.777 1.00 0.00 C ATOM 1018 CD1 TYR A 68 3.209 -11.652 14.718 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.045 -11.676 13.135 1.00 0.00 C ATOM 1020 CE1 TYR A 68 3.486 -10.313 15.019 1.00 0.00 C ATOM 1021 CE2 TYR A 68 5.322 -10.338 13.435 1.00 0.00 C ATOM 1022 CZ TYR A 68 4.542 -9.656 14.377 1.00 0.00 C ATOM 1023 OH TYR A 68 4.816 -8.336 14.673 1.00 0.00 O ATOM 0 H TYR A 68 5.928 -14.896 13.379 1.00 0.00 H new ATOM 0 HA TYR A 68 3.968 -14.240 15.572 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.178 -14.061 12.519 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.620 -13.918 13.309 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.393 -12.159 15.213 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.646 -12.202 12.408 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.885 -9.787 15.746 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.137 -9.831 12.940 1.00 0.00 H new ATOM 0 HH TYR A 68 5.581 -8.033 14.140 1.00 0.00 H new ATOM 1105 N LYS B 8 12.543 3.522 -0.199 1.00 0.00 N ATOM 1106 CA LYS B 8 11.976 2.177 -0.507 1.00 0.00 C ATOM 1107 C LYS B 8 12.683 1.103 0.325 1.00 0.00 C ATOM 1108 O LYS B 8 12.081 0.450 1.155 1.00 0.00 O ATOM 1109 CB LYS B 8 12.243 1.963 -1.997 1.00 0.00 C ATOM 1110 CG LYS B 8 11.011 1.339 -2.652 1.00 0.00 C ATOM 1111 CD LYS B 8 9.916 2.399 -2.795 1.00 0.00 C ATOM 1112 CE LYS B 8 8.615 1.731 -3.244 1.00 0.00 C ATOM 1113 NZ LYS B 8 7.920 1.359 -1.980 1.00 0.00 N ATOM 0 HA LYS B 8 10.914 2.114 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS B 8 12.480 2.914 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS B 8 13.108 1.314 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.271 0.936 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.649 0.506 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.765 2.912 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.219 3.154 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS B 8 8.009 2.410 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS B 8 8.813 0.853 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 7.017 0.894 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 8.518 0.707 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 7.739 2.215 -1.419 1.00 0.00 H new ATOM 1127 N LYS B 9 13.956 0.915 0.109 1.00 0.00 N ATOM 1128 CA LYS B 9 14.698 -0.116 0.888 1.00 0.00 C ATOM 1129 C LYS B 9 14.777 0.291 2.362 1.00 0.00 C ATOM 1130 O LYS B 9 14.685 -0.534 3.249 1.00 0.00 O ATOM 1131 CB LYS B 9 16.096 -0.155 0.265 1.00 0.00 C ATOM 1132 CG LYS B 9 16.538 -1.609 0.094 1.00 0.00 C ATOM 1133 CD LYS B 9 18.065 -1.671 0.020 1.00 0.00 C ATOM 1134 CE LYS B 9 18.554 -0.827 -1.158 1.00 0.00 C ATOM 1135 NZ LYS B 9 20.040 -0.867 -1.070 1.00 0.00 N ATOM 0 H LYS B 9 14.514 1.430 -0.572 1.00 0.00 H new ATOM 0 HA LYS B 9 14.210 -1.090 0.854 1.00 0.00 H new ATOM 0 HB2 LYS B 9 16.090 0.350 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.803 0.379 0.899 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.179 -2.210 0.929 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.102 -2.029 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.500 -1.304 0.950 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.392 -2.704 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.204 -1.233 -2.107 1.00 0.00 H new ATOM 0 HE3 LYS B 9 18.182 0.195 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.449 -0.309 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 20.345 -0.468 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 20.366 -1.852 -1.142 1.00 0.00 H new ATOM 1149 N ALA B 10 14.943 1.558 2.630 1.00 0.00 N ATOM 1150 CA ALA B 10 15.024 2.015 4.046 1.00 0.00 C ATOM 1151 C ALA B 10 13.728 1.670 4.785 1.00 0.00 C ATOM 1152 O ALA B 10 13.741 1.309 5.945 1.00 0.00 O ATOM 1153 CB ALA B 10 15.209 3.530 3.964 1.00 0.00 C ATOM 0 H ALA B 10 15.026 2.295 1.930 1.00 0.00 H new ATOM 0 HA ALA B 10 15.838 1.536 4.590 1.00 0.00 H new ATOM 0 HB1 ALA B 10 15.277 3.943 4.970 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.124 3.756 3.416 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.358 3.973 3.447 1.00 0.00 H new ATOM 1159 N GLU B 11 12.610 1.777 4.121 1.00 0.00 N ATOM 1160 CA GLU B 11 11.316 1.453 4.785 1.00 0.00 C ATOM 1161 C GLU B 11 11.260 -0.040 5.121 1.00 0.00 C ATOM 1162 O GLU B 11 10.819 -0.431 6.183 1.00 0.00 O ATOM 1163 CB GLU B 11 10.242 1.815 3.758 1.00 0.00 C ATOM 1164 CG GLU B 11 9.964 3.318 3.820 1.00 0.00 C ATOM 1165 CD GLU B 11 9.028 3.712 2.676 1.00 0.00 C ATOM 1166 OE1 GLU B 11 9.208 3.196 1.585 1.00 0.00 O ATOM 1167 OE2 GLU B 11 8.147 4.522 2.910 1.00 0.00 O ATOM 0 H GLU B 11 12.537 2.075 3.148 1.00 0.00 H new ATOM 0 HA GLU B 11 11.181 1.996 5.721 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.572 1.536 2.757 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.328 1.257 3.959 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.513 3.576 4.778 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.898 3.875 3.748 1.00 0.00 H new ATOM 1174 N ALA B 12 11.708 -0.874 4.222 1.00 0.00 N ATOM 1175 CA ALA B 12 11.686 -2.340 4.491 1.00 0.00 C ATOM 1176 C ALA B 12 12.636 -2.674 5.644 1.00 0.00 C ATOM 1177 O ALA B 12 12.335 -3.491 6.491 1.00 0.00 O ATOM 1178 CB ALA B 12 12.167 -2.986 3.191 1.00 0.00 C ATOM 0 H ALA B 12 12.088 -0.604 3.315 1.00 0.00 H new ATOM 0 HA ALA B 12 10.697 -2.697 4.780 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.180 -4.070 3.306 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.492 -2.715 2.379 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.172 -2.634 2.960 1.00 0.00 H new ATOM 1184 N VAL B 13 13.779 -2.045 5.683 1.00 0.00 N ATOM 1185 CA VAL B 13 14.745 -2.323 6.785 1.00 0.00 C ATOM 1186 C VAL B 13 14.106 -2.003 8.136 1.00 0.00 C ATOM 1187 O VAL B 13 14.211 -2.761 9.081 1.00 0.00 O ATOM 1188 CB VAL B 13 15.930 -1.394 6.518 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.999 -1.606 7.591 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.521 -1.705 5.141 1.00 0.00 C ATOM 0 H VAL B 13 14.086 -1.352 5.001 1.00 0.00 H new ATOM 0 HA VAL B 13 15.048 -3.369 6.816 1.00 0.00 H new ATOM 0 HB VAL B 13 15.591 -0.358 6.544 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.843 -0.943 7.400 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.579 -1.384 8.572 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.338 -2.642 7.567 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.366 -1.043 4.950 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.859 -2.741 5.116 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.760 -1.552 4.376 1.00 0.00 H new ATOM 1200 N ALA B 14 13.440 -0.885 8.238 1.00 0.00 N ATOM 1201 CA ALA B 14 12.791 -0.516 9.527 1.00 0.00 C ATOM 1202 C ALA B 14 11.720 -1.549 9.887 1.00 0.00 C ATOM 1203 O ALA B 14 11.560 -1.920 11.033 1.00 0.00 O ATOM 1204 CB ALA B 14 12.154 0.851 9.275 1.00 0.00 C ATOM 0 H ALA B 14 13.318 -0.211 7.483 1.00 0.00 H new ATOM 0 HA ALA B 14 13.500 -0.486 10.355 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.654 1.192 10.182 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.927 1.567 8.996 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.426 0.770 8.468 1.00 0.00 H new ATOM 1210 N THR B 15 10.989 -2.017 8.914 1.00 0.00 N ATOM 1211 CA THR B 15 9.930 -3.028 9.195 1.00 0.00 C ATOM 1212 C THR B 15 10.562 -4.317 9.726 1.00 0.00 C ATOM 1213 O THR B 15 10.126 -4.871 10.715 1.00 0.00 O ATOM 1214 CB THR B 15 9.257 -3.277 7.844 1.00 0.00 C ATOM 1215 OG1 THR B 15 9.286 -2.082 7.076 1.00 0.00 O ATOM 1216 CG2 THR B 15 7.805 -3.707 8.067 1.00 0.00 C ATOM 0 H THR B 15 11.079 -1.743 7.936 1.00 0.00 H new ATOM 0 HA THR B 15 9.220 -2.688 9.949 1.00 0.00 H new ATOM 0 HB THR B 15 9.789 -4.065 7.312 1.00 0.00 H new ATOM 0 HG1 THR B 15 10.133 -2.028 6.586 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.326 -3.884 7.104 1.00 0.00 H new ATOM 0 HG22 THR B 15 7.783 -4.623 8.657 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.270 -2.920 8.599 1.00 0.00 H new ATOM 1224 N VAL B 16 11.588 -4.796 9.078 1.00 0.00 N ATOM 1225 CA VAL B 16 12.248 -6.048 9.549 1.00 0.00 C ATOM 1226 C VAL B 16 12.856 -5.830 10.937 1.00 0.00 C ATOM 1227 O VAL B 16 12.705 -6.645 11.826 1.00 0.00 O ATOM 1228 CB VAL B 16 13.346 -6.330 8.525 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.234 -7.468 9.031 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.709 -6.734 7.193 1.00 0.00 C ATOM 0 H VAL B 16 11.998 -4.376 8.244 1.00 0.00 H new ATOM 0 HA VAL B 16 11.547 -6.878 9.632 1.00 0.00 H new ATOM 0 HB VAL B 16 13.950 -5.434 8.382 1.00 0.00 H new ATOM 0 HG11 VAL B 16 15.018 -7.670 8.301 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.687 -7.181 9.980 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.631 -8.365 9.173 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.492 -6.935 6.462 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.106 -7.631 7.335 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.075 -5.924 6.832 1.00 0.00 H new ATOM 1240 N VAL B 17 13.539 -4.735 11.130 1.00 0.00 N ATOM 1241 CA VAL B 17 14.153 -4.465 12.460 1.00 0.00 C ATOM 1242 C VAL B 17 13.064 -4.389 13.534 1.00 0.00 C ATOM 1243 O VAL B 17 13.142 -5.037 14.559 1.00 0.00 O ATOM 1244 CB VAL B 17 14.853 -3.114 12.308 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.168 -2.539 13.691 1.00 0.00 C ATOM 1246 CG2 VAL B 17 16.156 -3.303 11.529 1.00 0.00 C ATOM 0 H VAL B 17 13.698 -4.016 10.424 1.00 0.00 H new ATOM 0 HA VAL B 17 14.847 -5.249 12.763 1.00 0.00 H new ATOM 0 HB VAL B 17 14.200 -2.427 11.770 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.667 -1.576 13.580 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.241 -2.405 14.249 1.00 0.00 H new ATOM 0 HG13 VAL B 17 15.821 -3.226 14.230 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.657 -2.341 11.419 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.806 -3.991 12.069 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.934 -3.711 10.543 1.00 0.00 H new ATOM 1256 N ALA B 18 12.048 -3.604 13.305 1.00 0.00 N ATOM 1257 CA ALA B 18 10.952 -3.489 14.310 1.00 0.00 C ATOM 1258 C ALA B 18 10.405 -4.876 14.652 1.00 0.00 C ATOM 1259 O ALA B 18 10.128 -5.181 15.795 1.00 0.00 O ATOM 1260 CB ALA B 18 9.878 -2.639 13.631 1.00 0.00 C ATOM 0 H ALA B 18 11.928 -3.037 12.466 1.00 0.00 H new ATOM 0 HA ALA B 18 11.292 -3.042 15.244 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.035 -2.508 14.309 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.293 -1.664 13.376 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.539 -3.138 12.723 1.00 0.00 H new ATOM 1266 N ALA B 19 10.253 -5.722 13.669 1.00 0.00 N ATOM 1267 CA ALA B 19 9.727 -7.090 13.941 1.00 0.00 C ATOM 1268 C ALA B 19 10.737 -7.884 14.774 1.00 0.00 C ATOM 1269 O ALA B 19 10.387 -8.536 15.737 1.00 0.00 O ATOM 1270 CB ALA B 19 9.550 -7.727 12.563 1.00 0.00 C ATOM 0 H ALA B 19 10.470 -5.525 12.692 1.00 0.00 H new ATOM 0 HA ALA B 19 8.793 -7.072 14.503 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.164 -8.740 12.677 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.847 -7.135 11.976 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.512 -7.760 12.051 1.00 0.00 H new ATOM 1276 N VAL B 20 11.990 -7.831 14.410 1.00 0.00 N ATOM 1277 CA VAL B 20 13.024 -8.579 15.181 1.00 0.00 C ATOM 1278 C VAL B 20 13.176 -7.974 16.579 1.00 0.00 C ATOM 1279 O VAL B 20 13.270 -8.678 17.565 1.00 0.00 O ATOM 1280 CB VAL B 20 14.312 -8.411 14.378 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.430 -9.232 15.023 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.084 -8.898 12.945 1.00 0.00 C ATOM 0 H VAL B 20 12.342 -7.302 13.612 1.00 0.00 H new ATOM 0 HA VAL B 20 12.764 -9.629 15.316 1.00 0.00 H new ATOM 0 HB VAL B 20 14.597 -7.359 14.366 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.348 -9.111 14.448 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.592 -8.887 16.044 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.147 -10.285 15.037 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.002 -8.779 12.370 1.00 0.00 H new ATOM 0 HG22 VAL B 20 13.799 -9.950 12.959 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.289 -8.312 12.484 1.00 0.00 H new ATOM 1292 N ASP B 21 13.200 -6.672 16.671 1.00 0.00 N ATOM 1293 CA ASP B 21 13.345 -6.020 18.004 1.00 0.00 C ATOM 1294 C ASP B 21 12.219 -6.476 18.937 1.00 0.00 C ATOM 1295 O ASP B 21 12.419 -6.672 20.119 1.00 0.00 O ATOM 1296 CB ASP B 21 13.238 -4.520 17.726 1.00 0.00 C ATOM 1297 CG ASP B 21 13.595 -3.738 18.991 1.00 0.00 C ATOM 1298 OD1 ASP B 21 14.672 -3.960 19.518 1.00 0.00 O ATOM 1299 OD2 ASP B 21 12.785 -2.927 19.411 1.00 0.00 O ATOM 0 H ASP B 21 13.125 -6.032 15.881 1.00 0.00 H new ATOM 0 HA ASP B 21 14.286 -6.276 18.491 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.908 -4.242 16.913 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.227 -4.270 17.405 1.00 0.00 H new ATOM 1304 N GLN B 22 11.036 -6.647 18.412 1.00 0.00 N ATOM 1305 CA GLN B 22 9.897 -7.090 19.268 1.00 0.00 C ATOM 1306 C GLN B 22 10.240 -8.412 19.959 1.00 0.00 C ATOM 1307 O GLN B 22 10.073 -8.562 21.154 1.00 0.00 O ATOM 1308 CB GLN B 22 8.727 -7.280 18.303 1.00 0.00 C ATOM 1309 CG GLN B 22 7.411 -7.015 19.037 1.00 0.00 C ATOM 1310 CD GLN B 22 7.032 -8.245 19.863 1.00 0.00 C ATOM 1311 OE1 GLN B 22 7.363 -8.335 21.028 1.00 0.00 O ATOM 1312 NE2 GLN B 22 6.343 -9.203 19.306 1.00 0.00 N ATOM 0 H GLN B 22 10.809 -6.499 17.429 1.00 0.00 H new ATOM 0 HA GLN B 22 9.666 -6.370 20.053 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.826 -6.601 17.456 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.734 -8.293 17.901 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.513 -6.145 19.686 1.00 0.00 H new ATOM 0 HG3 GLN B 22 6.622 -6.788 18.320 1.00 0.00 H new ATOM 0 HE21 GLN B 22 6.064 -9.128 18.328 1.00 0.00 H new ATOM 0 HE22 GLN B 22 6.083 -10.026 19.849 1.00 0.00 H new ATOM 1321 N ALA B 23 10.718 -9.373 19.217 1.00 0.00 N ATOM 1322 CA ALA B 23 11.070 -10.685 19.830 1.00 0.00 C ATOM 1323 C ALA B 23 12.127 -10.490 20.920 1.00 0.00 C ATOM 1324 O ALA B 23 12.118 -11.158 21.934 1.00 0.00 O ATOM 1325 CB ALA B 23 11.632 -11.521 18.681 1.00 0.00 C ATOM 0 H ALA B 23 10.880 -9.306 18.212 1.00 0.00 H new ATOM 0 HA ALA B 23 10.212 -11.166 20.301 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.916 -12.506 19.052 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.874 -11.630 17.906 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.508 -11.024 18.264 1.00 0.00 H new ATOM 1331 N ARG B 24 13.036 -9.576 20.718 1.00 0.00 N ATOM 1332 CA ARG B 24 14.090 -9.336 21.743 1.00 0.00 C ATOM 1333 C ARG B 24 13.455 -8.832 23.042 1.00 0.00 C ATOM 1334 O ARG B 24 13.876 -9.182 24.127 1.00 0.00 O ATOM 1335 CB ARG B 24 14.996 -8.264 21.138 1.00 0.00 C ATOM 1336 CG ARG B 24 16.422 -8.444 21.662 1.00 0.00 C ATOM 1337 CD ARG B 24 16.899 -7.140 22.305 1.00 0.00 C ATOM 1338 NE ARG B 24 17.507 -6.363 21.189 1.00 0.00 N ATOM 1339 CZ ARG B 24 18.321 -5.374 21.446 1.00 0.00 C ATOM 1340 NH1 ARG B 24 18.588 -5.048 22.682 1.00 0.00 N ATOM 1341 NH2 ARG B 24 18.867 -4.710 20.464 1.00 0.00 N ATOM 0 H ARG B 24 13.094 -8.986 19.888 1.00 0.00 H new ATOM 0 HA ARG B 24 14.642 -10.243 21.989 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.985 -8.336 20.050 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.625 -7.272 21.396 1.00 0.00 H new ATOM 0 HG2 ARG B 24 16.453 -9.254 22.391 1.00 0.00 H new ATOM 0 HG3 ARG B 24 17.088 -8.724 20.846 1.00 0.00 H new ATOM 0 HD2 ARG B 24 16.070 -6.597 22.759 1.00 0.00 H new ATOM 0 HD3 ARG B 24 17.625 -7.331 23.095 1.00 0.00 H new ATOM 0 HE ARG B 24 17.287 -6.604 20.222 1.00 0.00 H new ATOM 0 HH11 ARG B 24 18.161 -5.566 23.450 1.00 0.00 H new ATOM 0 HH12 ARG B 24 19.224 -4.275 22.880 1.00 0.00 H new ATOM 0 HH21 ARG B 24 18.658 -4.964 19.498 1.00 0.00 H new ATOM 0 HH22 ARG B 24 19.503 -3.937 20.662 1.00 0.00 H new