USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00665 USER MOD Single : A 16 GLN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.101 X(o=-0.1,f=0.3) USER MOD Single : A 23 TYR OH : rot 150:sc= -0.52 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0785 X(o=-0.079,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -61:sc= 0.163 USER MOD Single : A 47 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.036) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -155:sc=-0.00116 (180deg=-0.297) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 7.296 -5.391 -3.559 1.00 23.12 N ATOM 26 CA THR A 3 8.740 -5.582 -3.624 1.00 13.52 C ATOM 27 C THR A 3 9.292 -6.060 -2.286 1.00 30.10 C ATOM 28 O THR A 3 8.742 -5.748 -1.229 1.00 52.05 O ATOM 29 CB THR A 3 9.460 -4.282 -4.028 1.00 43.51 C ATOM 30 OG1 THR A 3 10.879 -4.474 -3.985 1.00 14.43 O ATOM 31 CG2 THR A 3 9.070 -3.137 -3.105 1.00 51.13 C ATOM 0 HA THR A 3 8.925 -6.342 -4.383 1.00 13.52 H new ATOM 0 HB THR A 3 9.159 -4.027 -5.044 1.00 43.51 H new ATOM 0 HG1 THR A 3 11.330 -3.643 -4.245 1.00 14.43 H new ATOM 0 HG21 THR A 3 9.591 -2.230 -3.410 1.00 51.13 H new ATOM 0 HG22 THR A 3 7.994 -2.974 -3.162 1.00 51.13 H new ATOM 0 HG23 THR A 3 9.345 -3.386 -2.080 1.00 51.13 H new ATOM 39 N ILE A 4 10.382 -6.818 -2.338 1.00 71.33 N ATOM 40 CA ILE A 4 11.009 -7.338 -1.129 1.00 70.15 C ATOM 41 C ILE A 4 11.273 -6.222 -0.124 1.00 64.41 C ATOM 42 O ILE A 4 11.158 -6.422 1.085 1.00 34.32 O ATOM 43 CB ILE A 4 12.336 -8.053 -1.446 1.00 74.24 C ATOM 44 CG1 ILE A 4 12.089 -9.244 -2.375 1.00 21.33 C ATOM 45 CG2 ILE A 4 13.013 -8.507 -0.162 1.00 33.21 C ATOM 46 CD1 ILE A 4 11.115 -10.256 -1.814 1.00 32.24 C ATOM 0 H ILE A 4 10.849 -7.086 -3.204 1.00 71.33 H new ATOM 0 HA ILE A 4 10.313 -8.057 -0.696 1.00 70.15 H new ATOM 0 HB ILE A 4 12.998 -7.351 -1.954 1.00 74.24 H new ATOM 0 HG12 ILE A 4 11.710 -8.878 -3.329 1.00 21.33 H new ATOM 0 HG13 ILE A 4 13.039 -9.739 -2.578 1.00 21.33 H new ATOM 0 HG21 ILE A 4 13.949 -9.010 -0.403 1.00 33.21 H new ATOM 0 HG22 ILE A 4 13.218 -7.641 0.467 1.00 33.21 H new ATOM 0 HG23 ILE A 4 12.357 -9.196 0.371 1.00 33.21 H new ATOM 0 HD11 ILE A 4 10.988 -11.072 -2.525 1.00 32.24 H new ATOM 0 HD12 ILE A 4 11.501 -10.651 -0.874 1.00 32.24 H new ATOM 0 HD13 ILE A 4 10.153 -9.776 -1.637 1.00 32.24 H new ATOM 58 N ASP A 5 11.627 -5.047 -0.632 1.00 63.34 N ATOM 59 CA ASP A 5 11.905 -3.898 0.221 1.00 44.33 C ATOM 60 C ASP A 5 10.726 -3.608 1.144 1.00 52.15 C ATOM 61 O ASP A 5 10.902 -3.103 2.252 1.00 11.24 O ATOM 62 CB ASP A 5 12.217 -2.667 -0.632 1.00 13.53 C ATOM 63 CG ASP A 5 13.140 -1.692 0.074 1.00 74.33 C ATOM 64 OD1 ASP A 5 14.371 -1.882 -0.001 1.00 63.33 O ATOM 65 OD2 ASP A 5 12.630 -0.740 0.702 1.00 70.35 O ATOM 0 H ASP A 5 11.728 -4.865 -1.631 1.00 63.34 H new ATOM 0 HA ASP A 5 12.774 -4.134 0.836 1.00 44.33 H new ATOM 0 HB2 ASP A 5 12.676 -2.984 -1.568 1.00 13.53 H new ATOM 0 HB3 ASP A 5 11.286 -2.161 -0.889 1.00 13.53 H new ATOM 70 N ASP A 6 9.524 -3.930 0.678 1.00 41.32 N ATOM 71 CA ASP A 6 8.315 -3.704 1.461 1.00 11.11 C ATOM 72 C ASP A 6 8.325 -4.548 2.732 1.00 41.02 C ATOM 73 O ASP A 6 7.660 -4.218 3.713 1.00 4.34 O ATOM 74 CB ASP A 6 7.074 -4.029 0.628 1.00 11.31 C ATOM 75 CG ASP A 6 5.849 -3.267 1.093 1.00 13.52 C ATOM 76 OD1 ASP A 6 5.600 -3.231 2.317 1.00 63.42 O ATOM 77 OD2 ASP A 6 5.139 -2.704 0.234 1.00 74.44 O ATOM 0 H ASP A 6 9.361 -4.348 -0.238 1.00 41.32 H new ATOM 0 HA ASP A 6 8.287 -2.652 1.745 1.00 11.11 H new ATOM 0 HB2 ASP A 6 7.270 -3.793 -0.418 1.00 11.31 H new ATOM 0 HB3 ASP A 6 6.874 -5.099 0.681 1.00 11.31 H new ATOM 82 N ALA A 7 9.083 -5.639 2.705 1.00 31.40 N ATOM 83 CA ALA A 7 9.180 -6.530 3.855 1.00 62.24 C ATOM 84 C ALA A 7 10.097 -5.947 4.925 1.00 63.54 C ATOM 85 O ALA A 7 9.696 -5.779 6.076 1.00 33.42 O ATOM 86 CB ALA A 7 9.678 -7.901 3.420 1.00 53.33 C ATOM 0 H ALA A 7 9.639 -5.927 1.900 1.00 31.40 H new ATOM 0 HA ALA A 7 8.184 -6.637 4.286 1.00 62.24 H new ATOM 0 HB1 ALA A 7 9.746 -8.556 4.289 1.00 53.33 H new ATOM 0 HB2 ALA A 7 8.983 -8.328 2.697 1.00 53.33 H new ATOM 0 HB3 ALA A 7 10.662 -7.802 2.963 1.00 53.33 H new ATOM 92 N PHE A 8 11.331 -5.642 4.537 1.00 1.51 N ATOM 93 CA PHE A 8 12.306 -5.079 5.464 1.00 1.01 C ATOM 94 C PHE A 8 11.725 -3.875 6.200 1.00 22.00 C ATOM 95 O PHE A 8 11.838 -3.767 7.421 1.00 5.41 O ATOM 96 CB PHE A 8 13.576 -4.669 4.715 1.00 30.23 C ATOM 97 CG PHE A 8 14.140 -5.760 3.850 1.00 52.31 C ATOM 98 CD1 PHE A 8 14.215 -7.062 4.315 1.00 24.55 C ATOM 99 CD2 PHE A 8 14.595 -5.482 2.571 1.00 53.20 C ATOM 100 CE1 PHE A 8 14.733 -8.068 3.522 1.00 64.54 C ATOM 101 CE2 PHE A 8 15.113 -6.484 1.772 1.00 2.44 C ATOM 102 CZ PHE A 8 15.184 -7.778 2.249 1.00 72.23 C ATOM 0 H PHE A 8 11.679 -5.775 3.588 1.00 1.51 H new ATOM 0 HA PHE A 8 12.557 -5.845 6.198 1.00 1.01 H new ATOM 0 HB2 PHE A 8 13.358 -3.800 4.094 1.00 30.23 H new ATOM 0 HB3 PHE A 8 14.332 -4.362 5.438 1.00 30.23 H new ATOM 0 HD1 PHE A 8 13.864 -7.294 5.310 1.00 24.55 H new ATOM 0 HD2 PHE A 8 14.544 -4.471 2.194 1.00 53.20 H new ATOM 0 HE1 PHE A 8 14.785 -9.079 3.897 1.00 64.54 H new ATOM 0 HE2 PHE A 8 15.462 -6.255 0.776 1.00 2.44 H new ATOM 0 HZ PHE A 8 15.591 -8.562 1.628 1.00 72.23 H new ATOM 112 N ARG A 9 11.104 -2.973 5.448 1.00 52.32 N ATOM 113 CA ARG A 9 10.507 -1.776 6.027 1.00 14.43 C ATOM 114 C ARG A 9 9.423 -2.143 7.037 1.00 52.23 C ATOM 115 O ARG A 9 9.250 -1.466 8.050 1.00 74.21 O ATOM 116 CB ARG A 9 9.916 -0.891 4.928 1.00 70.12 C ATOM 117 CG ARG A 9 8.716 -1.508 4.228 1.00 31.44 C ATOM 118 CD ARG A 9 8.101 -0.546 3.224 1.00 71.50 C ATOM 119 NE ARG A 9 7.566 0.650 3.869 1.00 62.05 N ATOM 120 CZ ARG A 9 6.460 0.656 4.604 1.00 2.42 C ATOM 121 NH1 ARG A 9 5.776 -0.464 4.788 1.00 73.21 N ATOM 122 NH2 ARG A 9 6.037 1.785 5.158 1.00 1.34 N ATOM 0 H ARG A 9 11.001 -3.048 4.436 1.00 52.32 H new ATOM 0 HA ARG A 9 11.291 -1.224 6.545 1.00 14.43 H new ATOM 0 HB2 ARG A 9 9.621 0.064 5.362 1.00 70.12 H new ATOM 0 HB3 ARG A 9 10.688 -0.680 4.188 1.00 70.12 H new ATOM 0 HG2 ARG A 9 9.021 -2.422 3.718 1.00 31.44 H new ATOM 0 HG3 ARG A 9 7.967 -1.791 4.968 1.00 31.44 H new ATOM 0 HD2 ARG A 9 8.854 -0.256 2.491 1.00 71.50 H new ATOM 0 HD3 ARG A 9 7.304 -1.051 2.679 1.00 71.50 H new ATOM 0 HE ARG A 9 8.069 1.529 3.748 1.00 62.05 H new ATOM 0 HH11 ARG A 9 6.099 -1.334 4.365 1.00 73.21 H new ATOM 0 HH12 ARG A 9 4.927 -0.456 5.353 1.00 73.21 H new ATOM 0 HH21 ARG A 9 6.561 2.649 5.019 1.00 1.34 H new ATOM 0 HH22 ARG A 9 5.187 1.789 5.722 1.00 1.34 H new ATOM 136 N ALA A 10 8.696 -3.218 6.752 1.00 71.23 N ATOM 137 CA ALA A 10 7.630 -3.676 7.635 1.00 64.02 C ATOM 138 C ALA A 10 8.199 -4.283 8.913 1.00 63.23 C ATOM 139 O ALA A 10 7.562 -4.245 9.966 1.00 64.31 O ATOM 140 CB ALA A 10 6.747 -4.685 6.917 1.00 72.24 C ATOM 0 H ALA A 10 8.826 -3.788 5.916 1.00 71.23 H new ATOM 0 HA ALA A 10 7.025 -2.813 7.912 1.00 64.02 H new ATOM 0 HB1 ALA A 10 5.955 -5.018 7.588 1.00 72.24 H new ATOM 0 HB2 ALA A 10 6.304 -4.219 6.037 1.00 72.24 H new ATOM 0 HB3 ALA A 10 7.348 -5.541 6.611 1.00 72.24 H new ATOM 146 N ILE A 11 9.400 -4.843 8.813 1.00 43.25 N ATOM 147 CA ILE A 11 10.054 -5.458 9.961 1.00 2.40 C ATOM 148 C ILE A 11 10.321 -4.431 11.057 1.00 52.25 C ATOM 149 O ILE A 11 10.335 -4.763 12.241 1.00 23.02 O ATOM 150 CB ILE A 11 11.385 -6.123 9.562 1.00 54.01 C ATOM 151 CG1 ILE A 11 11.126 -7.324 8.650 1.00 52.12 C ATOM 152 CG2 ILE A 11 12.156 -6.549 10.802 1.00 65.23 C ATOM 153 CD1 ILE A 11 10.375 -8.448 9.329 1.00 51.32 C ATOM 0 H ILE A 11 9.940 -4.883 7.948 1.00 43.25 H new ATOM 0 HA ILE A 11 9.374 -6.222 10.339 1.00 2.40 H new ATOM 0 HB ILE A 11 11.988 -5.398 9.015 1.00 54.01 H new ATOM 0 HG12 ILE A 11 10.559 -6.993 7.780 1.00 52.12 H new ATOM 0 HG13 ILE A 11 12.080 -7.704 8.284 1.00 52.12 H new ATOM 0 HG21 ILE A 11 13.094 -7.017 10.504 1.00 65.23 H new ATOM 0 HG22 ILE A 11 12.366 -5.675 11.418 1.00 65.23 H new ATOM 0 HG23 ILE A 11 11.561 -7.261 11.374 1.00 65.23 H new ATOM 0 HD11 ILE A 11 10.227 -9.265 8.623 1.00 51.32 H new ATOM 0 HD12 ILE A 11 10.950 -8.806 10.183 1.00 51.32 H new ATOM 0 HD13 ILE A 11 9.406 -8.084 9.671 1.00 51.32 H new ATOM 165 N GLU A 12 10.529 -3.182 10.651 1.00 5.05 N ATOM 166 CA GLU A 12 10.794 -2.106 11.600 1.00 64.33 C ATOM 167 C GLU A 12 9.626 -1.932 12.565 1.00 14.11 C ATOM 168 O GLU A 12 9.821 -1.662 13.750 1.00 33.24 O ATOM 169 CB GLU A 12 11.057 -0.795 10.857 1.00 53.43 C ATOM 170 CG GLU A 12 12.512 -0.596 10.468 1.00 0.20 C ATOM 171 CD GLU A 12 12.679 0.362 9.305 1.00 45.33 C ATOM 172 OE1 GLU A 12 11.955 0.208 8.299 1.00 10.35 O ATOM 173 OE2 GLU A 12 13.536 1.267 9.400 1.00 35.33 O ATOM 0 H GLU A 12 10.519 -2.891 9.674 1.00 5.05 H new ATOM 0 HA GLU A 12 11.680 -2.373 12.175 1.00 64.33 H new ATOM 0 HB2 GLU A 12 10.442 -0.768 9.957 1.00 53.43 H new ATOM 0 HB3 GLU A 12 10.740 0.038 11.485 1.00 53.43 H new ATOM 0 HG2 GLU A 12 13.066 -0.218 11.328 1.00 0.20 H new ATOM 0 HG3 GLU A 12 12.949 -1.559 10.206 1.00 0.20 H new ATOM 180 N ARG A 13 8.411 -2.087 12.049 1.00 70.24 N ATOM 181 CA ARG A 13 7.210 -1.945 12.863 1.00 24.34 C ATOM 182 C ARG A 13 7.010 -3.168 13.754 1.00 73.24 C ATOM 183 O ARG A 13 6.434 -3.072 14.837 1.00 51.02 O ATOM 184 CB ARG A 13 5.984 -1.744 11.972 1.00 51.45 C ATOM 185 CG ARG A 13 5.159 -0.521 12.338 1.00 13.11 C ATOM 186 CD ARG A 13 5.507 0.670 11.459 1.00 4.35 C ATOM 187 NE ARG A 13 5.924 1.828 12.247 1.00 62.43 N ATOM 188 CZ ARG A 13 6.516 2.896 11.725 1.00 2.43 C ATOM 189 NH1 ARG A 13 6.759 2.955 10.423 1.00 21.32 N ATOM 190 NH2 ARG A 13 6.866 3.910 12.507 1.00 51.01 N ATOM 0 H ARG A 13 8.232 -2.311 11.070 1.00 70.24 H new ATOM 0 HA ARG A 13 7.335 -1.069 13.499 1.00 24.34 H new ATOM 0 HB2 ARG A 13 6.309 -1.655 10.935 1.00 51.45 H new ATOM 0 HB3 ARG A 13 5.352 -2.630 12.033 1.00 51.45 H new ATOM 0 HG2 ARG A 13 4.099 -0.752 12.236 1.00 13.11 H new ATOM 0 HG3 ARG A 13 5.330 -0.265 13.384 1.00 13.11 H new ATOM 0 HD2 ARG A 13 6.306 0.392 10.772 1.00 4.35 H new ATOM 0 HD3 ARG A 13 4.642 0.937 10.851 1.00 4.35 H new ATOM 0 HE ARG A 13 5.751 1.815 13.252 1.00 62.43 H new ATOM 0 HH11 ARG A 13 6.491 2.178 9.818 1.00 21.32 H new ATOM 0 HH12 ARG A 13 7.214 3.777 10.026 1.00 21.32 H new ATOM 0 HH21 ARG A 13 6.680 3.869 13.509 1.00 51.01 H new ATOM 0 HH22 ARG A 13 7.321 4.730 12.106 1.00 51.01 H new ATOM 204 N ALA A 14 7.488 -4.317 13.288 1.00 24.42 N ATOM 205 CA ALA A 14 7.363 -5.558 14.042 1.00 21.52 C ATOM 206 C ALA A 14 8.132 -5.482 15.357 1.00 63.23 C ATOM 207 O ALA A 14 7.589 -5.774 16.422 1.00 32.44 O ATOM 208 CB ALA A 14 7.853 -6.734 13.209 1.00 13.23 C ATOM 0 H ALA A 14 7.965 -4.414 12.392 1.00 24.42 H new ATOM 0 HA ALA A 14 6.309 -5.707 14.276 1.00 21.52 H new ATOM 0 HB1 ALA A 14 7.754 -7.654 13.785 1.00 13.23 H new ATOM 0 HB2 ALA A 14 7.257 -6.809 12.299 1.00 13.23 H new ATOM 0 HB3 ALA A 14 8.900 -6.582 12.945 1.00 13.23 H new ATOM 214 N ILE A 15 9.399 -5.089 15.274 1.00 53.02 N ATOM 215 CA ILE A 15 10.242 -4.974 16.457 1.00 34.54 C ATOM 216 C ILE A 15 9.707 -3.912 17.412 1.00 21.53 C ATOM 217 O ILE A 15 9.764 -4.075 18.631 1.00 44.12 O ATOM 218 CB ILE A 15 11.694 -4.627 16.082 1.00 24.15 C ATOM 219 CG1 ILE A 15 12.549 -4.483 17.343 1.00 10.54 C ATOM 220 CG2 ILE A 15 11.738 -3.350 15.258 1.00 55.55 C ATOM 221 CD1 ILE A 15 13.746 -5.407 17.372 1.00 73.24 C ATOM 0 H ILE A 15 9.864 -4.845 14.399 1.00 53.02 H new ATOM 0 HA ILE A 15 10.226 -5.945 16.952 1.00 34.54 H new ATOM 0 HB ILE A 15 12.102 -5.439 15.480 1.00 24.15 H new ATOM 0 HG12 ILE A 15 12.894 -3.452 17.422 1.00 10.54 H new ATOM 0 HG13 ILE A 15 11.928 -4.679 18.217 1.00 10.54 H new ATOM 0 HG21 ILE A 15 12.772 -3.118 15.001 1.00 55.55 H new ATOM 0 HG22 ILE A 15 11.159 -3.486 14.345 1.00 55.55 H new ATOM 0 HG23 ILE A 15 11.315 -2.529 15.837 1.00 55.55 H new ATOM 0 HD11 ILE A 15 14.305 -5.249 18.294 1.00 73.24 H new ATOM 0 HD12 ILE A 15 13.408 -6.442 17.325 1.00 73.24 H new ATOM 0 HD13 ILE A 15 14.389 -5.196 16.517 1.00 73.24 H new ATOM 233 N GLN A 16 9.186 -2.827 16.850 1.00 42.14 N ATOM 234 CA GLN A 16 8.640 -1.739 17.652 1.00 50.43 C ATOM 235 C GLN A 16 7.426 -2.205 18.447 1.00 35.35 C ATOM 236 O GLN A 16 7.080 -1.619 19.473 1.00 42.44 O ATOM 237 CB GLN A 16 8.255 -0.560 16.756 1.00 43.12 C ATOM 238 CG GLN A 16 9.355 0.480 16.612 1.00 22.45 C ATOM 239 CD GLN A 16 8.967 1.824 17.196 1.00 43.02 C ATOM 240 OE1 GLN A 16 9.657 2.359 18.064 1.00 42.41 O ATOM 241 NE2 GLN A 16 7.858 2.378 16.721 1.00 72.21 N ATOM 0 H GLN A 16 9.130 -2.678 15.843 1.00 42.14 H new ATOM 0 HA GLN A 16 9.410 -1.417 18.354 1.00 50.43 H new ATOM 0 HB2 GLN A 16 7.991 -0.937 15.768 1.00 43.12 H new ATOM 0 HB3 GLN A 16 7.365 -0.081 17.163 1.00 43.12 H new ATOM 0 HG2 GLN A 16 10.257 0.120 17.107 1.00 22.45 H new ATOM 0 HG3 GLN A 16 9.598 0.603 15.556 1.00 22.45 H new ATOM 0 HE21 GLN A 16 7.317 1.899 16.001 1.00 72.21 H new ATOM 0 HE22 GLN A 16 7.547 3.283 17.076 1.00 72.21 H new ATOM 250 N ALA A 17 6.781 -3.264 17.968 1.00 62.12 N ATOM 251 CA ALA A 17 5.606 -3.810 18.635 1.00 23.44 C ATOM 252 C ALA A 17 5.882 -4.062 20.114 1.00 42.30 C ATOM 253 O ALA A 17 5.169 -3.559 20.981 1.00 0.35 O ATOM 254 CB ALA A 17 5.162 -5.096 17.954 1.00 52.14 C ATOM 0 H ALA A 17 7.053 -3.761 17.120 1.00 62.12 H new ATOM 0 HA ALA A 17 4.803 -3.076 18.561 1.00 23.44 H new ATOM 0 HB1 ALA A 17 4.283 -5.493 18.463 1.00 52.14 H new ATOM 0 HB2 ALA A 17 4.916 -4.890 16.912 1.00 52.14 H new ATOM 0 HB3 ALA A 17 5.968 -5.828 17.998 1.00 52.14 H new ATOM 260 N GLU A 18 6.921 -4.843 20.393 1.00 33.31 N ATOM 261 CA GLU A 18 7.289 -5.162 21.768 1.00 55.23 C ATOM 262 C GLU A 18 6.141 -5.863 22.489 1.00 2.04 C ATOM 263 O GLU A 18 5.248 -5.215 23.033 1.00 72.11 O ATOM 264 CB GLU A 18 7.679 -3.889 22.523 1.00 74.44 C ATOM 265 CG GLU A 18 8.690 -3.029 21.784 1.00 64.40 C ATOM 266 CD GLU A 18 9.921 -2.731 22.618 1.00 42.43 C ATOM 267 OE1 GLU A 18 9.780 -2.575 23.849 1.00 54.02 O ATOM 268 OE2 GLU A 18 11.025 -2.652 22.040 1.00 63.12 O ATOM 0 H GLU A 18 7.522 -5.266 19.686 1.00 33.31 H new ATOM 0 HA GLU A 18 8.145 -5.837 21.742 1.00 55.23 H new ATOM 0 HB2 GLU A 18 6.782 -3.299 22.712 1.00 74.44 H new ATOM 0 HB3 GLU A 18 8.090 -4.164 23.494 1.00 74.44 H new ATOM 0 HG2 GLU A 18 8.991 -3.535 20.867 1.00 64.40 H new ATOM 0 HG3 GLU A 18 8.218 -2.091 21.491 1.00 64.40 H new ATOM 275 N ASN A 19 6.174 -7.192 22.489 1.00 52.30 N ATOM 276 CA ASN A 19 5.137 -7.982 23.142 1.00 14.23 C ATOM 277 C ASN A 19 5.423 -9.474 23.007 1.00 25.13 C ATOM 278 O ASN A 19 6.507 -9.871 22.580 1.00 30.23 O ATOM 279 CB ASN A 19 3.766 -7.658 22.543 1.00 24.23 C ATOM 280 CG ASN A 19 2.723 -7.376 23.607 1.00 75.05 C ATOM 281 OD1 ASN A 19 2.759 -6.338 24.268 1.00 31.41 O ATOM 282 ND2 ASN A 19 1.785 -8.301 23.775 1.00 22.55 N ATOM 0 H ASN A 19 6.907 -7.744 22.044 1.00 52.30 H new ATOM 0 HA ASN A 19 5.133 -7.725 24.201 1.00 14.23 H new ATOM 0 HB2 ASN A 19 3.855 -6.792 21.886 1.00 24.23 H new ATOM 0 HB3 ASN A 19 3.435 -8.494 21.926 1.00 24.23 H new ATOM 0 HD21 ASN A 19 1.055 -8.166 24.475 1.00 22.55 H new ATOM 0 HD22 ASN A 19 1.794 -9.146 23.204 1.00 22.55 H new ATOM 289 N GLU A 20 4.444 -10.295 23.374 1.00 62.11 N ATOM 290 CA GLU A 20 4.592 -11.743 23.294 1.00 63.54 C ATOM 291 C GLU A 20 3.491 -12.356 22.434 1.00 74.25 C ATOM 292 O GLU A 20 2.883 -13.359 22.806 1.00 55.31 O ATOM 293 CB GLU A 20 4.563 -12.360 24.694 1.00 44.22 C ATOM 294 CG GLU A 20 3.515 -11.747 25.607 1.00 72.21 C ATOM 295 CD GLU A 20 2.101 -11.984 25.113 1.00 31.51 C ATOM 296 OE1 GLU A 20 1.597 -11.149 24.333 1.00 5.23 O ATOM 297 OE2 GLU A 20 1.498 -13.005 25.506 1.00 11.21 O ATOM 0 H GLU A 20 3.541 -9.982 23.729 1.00 62.11 H new ATOM 0 HA GLU A 20 5.554 -11.958 22.830 1.00 63.54 H new ATOM 0 HB2 GLU A 20 4.375 -13.430 24.607 1.00 44.22 H new ATOM 0 HB3 GLU A 20 5.545 -12.245 25.153 1.00 44.22 H new ATOM 0 HG2 GLU A 20 3.621 -12.165 26.608 1.00 72.21 H new ATOM 0 HG3 GLU A 20 3.692 -10.675 25.689 1.00 72.21 H new ATOM 304 N GLY A 21 3.239 -11.744 21.280 1.00 61.40 N ATOM 305 CA GLY A 21 2.211 -12.242 20.385 1.00 70.40 C ATOM 306 C GLY A 21 1.996 -11.338 19.188 1.00 45.41 C ATOM 307 O GLY A 21 1.627 -11.802 18.109 1.00 44.40 O ATOM 0 H GLY A 21 3.729 -10.912 20.950 1.00 61.40 H new ATOM 0 HA2 GLY A 21 2.487 -13.238 20.039 1.00 70.40 H new ATOM 0 HA3 GLY A 21 1.274 -12.343 20.933 1.00 70.40 H new ATOM 311 N ARG A 22 2.226 -10.043 19.378 1.00 4.42 N ATOM 312 CA ARG A 22 2.053 -9.070 18.306 1.00 62.21 C ATOM 313 C ARG A 22 3.243 -9.096 17.351 1.00 3.33 C ATOM 314 O ARG A 22 3.103 -8.817 16.160 1.00 32.41 O ATOM 315 CB ARG A 22 1.881 -7.665 18.886 1.00 72.14 C ATOM 316 CG ARG A 22 0.438 -7.311 19.206 1.00 32.32 C ATOM 317 CD ARG A 22 0.274 -6.906 20.663 1.00 50.24 C ATOM 318 NE ARG A 22 -1.066 -7.197 21.165 1.00 72.44 N ATOM 319 CZ ARG A 22 -1.586 -6.627 22.246 1.00 72.13 C ATOM 320 NH1 ARG A 22 -0.883 -5.739 22.934 1.00 25.24 N ATOM 321 NH2 ARG A 22 -2.813 -6.944 22.640 1.00 61.43 N ATOM 0 H ARG A 22 2.533 -9.643 20.265 1.00 4.42 H new ATOM 0 HA ARG A 22 1.156 -9.337 17.748 1.00 62.21 H new ATOM 0 HB2 ARG A 22 2.477 -7.581 19.795 1.00 72.14 H new ATOM 0 HB3 ARG A 22 2.276 -6.937 18.177 1.00 72.14 H new ATOM 0 HG2 ARG A 22 0.111 -6.495 18.561 1.00 32.32 H new ATOM 0 HG3 ARG A 22 -0.204 -8.165 18.990 1.00 32.32 H new ATOM 0 HD2 ARG A 22 1.011 -7.432 21.270 1.00 50.24 H new ATOM 0 HD3 ARG A 22 0.477 -5.840 20.768 1.00 50.24 H new ATOM 0 HE ARG A 22 -1.634 -7.875 20.657 1.00 72.44 H new ATOM 0 HH11 ARG A 22 0.060 -5.492 22.634 1.00 25.24 H new ATOM 0 HH12 ARG A 22 -1.285 -5.303 23.764 1.00 25.24 H new ATOM 0 HH21 ARG A 22 -3.358 -7.626 22.112 1.00 61.43 H new ATOM 0 HH22 ARG A 22 -3.211 -6.506 23.470 1.00 61.43 H new ATOM 335 N TYR A 23 4.414 -9.431 17.882 1.00 12.44 N ATOM 336 CA TYR A 23 5.629 -9.490 17.079 1.00 50.42 C ATOM 337 C TYR A 23 5.615 -10.706 16.158 1.00 31.13 C ATOM 338 O TYR A 23 6.167 -10.673 15.059 1.00 44.14 O ATOM 339 CB TYR A 23 6.862 -9.535 17.983 1.00 12.41 C ATOM 340 CG TYR A 23 7.101 -10.888 18.615 1.00 55.55 C ATOM 341 CD1 TYR A 23 6.334 -11.319 19.690 1.00 24.21 C ATOM 342 CD2 TYR A 23 8.092 -11.735 18.135 1.00 51.34 C ATOM 343 CE1 TYR A 23 6.550 -12.554 20.270 1.00 33.15 C ATOM 344 CE2 TYR A 23 8.313 -12.972 18.708 1.00 43.02 C ATOM 345 CZ TYR A 23 7.540 -13.377 19.776 1.00 40.13 C ATOM 346 OH TYR A 23 7.757 -14.608 20.350 1.00 33.52 O ATOM 0 H TYR A 23 4.547 -9.666 18.866 1.00 12.44 H new ATOM 0 HA TYR A 23 5.671 -8.591 16.464 1.00 50.42 H new ATOM 0 HB2 TYR A 23 7.740 -9.256 17.400 1.00 12.41 H new ATOM 0 HB3 TYR A 23 6.752 -8.790 18.771 1.00 12.41 H new ATOM 0 HD1 TYR A 23 5.556 -10.678 20.079 1.00 24.21 H new ATOM 0 HD2 TYR A 23 8.700 -11.421 17.300 1.00 51.34 H new ATOM 0 HE1 TYR A 23 5.946 -12.873 21.107 1.00 33.15 H new ATOM 0 HE2 TYR A 23 9.087 -13.619 18.322 1.00 43.02 H new ATOM 0 HH TYR A 23 8.094 -15.230 19.672 1.00 33.52 H new ATOM 356 N ARG A 24 4.978 -11.779 16.616 1.00 24.13 N ATOM 357 CA ARG A 24 4.892 -13.007 15.836 1.00 72.34 C ATOM 358 C ARG A 24 3.992 -12.815 14.618 1.00 23.30 C ATOM 359 O ARG A 24 4.344 -13.210 13.507 1.00 41.42 O ATOM 360 CB ARG A 24 4.359 -14.151 16.701 1.00 1.43 C ATOM 361 CG ARG A 24 4.244 -15.473 15.961 1.00 40.25 C ATOM 362 CD ARG A 24 2.796 -15.806 15.636 1.00 1.35 C ATOM 363 NE ARG A 24 2.430 -15.397 14.283 1.00 63.42 N ATOM 364 CZ ARG A 24 1.233 -15.611 13.749 1.00 31.10 C ATOM 365 NH1 ARG A 24 0.290 -16.225 14.451 1.00 65.10 N ATOM 366 NH2 ARG A 24 0.976 -15.210 12.511 1.00 50.24 N ATOM 0 H ARG A 24 4.514 -11.822 17.523 1.00 24.13 H new ATOM 0 HA ARG A 24 5.895 -13.259 15.491 1.00 72.34 H new ATOM 0 HB2 ARG A 24 5.016 -14.282 17.560 1.00 1.43 H new ATOM 0 HB3 ARG A 24 3.378 -13.875 17.089 1.00 1.43 H new ATOM 0 HG2 ARG A 24 4.823 -15.427 15.039 1.00 40.25 H new ATOM 0 HG3 ARG A 24 4.674 -16.270 16.568 1.00 40.25 H new ATOM 0 HD2 ARG A 24 2.638 -16.879 15.746 1.00 1.35 H new ATOM 0 HD3 ARG A 24 2.141 -15.312 16.354 1.00 1.35 H new ATOM 0 HE ARG A 24 3.132 -14.921 13.717 1.00 63.42 H new ATOM 0 HH11 ARG A 24 0.483 -16.534 15.404 1.00 65.10 H new ATOM 0 HH12 ARG A 24 -0.628 -16.388 14.038 1.00 65.10 H new ATOM 0 HH21 ARG A 24 1.698 -14.737 11.968 1.00 50.24 H new ATOM 0 HH22 ARG A 24 0.056 -15.375 12.102 1.00 50.24 H new ATOM 380 N GLU A 25 2.830 -12.208 14.837 1.00 44.51 N ATOM 381 CA GLU A 25 1.881 -11.965 13.757 1.00 33.03 C ATOM 382 C GLU A 25 2.471 -11.020 12.715 1.00 4.31 C ATOM 383 O GLU A 25 2.100 -11.061 11.543 1.00 55.12 O ATOM 384 CB GLU A 25 0.581 -11.380 14.313 1.00 33.35 C ATOM 385 CG GLU A 25 0.753 -10.013 14.954 1.00 22.53 C ATOM 386 CD GLU A 25 -0.567 -9.297 15.165 1.00 64.11 C ATOM 387 OE1 GLU A 25 -1.620 -9.966 15.109 1.00 24.44 O ATOM 388 OE2 GLU A 25 -0.547 -8.068 15.385 1.00 62.13 O ATOM 0 H GLU A 25 2.523 -11.876 15.751 1.00 44.51 H new ATOM 0 HA GLU A 25 1.666 -12.919 13.276 1.00 33.03 H new ATOM 0 HB2 GLU A 25 -0.148 -11.304 13.506 1.00 33.35 H new ATOM 0 HB3 GLU A 25 0.169 -12.069 15.051 1.00 33.35 H new ATOM 0 HG2 GLU A 25 1.258 -10.127 15.913 1.00 22.53 H new ATOM 0 HG3 GLU A 25 1.398 -9.400 14.325 1.00 22.53 H new ATOM 395 N ALA A 26 3.394 -10.168 13.152 1.00 34.42 N ATOM 396 CA ALA A 26 4.037 -9.214 12.258 1.00 1.11 C ATOM 397 C ALA A 26 5.031 -9.910 11.335 1.00 60.31 C ATOM 398 O ALA A 26 5.183 -9.534 10.172 1.00 40.30 O ATOM 399 CB ALA A 26 4.733 -8.125 13.061 1.00 23.12 C ATOM 0 H ALA A 26 3.712 -10.120 14.120 1.00 34.42 H new ATOM 0 HA ALA A 26 3.265 -8.757 11.639 1.00 1.11 H new ATOM 0 HB1 ALA A 26 5.209 -7.419 12.380 1.00 23.12 H new ATOM 0 HB2 ALA A 26 4.000 -7.600 13.674 1.00 23.12 H new ATOM 0 HB3 ALA A 26 5.489 -8.575 13.705 1.00 23.12 H new ATOM 405 N LEU A 27 5.706 -10.927 11.859 1.00 22.04 N ATOM 406 CA LEU A 27 6.687 -11.676 11.082 1.00 61.40 C ATOM 407 C LEU A 27 6.023 -12.384 9.905 1.00 44.22 C ATOM 408 O LEU A 27 6.637 -12.574 8.854 1.00 21.25 O ATOM 409 CB LEU A 27 7.398 -12.698 11.971 1.00 64.34 C ATOM 410 CG LEU A 27 8.555 -12.163 12.815 1.00 22.33 C ATOM 411 CD1 LEU A 27 8.827 -13.086 13.993 1.00 1.35 C ATOM 412 CD2 LEU A 27 9.806 -12.000 11.964 1.00 11.51 C ATOM 0 H LEU A 27 5.592 -11.252 12.819 1.00 22.04 H new ATOM 0 HA LEU A 27 7.420 -10.971 10.692 1.00 61.40 H new ATOM 0 HB2 LEU A 27 6.661 -13.142 12.640 1.00 64.34 H new ATOM 0 HB3 LEU A 27 7.777 -13.500 11.337 1.00 64.34 H new ATOM 0 HG LEU A 27 8.274 -11.184 13.203 1.00 22.33 H new ATOM 0 HD11 LEU A 27 9.654 -12.690 14.583 1.00 1.35 H new ATOM 0 HD12 LEU A 27 7.935 -13.152 14.617 1.00 1.35 H new ATOM 0 HD13 LEU A 27 9.087 -14.079 13.625 1.00 1.35 H new ATOM 0 HD21 LEU A 27 10.619 -11.618 12.582 1.00 11.51 H new ATOM 0 HD22 LEU A 27 10.090 -12.966 11.546 1.00 11.51 H new ATOM 0 HD23 LEU A 27 9.606 -11.299 11.154 1.00 11.51 H new ATOM 424 N LYS A 28 4.765 -12.770 10.086 1.00 0.32 N ATOM 425 CA LYS A 28 4.015 -13.453 9.039 1.00 42.11 C ATOM 426 C LYS A 28 4.063 -12.665 7.733 1.00 32.35 C ATOM 427 O LYS A 28 4.239 -13.238 6.657 1.00 0.25 O ATOM 428 CB LYS A 28 2.561 -13.654 9.473 1.00 64.34 C ATOM 429 CG LYS A 28 1.967 -14.974 9.013 1.00 73.15 C ATOM 430 CD LYS A 28 0.988 -14.776 7.867 1.00 2.41 C ATOM 431 CE LYS A 28 0.771 -16.065 7.090 1.00 42.34 C ATOM 432 NZ LYS A 28 -0.039 -17.048 7.861 1.00 42.11 N ATOM 0 H LYS A 28 4.243 -12.621 10.949 1.00 0.32 H new ATOM 0 HA LYS A 28 4.476 -14.427 8.873 1.00 42.11 H new ATOM 0 HB2 LYS A 28 2.504 -13.598 10.560 1.00 64.34 H new ATOM 0 HB3 LYS A 28 1.957 -12.836 9.080 1.00 64.34 H new ATOM 0 HG2 LYS A 28 2.767 -15.644 8.698 1.00 73.15 H new ATOM 0 HG3 LYS A 28 1.458 -15.456 9.848 1.00 73.15 H new ATOM 0 HD2 LYS A 28 0.035 -14.421 8.259 1.00 2.41 H new ATOM 0 HD3 LYS A 28 1.364 -14.004 7.195 1.00 2.41 H new ATOM 0 HE2 LYS A 28 0.270 -15.841 6.148 1.00 42.34 H new ATOM 0 HE3 LYS A 28 1.736 -16.506 6.841 1.00 42.34 H new ATOM 0 HZ1 LYS A 28 -0.164 -17.913 7.297 1.00 42.11 H new ATOM 0 HZ2 LYS A 28 0.451 -17.281 8.748 1.00 42.11 H new ATOM 0 HZ3 LYS A 28 -0.970 -16.637 8.077 1.00 42.11 H new ATOM 446 N HIS A 29 3.906 -11.349 7.835 1.00 21.35 N ATOM 447 CA HIS A 29 3.934 -10.483 6.662 1.00 15.14 C ATOM 448 C HIS A 29 5.276 -10.582 5.945 1.00 64.21 C ATOM 449 O HIS A 29 5.361 -10.380 4.733 1.00 10.55 O ATOM 450 CB HIS A 29 3.664 -9.033 7.066 1.00 30.15 C ATOM 451 CG HIS A 29 3.129 -8.190 5.950 1.00 4.32 C ATOM 452 ND1 HIS A 29 2.647 -6.911 6.137 1.00 24.42 N ATOM 453 CD2 HIS A 29 3.004 -8.448 4.627 1.00 0.24 C ATOM 454 CE1 HIS A 29 2.247 -6.420 4.978 1.00 61.20 C ATOM 455 NE2 HIS A 29 2.453 -7.333 4.045 1.00 2.44 N ATOM 0 H HIS A 29 3.758 -10.859 8.717 1.00 21.35 H new ATOM 0 HA HIS A 29 3.152 -10.814 5.978 1.00 15.14 H new ATOM 0 HB2 HIS A 29 2.953 -9.021 7.892 1.00 30.15 H new ATOM 0 HB3 HIS A 29 4.589 -8.589 7.435 1.00 30.15 H new ATOM 0 HD2 HIS A 29 3.285 -9.361 4.123 1.00 0.24 H new ATOM 0 HE1 HIS A 29 1.824 -5.439 4.820 1.00 61.20 H new ATOM 0 HE2 HIS A 29 2.238 -7.227 3.054 1.00 2.44 H new ATOM 463 N PHE A 30 6.324 -10.894 6.701 1.00 71.43 N ATOM 464 CA PHE A 30 7.663 -11.019 6.137 1.00 2.33 C ATOM 465 C PHE A 30 7.832 -12.359 5.427 1.00 2.41 C ATOM 466 O PHE A 30 8.436 -12.435 4.356 1.00 53.20 O ATOM 467 CB PHE A 30 8.717 -10.875 7.237 1.00 64.10 C ATOM 468 CG PHE A 30 10.089 -10.557 6.714 1.00 1.24 C ATOM 469 CD1 PHE A 30 10.388 -9.289 6.242 1.00 21.01 C ATOM 470 CD2 PHE A 30 11.079 -11.526 6.695 1.00 4.30 C ATOM 471 CE1 PHE A 30 11.649 -8.993 5.761 1.00 45.31 C ATOM 472 CE2 PHE A 30 12.343 -11.235 6.215 1.00 34.15 C ATOM 473 CZ PHE A 30 12.628 -9.968 5.747 1.00 53.53 C ATOM 0 H PHE A 30 6.272 -11.065 7.705 1.00 71.43 H new ATOM 0 HA PHE A 30 7.798 -10.222 5.406 1.00 2.33 H new ATOM 0 HB2 PHE A 30 8.408 -10.088 7.925 1.00 64.10 H new ATOM 0 HB3 PHE A 30 8.761 -11.801 7.811 1.00 64.10 H new ATOM 0 HD1 PHE A 30 9.627 -8.523 6.250 1.00 21.01 H new ATOM 0 HD2 PHE A 30 10.861 -12.519 7.059 1.00 4.30 H new ATOM 0 HE1 PHE A 30 11.869 -8.001 5.396 1.00 45.31 H new ATOM 0 HE2 PHE A 30 13.107 -11.999 6.206 1.00 34.15 H new ATOM 0 HZ PHE A 30 13.614 -9.739 5.371 1.00 53.53 H new ATOM 483 N LEU A 31 7.296 -13.413 6.031 1.00 32.21 N ATOM 484 CA LEU A 31 7.387 -14.752 5.458 1.00 51.42 C ATOM 485 C LEU A 31 6.740 -14.798 4.077 1.00 1.22 C ATOM 486 O LEU A 31 7.149 -15.575 3.215 1.00 63.22 O ATOM 487 CB LEU A 31 6.717 -15.770 6.382 1.00 71.22 C ATOM 488 CG LEU A 31 7.658 -16.661 7.193 1.00 21.21 C ATOM 489 CD1 LEU A 31 8.509 -17.520 6.270 1.00 55.32 C ATOM 490 CD2 LEU A 31 8.540 -15.817 8.102 1.00 32.41 C ATOM 0 H LEU A 31 6.794 -13.367 6.918 1.00 32.21 H new ATOM 0 HA LEU A 31 8.442 -15.005 5.353 1.00 51.42 H new ATOM 0 HB2 LEU A 31 6.071 -15.231 7.076 1.00 71.22 H new ATOM 0 HB3 LEU A 31 6.073 -16.410 5.779 1.00 71.22 H new ATOM 0 HG LEU A 31 7.054 -17.321 7.816 1.00 21.21 H new ATOM 0 HD11 LEU A 31 9.172 -18.147 6.866 1.00 55.32 H new ATOM 0 HD12 LEU A 31 7.862 -18.152 5.661 1.00 55.32 H new ATOM 0 HD13 LEU A 31 9.104 -16.877 5.621 1.00 55.32 H new ATOM 0 HD21 LEU A 31 9.203 -16.468 8.672 1.00 32.41 H new ATOM 0 HD22 LEU A 31 9.135 -15.132 7.498 1.00 32.41 H new ATOM 0 HD23 LEU A 31 7.914 -15.246 8.788 1.00 32.41 H new ATOM 502 N ASP A 32 5.730 -13.959 3.875 1.00 60.14 N ATOM 503 CA ASP A 32 5.028 -13.902 2.597 1.00 5.44 C ATOM 504 C ASP A 32 5.906 -13.265 1.524 1.00 55.12 C ATOM 505 O ASP A 32 5.780 -13.577 0.340 1.00 4.53 O ATOM 506 CB ASP A 32 3.725 -13.114 2.742 1.00 23.11 C ATOM 507 CG ASP A 32 2.779 -13.741 3.747 1.00 53.30 C ATOM 508 OD1 ASP A 32 3.114 -14.815 4.288 1.00 73.50 O ATOM 509 OD2 ASP A 32 1.703 -13.156 3.993 1.00 4.10 O ATOM 0 H ASP A 32 5.379 -13.309 4.579 1.00 60.14 H new ATOM 0 HA ASP A 32 4.794 -14.922 2.292 1.00 5.44 H new ATOM 0 HB2 ASP A 32 3.953 -12.093 3.050 1.00 23.11 H new ATOM 0 HB3 ASP A 32 3.231 -13.052 1.772 1.00 23.11 H new ATOM 514 N GLY A 33 6.793 -12.370 1.946 1.00 4.41 N ATOM 515 CA GLY A 33 7.677 -11.702 1.008 1.00 23.24 C ATOM 516 C GLY A 33 8.853 -12.568 0.603 1.00 25.33 C ATOM 517 O GLY A 33 9.277 -12.552 -0.552 1.00 10.34 O ATOM 0 H GLY A 33 6.916 -12.095 2.921 1.00 4.41 H new ATOM 0 HA2 GLY A 33 7.113 -11.421 0.119 1.00 23.24 H new ATOM 0 HA3 GLY A 33 8.046 -10.779 1.455 1.00 23.24 H new ATOM 521 N GLY A 34 9.384 -13.327 1.558 1.00 63.04 N ATOM 522 CA GLY A 34 10.515 -14.192 1.275 1.00 41.42 C ATOM 523 C GLY A 34 10.236 -15.159 0.142 1.00 60.22 C ATOM 524 O GLY A 34 11.150 -15.565 -0.575 1.00 1.01 O ATOM 0 H GLY A 34 9.051 -13.358 2.522 1.00 63.04 H new ATOM 0 HA2 GLY A 34 11.381 -13.581 1.022 1.00 41.42 H new ATOM 0 HA3 GLY A 34 10.772 -14.754 2.173 1.00 41.42 H new ATOM 528 N GLU A 35 8.970 -15.531 -0.019 1.00 13.41 N ATOM 529 CA GLU A 35 8.574 -16.459 -1.072 1.00 24.05 C ATOM 530 C GLU A 35 8.549 -15.763 -2.429 1.00 63.24 C ATOM 531 O GLU A 35 8.551 -16.416 -3.473 1.00 1.41 O ATOM 532 CB GLU A 35 7.199 -17.055 -0.766 1.00 73.32 C ATOM 533 CG GLU A 35 7.204 -18.035 0.395 1.00 62.30 C ATOM 534 CD GLU A 35 7.245 -19.481 -0.062 1.00 14.33 C ATOM 535 OE1 GLU A 35 6.529 -19.819 -1.027 1.00 52.44 O ATOM 536 OE2 GLU A 35 7.993 -20.274 0.547 1.00 12.13 O ATOM 0 H GLU A 35 8.201 -15.204 0.566 1.00 13.41 H new ATOM 0 HA GLU A 35 9.310 -17.262 -1.109 1.00 24.05 H new ATOM 0 HB2 GLU A 35 6.503 -16.246 -0.544 1.00 73.32 H new ATOM 0 HB3 GLU A 35 6.826 -17.561 -1.656 1.00 73.32 H new ATOM 0 HG2 GLU A 35 8.066 -17.834 1.031 1.00 62.30 H new ATOM 0 HG3 GLU A 35 6.314 -17.875 1.004 1.00 62.30 H new ATOM 543 N MET A 36 8.525 -14.435 -2.406 1.00 43.45 N ATOM 544 CA MET A 36 8.500 -13.650 -3.635 1.00 43.24 C ATOM 545 C MET A 36 9.840 -13.732 -4.360 1.00 72.45 C ATOM 546 O MET A 36 9.901 -13.622 -5.585 1.00 53.14 O ATOM 547 CB MET A 36 8.163 -12.190 -3.327 1.00 4.24 C ATOM 548 CG MET A 36 6.826 -12.010 -2.628 1.00 13.53 C ATOM 549 SD MET A 36 5.487 -11.636 -3.776 1.00 73.31 S ATOM 550 CE MET A 36 4.058 -12.029 -2.770 1.00 21.33 C ATOM 0 H MET A 36 8.522 -13.880 -1.550 1.00 43.45 H new ATOM 0 HA MET A 36 7.729 -14.064 -4.285 1.00 43.24 H new ATOM 0 HB2 MET A 36 8.950 -11.768 -2.702 1.00 4.24 H new ATOM 0 HB3 MET A 36 8.156 -11.623 -4.258 1.00 4.24 H new ATOM 0 HG2 MET A 36 6.584 -12.918 -2.077 1.00 13.53 H new ATOM 0 HG3 MET A 36 6.908 -11.206 -1.897 1.00 13.53 H new ATOM 0 HE1 MET A 36 3.149 -11.848 -3.343 1.00 21.33 H new ATOM 0 HE2 MET A 36 4.098 -13.077 -2.474 1.00 21.33 H new ATOM 0 HE3 MET A 36 4.056 -11.401 -1.879 1.00 21.33 H new ATOM 560 N ILE A 37 10.910 -13.927 -3.597 1.00 12.30 N ATOM 561 CA ILE A 37 12.247 -14.025 -4.168 1.00 4.41 C ATOM 562 C ILE A 37 12.498 -15.413 -4.745 1.00 63.53 C ATOM 563 O ILE A 37 13.325 -15.585 -5.641 1.00 71.13 O ATOM 564 CB ILE A 37 13.331 -13.714 -3.119 1.00 3.41 C ATOM 565 CG1 ILE A 37 14.615 -13.242 -3.805 1.00 1.22 C ATOM 566 CG2 ILE A 37 13.603 -14.939 -2.259 1.00 2.21 C ATOM 567 CD1 ILE A 37 15.659 -12.723 -2.841 1.00 64.21 C ATOM 0 H ILE A 37 10.877 -14.020 -2.582 1.00 12.30 H new ATOM 0 HA ILE A 37 12.303 -13.286 -4.967 1.00 4.41 H new ATOM 0 HB ILE A 37 12.971 -12.913 -2.473 1.00 3.41 H new ATOM 0 HG12 ILE A 37 15.038 -14.069 -4.375 1.00 1.22 H new ATOM 0 HG13 ILE A 37 14.368 -12.456 -4.519 1.00 1.22 H new ATOM 0 HG21 ILE A 37 14.371 -14.703 -1.523 1.00 2.21 H new ATOM 0 HG22 ILE A 37 12.687 -15.234 -1.746 1.00 2.21 H new ATOM 0 HG23 ILE A 37 13.945 -15.758 -2.891 1.00 2.21 H new ATOM 0 HD11 ILE A 37 16.542 -12.406 -3.397 1.00 64.21 H new ATOM 0 HD12 ILE A 37 15.254 -11.875 -2.288 1.00 64.21 H new ATOM 0 HD13 ILE A 37 15.934 -13.513 -2.143 1.00 64.21 H new ATOM 579 N VAL A 38 11.778 -16.403 -4.227 1.00 53.01 N ATOM 580 CA VAL A 38 11.919 -17.777 -4.693 1.00 25.31 C ATOM 581 C VAL A 38 11.399 -17.931 -6.117 1.00 72.25 C ATOM 582 O VAL A 38 11.997 -18.628 -6.938 1.00 44.40 O ATOM 583 CB VAL A 38 11.170 -18.761 -3.775 1.00 21.20 C ATOM 584 CG1 VAL A 38 11.297 -20.183 -4.300 1.00 32.34 C ATOM 585 CG2 VAL A 38 11.691 -18.662 -2.349 1.00 44.44 C ATOM 0 H VAL A 38 11.091 -16.279 -3.484 1.00 53.01 H new ATOM 0 HA VAL A 38 12.984 -18.010 -4.671 1.00 25.31 H new ATOM 0 HB VAL A 38 10.113 -18.494 -3.770 1.00 21.20 H new ATOM 0 HG11 VAL A 38 10.762 -20.864 -3.639 1.00 32.34 H new ATOM 0 HG12 VAL A 38 10.871 -20.240 -5.302 1.00 32.34 H new ATOM 0 HG13 VAL A 38 12.349 -20.465 -4.336 1.00 32.34 H new ATOM 0 HG21 VAL A 38 11.150 -19.364 -1.715 1.00 44.44 H new ATOM 0 HG22 VAL A 38 12.754 -18.902 -2.333 1.00 44.44 H new ATOM 0 HG23 VAL A 38 11.542 -17.648 -1.977 1.00 44.44 H new ATOM 595 N THR A 39 10.279 -17.276 -6.406 1.00 53.25 N ATOM 596 CA THR A 39 9.676 -17.340 -7.732 1.00 0.32 C ATOM 597 C THR A 39 10.701 -17.031 -8.817 1.00 52.03 C ATOM 598 O THR A 39 10.599 -17.527 -9.939 1.00 3.10 O ATOM 599 CB THR A 39 8.497 -16.357 -7.861 1.00 33.33 C ATOM 600 OG1 THR A 39 7.702 -16.693 -9.003 1.00 71.25 O ATOM 601 CG2 THR A 39 8.996 -14.926 -7.987 1.00 1.10 C ATOM 0 H THR A 39 9.771 -16.695 -5.739 1.00 53.25 H new ATOM 0 HA THR A 39 9.307 -18.357 -7.863 1.00 0.32 H new ATOM 0 HB THR A 39 7.889 -16.434 -6.960 1.00 33.33 H new ATOM 0 HG1 THR A 39 6.954 -16.064 -9.077 1.00 71.25 H new ATOM 0 HG21 THR A 39 8.145 -14.251 -8.077 1.00 1.10 H new ATOM 0 HG22 THR A 39 9.576 -14.664 -7.102 1.00 1.10 H new ATOM 0 HG23 THR A 39 9.625 -14.837 -8.873 1.00 1.10 H new ATOM 609 N ALA A 40 11.688 -16.209 -8.476 1.00 70.31 N ATOM 610 CA ALA A 40 12.733 -15.837 -9.421 1.00 41.14 C ATOM 611 C ALA A 40 13.726 -16.977 -9.620 1.00 32.43 C ATOM 612 O ALA A 40 14.210 -17.206 -10.728 1.00 10.33 O ATOM 613 CB ALA A 40 13.454 -14.584 -8.945 1.00 74.31 C ATOM 0 H ALA A 40 11.786 -15.788 -7.552 1.00 70.31 H new ATOM 0 HA ALA A 40 12.261 -15.629 -10.382 1.00 41.14 H new ATOM 0 HB1 ALA A 40 14.232 -14.318 -9.661 1.00 74.31 H new ATOM 0 HB2 ALA A 40 12.741 -13.764 -8.862 1.00 74.31 H new ATOM 0 HB3 ALA A 40 13.906 -14.772 -7.971 1.00 74.31 H new ATOM 619 N ALA A 41 14.025 -17.690 -8.538 1.00 41.15 N ATOM 620 CA ALA A 41 14.959 -18.807 -8.594 1.00 62.45 C ATOM 621 C ALA A 41 14.322 -20.023 -9.258 1.00 75.21 C ATOM 622 O ALA A 41 14.922 -20.652 -10.129 1.00 53.32 O ATOM 623 CB ALA A 41 15.444 -19.160 -7.196 1.00 62.52 C ATOM 0 H ALA A 41 13.634 -17.513 -7.613 1.00 41.15 H new ATOM 0 HA ALA A 41 15.814 -18.503 -9.197 1.00 62.45 H new ATOM 0 HB1 ALA A 41 16.141 -19.996 -7.253 1.00 62.52 H new ATOM 0 HB2 ALA A 41 15.946 -18.298 -6.757 1.00 62.52 H new ATOM 0 HB3 ALA A 41 14.593 -19.439 -6.575 1.00 62.52 H new ATOM 629 N GLU A 42 13.102 -20.349 -8.839 1.00 45.15 N ATOM 630 CA GLU A 42 12.385 -21.491 -9.393 1.00 61.23 C ATOM 631 C GLU A 42 12.288 -21.388 -10.913 1.00 13.23 C ATOM 632 O GLU A 42 12.688 -22.300 -11.636 1.00 23.32 O ATOM 633 CB GLU A 42 10.984 -21.584 -8.787 1.00 35.43 C ATOM 634 CG GLU A 42 10.984 -21.736 -7.275 1.00 15.12 C ATOM 635 CD GLU A 42 9.679 -22.298 -6.745 1.00 31.52 C ATOM 636 OE1 GLU A 42 8.640 -22.119 -7.415 1.00 4.41 O ATOM 637 OE2 GLU A 42 9.696 -22.918 -5.661 1.00 1.12 O ATOM 0 H GLU A 42 12.591 -19.839 -8.119 1.00 45.15 H new ATOM 0 HA GLU A 42 12.942 -22.394 -9.142 1.00 61.23 H new ATOM 0 HB2 GLU A 42 10.422 -20.689 -9.054 1.00 35.43 H new ATOM 0 HB3 GLU A 42 10.462 -22.432 -9.229 1.00 35.43 H new ATOM 0 HG2 GLU A 42 11.804 -22.391 -6.979 1.00 15.12 H new ATOM 0 HG3 GLU A 42 11.170 -20.765 -6.816 1.00 15.12 H new ATOM 644 N LYS A 43 11.752 -20.270 -11.391 1.00 10.24 N ATOM 645 CA LYS A 43 11.601 -20.044 -12.823 1.00 64.42 C ATOM 646 C LYS A 43 12.950 -20.128 -13.532 1.00 14.22 C ATOM 647 O LYS A 43 13.017 -20.436 -14.721 1.00 41.42 O ATOM 648 CB LYS A 43 10.961 -18.678 -13.081 1.00 25.31 C ATOM 649 CG LYS A 43 9.636 -18.757 -13.819 1.00 43.10 C ATOM 650 CD LYS A 43 8.594 -17.846 -13.192 1.00 41.15 C ATOM 651 CE LYS A 43 7.510 -17.469 -14.191 1.00 64.21 C ATOM 652 NZ LYS A 43 7.831 -16.203 -14.906 1.00 13.32 N ATOM 0 H LYS A 43 11.415 -19.505 -10.806 1.00 10.24 H new ATOM 0 HA LYS A 43 10.951 -20.823 -13.222 1.00 64.42 H new ATOM 0 HB2 LYS A 43 10.807 -18.172 -12.128 1.00 25.31 H new ATOM 0 HB3 LYS A 43 11.653 -18.065 -13.659 1.00 25.31 H new ATOM 0 HG2 LYS A 43 9.783 -18.479 -14.863 1.00 43.10 H new ATOM 0 HG3 LYS A 43 9.274 -19.785 -13.810 1.00 43.10 H new ATOM 0 HD2 LYS A 43 8.142 -18.344 -12.334 1.00 41.15 H new ATOM 0 HD3 LYS A 43 9.076 -16.943 -12.819 1.00 41.15 H new ATOM 0 HE2 LYS A 43 7.388 -18.274 -14.915 1.00 64.21 H new ATOM 0 HE3 LYS A 43 6.558 -17.361 -13.671 1.00 64.21 H new ATOM 0 HZ1 LYS A 43 7.069 -15.981 -15.577 1.00 13.32 H new ATOM 0 HZ2 LYS A 43 7.923 -15.429 -14.217 1.00 13.32 H new ATOM 0 HZ3 LYS A 43 8.726 -16.314 -15.423 1.00 13.32 H new ATOM 666 N GLU A 44 14.020 -19.853 -12.792 1.00 53.05 N ATOM 667 CA GLU A 44 15.366 -19.898 -13.352 1.00 33.14 C ATOM 668 C GLU A 44 16.069 -21.198 -12.972 1.00 61.01 C ATOM 669 O GLU A 44 15.481 -22.072 -12.336 1.00 53.30 O ATOM 670 CB GLU A 44 16.185 -18.701 -12.864 1.00 73.13 C ATOM 671 CG GLU A 44 15.651 -17.362 -13.346 1.00 24.25 C ATOM 672 CD GLU A 44 15.644 -17.246 -14.857 1.00 62.44 C ATOM 673 OE1 GLU A 44 16.713 -16.957 -15.435 1.00 2.44 O ATOM 674 OE2 GLU A 44 14.571 -17.445 -15.463 1.00 74.02 O ATOM 0 H GLU A 44 13.981 -19.597 -11.805 1.00 53.05 H new ATOM 0 HA GLU A 44 15.283 -19.854 -14.438 1.00 33.14 H new ATOM 0 HB2 GLU A 44 16.204 -18.704 -11.774 1.00 73.13 H new ATOM 0 HB3 GLU A 44 17.215 -18.815 -13.201 1.00 73.13 H new ATOM 0 HG2 GLU A 44 14.637 -17.223 -12.970 1.00 24.25 H new ATOM 0 HG3 GLU A 44 16.259 -16.560 -12.927 1.00 24.25 H new ATOM 681 N ALA A 45 17.332 -21.318 -13.368 1.00 41.21 N ATOM 682 CA ALA A 45 18.117 -22.509 -13.069 1.00 33.20 C ATOM 683 C ALA A 45 19.599 -22.273 -13.339 1.00 12.30 C ATOM 684 O ALA A 45 20.426 -22.356 -12.431 1.00 51.21 O ATOM 685 CB ALA A 45 17.612 -23.692 -13.883 1.00 1.41 C ATOM 0 H ALA A 45 17.833 -20.604 -13.897 1.00 41.21 H new ATOM 0 HA ALA A 45 18.000 -22.734 -12.009 1.00 33.20 H new ATOM 0 HB1 ALA A 45 18.207 -24.575 -13.650 1.00 1.41 H new ATOM 0 HB2 ALA A 45 16.567 -23.883 -13.637 1.00 1.41 H new ATOM 0 HB3 ALA A 45 17.699 -23.466 -14.946 1.00 1.41 H new ATOM 691 N SER A 46 19.928 -21.978 -14.593 1.00 35.22 N ATOM 692 CA SER A 46 21.311 -21.734 -14.983 1.00 62.10 C ATOM 693 C SER A 46 21.646 -20.248 -14.895 1.00 62.24 C ATOM 694 O SER A 46 22.088 -19.643 -15.871 1.00 41.25 O ATOM 695 CB SER A 46 21.559 -22.241 -16.405 1.00 23.52 C ATOM 696 OG SER A 46 22.937 -22.187 -16.733 1.00 11.04 O ATOM 0 H SER A 46 19.255 -21.902 -15.356 1.00 35.22 H new ATOM 0 HA SER A 46 21.958 -22.276 -14.294 1.00 62.10 H new ATOM 0 HB2 SER A 46 21.200 -23.266 -16.497 1.00 23.52 H new ATOM 0 HB3 SER A 46 20.990 -21.639 -17.113 1.00 23.52 H new ATOM 0 HG SER A 46 23.247 -21.258 -16.693 1.00 11.04 H new ATOM 702 N GLN A 47 21.432 -19.668 -13.719 1.00 21.21 N ATOM 703 CA GLN A 47 21.710 -18.253 -13.503 1.00 65.24 C ATOM 704 C GLN A 47 22.563 -18.050 -12.255 1.00 61.03 C ATOM 705 O GLN A 47 22.445 -18.794 -11.281 1.00 53.14 O ATOM 706 CB GLN A 47 20.404 -17.468 -13.376 1.00 73.31 C ATOM 707 CG GLN A 47 20.516 -16.022 -13.831 1.00 31.11 C ATOM 708 CD GLN A 47 20.208 -15.848 -15.305 1.00 63.41 C ATOM 709 OE1 GLN A 47 21.058 -16.095 -16.162 1.00 33.43 O ATOM 710 NE2 GLN A 47 18.988 -15.421 -15.609 1.00 62.42 N ATOM 0 H GLN A 47 21.067 -20.156 -12.901 1.00 21.21 H new ATOM 0 HA GLN A 47 22.265 -17.882 -14.365 1.00 65.24 H new ATOM 0 HB2 GLN A 47 19.632 -17.966 -13.963 1.00 73.31 H new ATOM 0 HB3 GLN A 47 20.077 -17.489 -12.336 1.00 73.31 H new ATOM 0 HG2 GLN A 47 19.832 -15.407 -13.246 1.00 31.11 H new ATOM 0 HG3 GLN A 47 21.524 -15.659 -13.629 1.00 31.11 H new ATOM 0 HE21 GLN A 47 18.315 -15.229 -14.867 1.00 62.42 H new ATOM 0 HE22 GLN A 47 18.724 -15.285 -16.585 1.00 62.42 H new ATOM 719 N LYS A 48 23.423 -17.038 -12.291 1.00 23.02 N ATOM 720 CA LYS A 48 24.296 -16.735 -11.163 1.00 22.21 C ATOM 721 C LYS A 48 23.517 -16.062 -10.037 1.00 42.15 C ATOM 722 O LYS A 48 23.791 -16.287 -8.858 1.00 72.05 O ATOM 723 CB LYS A 48 25.448 -15.833 -11.611 1.00 2.12 C ATOM 724 CG LYS A 48 26.178 -16.343 -12.841 1.00 74.44 C ATOM 725 CD LYS A 48 27.671 -16.074 -12.757 1.00 14.43 C ATOM 726 CE LYS A 48 28.249 -15.710 -14.115 1.00 41.45 C ATOM 727 NZ LYS A 48 29.163 -16.766 -14.630 1.00 65.41 N ATOM 0 H LYS A 48 23.534 -16.413 -13.090 1.00 23.02 H new ATOM 0 HA LYS A 48 24.703 -17.674 -10.788 1.00 22.21 H new ATOM 0 HB2 LYS A 48 25.058 -14.836 -11.818 1.00 2.12 H new ATOM 0 HB3 LYS A 48 26.160 -15.734 -10.792 1.00 2.12 H new ATOM 0 HG2 LYS A 48 26.006 -17.414 -12.949 1.00 74.44 H new ATOM 0 HG3 LYS A 48 25.771 -15.864 -13.731 1.00 74.44 H new ATOM 0 HD2 LYS A 48 27.857 -15.263 -12.052 1.00 14.43 H new ATOM 0 HD3 LYS A 48 28.179 -16.957 -12.369 1.00 14.43 H new ATOM 0 HE2 LYS A 48 27.437 -15.555 -14.825 1.00 41.45 H new ATOM 0 HE3 LYS A 48 28.790 -14.767 -14.038 1.00 41.45 H new ATOM 0 HZ1 LYS A 48 29.536 -16.480 -15.558 1.00 65.41 H new ATOM 0 HZ2 LYS A 48 29.952 -16.897 -13.965 1.00 65.41 H new ATOM 0 HZ3 LYS A 48 28.641 -17.660 -14.728 1.00 65.41 H new ATOM 741 N VAL A 49 22.544 -15.236 -10.409 1.00 43.21 N ATOM 742 CA VAL A 49 21.724 -14.532 -9.431 1.00 12.12 C ATOM 743 C VAL A 49 20.678 -15.459 -8.821 1.00 64.32 C ATOM 744 O VAL A 49 20.304 -15.310 -7.658 1.00 23.01 O ATOM 745 CB VAL A 49 21.013 -13.320 -10.062 1.00 62.13 C ATOM 746 CG1 VAL A 49 22.028 -12.277 -10.505 1.00 12.34 C ATOM 747 CG2 VAL A 49 20.146 -13.761 -11.231 1.00 73.34 C ATOM 0 H VAL A 49 22.305 -15.038 -11.381 1.00 43.21 H new ATOM 0 HA VAL A 49 22.397 -14.182 -8.648 1.00 12.12 H new ATOM 0 HB VAL A 49 20.367 -12.867 -9.310 1.00 62.13 H new ATOM 0 HG11 VAL A 49 21.508 -11.428 -10.948 1.00 12.34 H new ATOM 0 HG12 VAL A 49 22.603 -11.940 -9.643 1.00 12.34 H new ATOM 0 HG13 VAL A 49 22.702 -12.715 -11.242 1.00 12.34 H new ATOM 0 HG21 VAL A 49 19.651 -12.892 -11.665 1.00 73.34 H new ATOM 0 HG22 VAL A 49 20.770 -14.239 -11.987 1.00 73.34 H new ATOM 0 HG23 VAL A 49 19.395 -14.469 -10.880 1.00 73.34 H new ATOM 757 N ARG A 50 20.211 -16.418 -9.615 1.00 10.44 N ATOM 758 CA ARG A 50 19.208 -17.370 -9.153 1.00 52.44 C ATOM 759 C ARG A 50 19.639 -18.022 -7.843 1.00 64.45 C ATOM 760 O ARG A 50 18.813 -18.303 -6.977 1.00 11.24 O ATOM 761 CB ARG A 50 18.967 -18.444 -10.216 1.00 13.33 C ATOM 762 CG ARG A 50 18.105 -19.598 -9.730 1.00 54.44 C ATOM 763 CD ARG A 50 18.895 -20.895 -9.666 1.00 42.01 C ATOM 764 NE ARG A 50 19.400 -21.162 -8.322 1.00 63.00 N ATOM 765 CZ ARG A 50 19.957 -22.313 -7.961 1.00 43.25 C ATOM 766 NH1 ARG A 50 20.080 -23.298 -8.841 1.00 4.35 N ATOM 767 NH2 ARG A 50 20.393 -22.480 -6.719 1.00 41.14 N ATOM 0 H ARG A 50 20.511 -16.556 -10.580 1.00 10.44 H new ATOM 0 HA ARG A 50 18.280 -16.826 -8.979 1.00 52.44 H new ATOM 0 HB2 ARG A 50 18.491 -17.985 -11.083 1.00 13.33 H new ATOM 0 HB3 ARG A 50 19.928 -18.835 -10.550 1.00 13.33 H new ATOM 0 HG2 ARG A 50 17.706 -19.365 -8.743 1.00 54.44 H new ATOM 0 HG3 ARG A 50 17.252 -19.723 -10.397 1.00 54.44 H new ATOM 0 HD2 ARG A 50 18.261 -21.722 -9.986 1.00 42.01 H new ATOM 0 HD3 ARG A 50 19.731 -20.845 -10.364 1.00 42.01 H new ATOM 0 HE ARG A 50 19.321 -20.424 -7.622 1.00 63.00 H new ATOM 0 HH11 ARG A 50 19.747 -23.173 -9.797 1.00 4.35 H new ATOM 0 HH12 ARG A 50 20.508 -24.181 -8.562 1.00 4.35 H new ATOM 0 HH21 ARG A 50 20.301 -21.724 -6.040 1.00 41.14 H new ATOM 0 HH22 ARG A 50 20.820 -23.364 -6.443 1.00 41.14 H new ATOM 781 N ASN A 51 20.940 -18.262 -7.708 1.00 13.21 N ATOM 782 CA ASN A 51 21.481 -18.883 -6.504 1.00 42.34 C ATOM 783 C ASN A 51 21.519 -17.887 -5.349 1.00 34.53 C ATOM 784 O ASN A 51 21.394 -18.267 -4.184 1.00 30.25 O ATOM 785 CB ASN A 51 22.887 -19.423 -6.773 1.00 22.03 C ATOM 786 CG ASN A 51 23.406 -20.277 -5.632 1.00 12.13 C ATOM 787 OD1 ASN A 51 22.629 -20.860 -4.875 1.00 41.21 O ATOM 788 ND2 ASN A 51 24.725 -20.354 -5.503 1.00 43.00 N ATOM 0 H ASN A 51 21.638 -18.036 -8.417 1.00 13.21 H new ATOM 0 HA ASN A 51 20.828 -19.710 -6.226 1.00 42.34 H new ATOM 0 HB2 ASN A 51 22.878 -20.013 -7.690 1.00 22.03 H new ATOM 0 HB3 ASN A 51 23.569 -18.588 -6.938 1.00 22.03 H new ATOM 0 HD21 ASN A 51 25.132 -20.913 -4.753 1.00 43.00 H new ATOM 0 HD22 ASN A 51 25.331 -19.854 -6.153 1.00 43.00 H new ATOM 795 N LEU A 52 21.690 -16.612 -5.679 1.00 24.32 N ATOM 796 CA LEU A 52 21.744 -15.561 -4.669 1.00 15.03 C ATOM 797 C LEU A 52 20.345 -15.215 -4.168 1.00 73.34 C ATOM 798 O LEU A 52 20.150 -14.925 -2.987 1.00 62.22 O ATOM 799 CB LEU A 52 22.417 -14.312 -5.240 1.00 14.44 C ATOM 800 CG LEU A 52 23.198 -13.455 -4.243 1.00 30.14 C ATOM 801 CD1 LEU A 52 23.951 -12.348 -4.965 1.00 32.54 C ATOM 802 CD2 LEU A 52 22.263 -12.870 -3.194 1.00 72.32 C ATOM 0 H LEU A 52 21.794 -16.281 -6.638 1.00 24.32 H new ATOM 0 HA LEU A 52 22.330 -15.930 -3.827 1.00 15.03 H new ATOM 0 HB2 LEU A 52 23.097 -14.621 -6.034 1.00 14.44 H new ATOM 0 HB3 LEU A 52 21.650 -13.689 -5.701 1.00 14.44 H new ATOM 0 HG LEU A 52 23.925 -14.091 -3.738 1.00 30.14 H new ATOM 0 HD11 LEU A 52 24.501 -11.749 -4.239 1.00 32.54 H new ATOM 0 HD12 LEU A 52 24.650 -12.788 -5.677 1.00 32.54 H new ATOM 0 HD13 LEU A 52 23.243 -11.713 -5.497 1.00 32.54 H new ATOM 0 HD21 LEU A 52 22.837 -12.263 -2.493 1.00 72.32 H new ATOM 0 HD22 LEU A 52 21.512 -12.249 -3.682 1.00 72.32 H new ATOM 0 HD23 LEU A 52 21.770 -13.679 -2.655 1.00 72.32 H new ATOM 814 N LEU A 53 19.373 -15.250 -5.074 1.00 0.04 N ATOM 815 CA LEU A 53 17.990 -14.943 -4.724 1.00 44.41 C ATOM 816 C LEU A 53 17.505 -15.836 -3.587 1.00 74.13 C ATOM 817 O LEU A 53 16.808 -15.380 -2.679 1.00 62.42 O ATOM 818 CB LEU A 53 17.085 -15.114 -5.945 1.00 50.50 C ATOM 819 CG LEU A 53 16.966 -13.900 -6.867 1.00 52.25 C ATOM 820 CD1 LEU A 53 17.393 -14.260 -8.282 1.00 31.42 C ATOM 821 CD2 LEU A 53 15.543 -13.361 -6.859 1.00 74.21 C ATOM 0 H LEU A 53 19.517 -15.488 -6.055 1.00 0.04 H new ATOM 0 HA LEU A 53 17.947 -13.906 -4.390 1.00 44.41 H new ATOM 0 HB2 LEU A 53 17.454 -15.956 -6.531 1.00 50.50 H new ATOM 0 HB3 LEU A 53 16.087 -15.381 -5.598 1.00 50.50 H new ATOM 0 HG LEU A 53 17.631 -13.120 -6.496 1.00 52.25 H new ATOM 0 HD11 LEU A 53 17.302 -13.384 -8.924 1.00 31.42 H new ATOM 0 HD12 LEU A 53 18.429 -14.598 -8.275 1.00 31.42 H new ATOM 0 HD13 LEU A 53 16.754 -15.057 -8.663 1.00 31.42 H new ATOM 0 HD21 LEU A 53 15.477 -12.497 -7.521 1.00 74.21 H new ATOM 0 HD22 LEU A 53 14.859 -14.136 -7.205 1.00 74.21 H new ATOM 0 HD23 LEU A 53 15.272 -13.063 -5.846 1.00 74.21 H new ATOM 833 N LEU A 54 17.878 -17.110 -3.642 1.00 53.14 N ATOM 834 CA LEU A 54 17.482 -18.068 -2.616 1.00 20.11 C ATOM 835 C LEU A 54 18.300 -17.872 -1.343 1.00 52.34 C ATOM 836 O LEU A 54 17.755 -17.852 -0.239 1.00 53.14 O ATOM 837 CB LEU A 54 17.655 -19.498 -3.131 1.00 51.13 C ATOM 838 CG LEU A 54 16.958 -19.824 -4.453 1.00 11.13 C ATOM 839 CD1 LEU A 54 17.800 -20.785 -5.277 1.00 71.04 C ATOM 840 CD2 LEU A 54 15.576 -20.407 -4.197 1.00 31.41 C ATOM 0 H LEU A 54 18.454 -17.503 -4.386 1.00 53.14 H new ATOM 0 HA LEU A 54 16.431 -17.897 -2.381 1.00 20.11 H new ATOM 0 HB2 LEU A 54 18.721 -19.695 -3.247 1.00 51.13 H new ATOM 0 HB3 LEU A 54 17.285 -20.184 -2.369 1.00 51.13 H new ATOM 0 HG LEU A 54 16.841 -18.899 -5.018 1.00 11.13 H new ATOM 0 HD11 LEU A 54 17.288 -21.006 -6.214 1.00 71.04 H new ATOM 0 HD12 LEU A 54 18.767 -20.330 -5.490 1.00 71.04 H new ATOM 0 HD13 LEU A 54 17.949 -21.709 -4.719 1.00 71.04 H new ATOM 0 HD21 LEU A 54 15.095 -20.633 -5.148 1.00 31.41 H new ATOM 0 HD22 LEU A 54 15.670 -21.322 -3.611 1.00 31.41 H new ATOM 0 HD23 LEU A 54 14.972 -19.685 -3.648 1.00 31.41 H new ATOM 852 N HIS A 55 19.611 -17.725 -1.506 1.00 0.45 N ATOM 853 CA HIS A 55 20.504 -17.527 -0.370 1.00 3.54 C ATOM 854 C HIS A 55 20.060 -16.332 0.469 1.00 32.12 C ATOM 855 O HIS A 55 19.930 -16.431 1.690 1.00 54.35 O ATOM 856 CB HIS A 55 21.940 -17.319 -0.853 1.00 30.22 C ATOM 857 CG HIS A 55 22.969 -17.929 0.048 1.00 2.13 C ATOM 858 ND1 HIS A 55 24.096 -17.254 0.469 1.00 33.11 N ATOM 859 CD2 HIS A 55 23.037 -19.158 0.611 1.00 72.22 C ATOM 860 CE1 HIS A 55 24.813 -18.042 1.250 1.00 75.50 C ATOM 861 NE2 HIS A 55 24.192 -19.204 1.353 1.00 55.34 N ATOM 0 H HIS A 55 20.078 -17.739 -2.413 1.00 0.45 H new ATOM 0 HA HIS A 55 20.463 -18.421 0.252 1.00 3.54 H new ATOM 0 HB2 HIS A 55 22.044 -17.745 -1.851 1.00 30.22 H new ATOM 0 HB3 HIS A 55 22.134 -16.250 -0.941 1.00 30.22 H new ATOM 0 HD2 HIS A 55 22.317 -19.955 0.498 1.00 72.22 H new ATOM 0 HE1 HIS A 55 25.748 -17.781 1.724 1.00 75.50 H new ATOM 0 HE2 HIS A 55 24.517 -20.004 1.895 1.00 55.34 H new ATOM 869 N LYS A 56 19.829 -15.203 -0.193 1.00 21.51 N ATOM 870 CA LYS A 56 19.399 -13.989 0.490 1.00 32.33 C ATOM 871 C LYS A 56 17.930 -14.082 0.891 1.00 51.22 C ATOM 872 O LYS A 56 17.475 -13.372 1.787 1.00 52.14 O ATOM 873 CB LYS A 56 19.618 -12.769 -0.408 1.00 32.55 C ATOM 874 CG LYS A 56 20.929 -12.050 -0.146 1.00 45.43 C ATOM 875 CD LYS A 56 20.896 -11.289 1.169 1.00 51.14 C ATOM 876 CE LYS A 56 22.183 -11.480 1.956 1.00 42.30 C ATOM 877 NZ LYS A 56 21.959 -11.359 3.423 1.00 1.32 N ATOM 0 H LYS A 56 19.933 -15.104 -1.203 1.00 21.51 H new ATOM 0 HA LYS A 56 19.998 -13.879 1.394 1.00 32.33 H new ATOM 0 HB2 LYS A 56 19.589 -13.086 -1.451 1.00 32.55 H new ATOM 0 HB3 LYS A 56 18.794 -12.070 -0.264 1.00 32.55 H new ATOM 0 HG2 LYS A 56 21.744 -12.773 -0.128 1.00 45.43 H new ATOM 0 HG3 LYS A 56 21.135 -11.358 -0.963 1.00 45.43 H new ATOM 0 HD2 LYS A 56 20.742 -10.228 0.973 1.00 51.14 H new ATOM 0 HD3 LYS A 56 20.050 -11.629 1.766 1.00 51.14 H new ATOM 0 HE2 LYS A 56 22.603 -12.461 1.732 1.00 42.30 H new ATOM 0 HE3 LYS A 56 22.916 -10.739 1.638 1.00 42.30 H new ATOM 0 HZ1 LYS A 56 22.860 -11.495 3.924 1.00 1.32 H new ATOM 0 HZ2 LYS A 56 21.582 -10.414 3.640 1.00 1.32 H new ATOM 0 HZ3 LYS A 56 21.278 -12.083 3.731 1.00 1.32 H new ATOM 891 N GLY A 57 17.193 -14.963 0.222 1.00 72.25 N ATOM 892 CA GLY A 57 15.784 -15.133 0.523 1.00 35.04 C ATOM 893 C GLY A 57 15.554 -15.814 1.858 1.00 65.40 C ATOM 894 O GLY A 57 14.823 -15.304 2.707 1.00 61.30 O ATOM 0 H GLY A 57 17.547 -15.562 -0.524 1.00 72.25 H new ATOM 0 HA2 GLY A 57 15.296 -14.158 0.527 1.00 35.04 H new ATOM 0 HA3 GLY A 57 15.315 -15.720 -0.267 1.00 35.04 H new ATOM 898 N LYS A 58 16.180 -16.972 2.044 1.00 14.14 N ATOM 899 CA LYS A 58 16.041 -17.726 3.285 1.00 52.23 C ATOM 900 C LYS A 58 16.853 -17.084 4.405 1.00 33.13 C ATOM 901 O LYS A 58 16.617 -17.348 5.584 1.00 72.13 O ATOM 902 CB LYS A 58 16.491 -19.174 3.079 1.00 45.33 C ATOM 903 CG LYS A 58 17.844 -19.484 3.697 1.00 52.41 C ATOM 904 CD LYS A 58 18.970 -18.784 2.954 1.00 31.42 C ATOM 905 CE LYS A 58 20.048 -19.767 2.524 1.00 62.03 C ATOM 906 NZ LYS A 58 20.617 -20.509 3.683 1.00 73.44 N ATOM 0 H LYS A 58 16.788 -17.409 1.351 1.00 14.14 H new ATOM 0 HA LYS A 58 14.989 -17.716 3.571 1.00 52.23 H new ATOM 0 HB2 LYS A 58 15.744 -19.842 3.507 1.00 45.33 H new ATOM 0 HB3 LYS A 58 16.532 -19.384 2.010 1.00 45.33 H new ATOM 0 HG2 LYS A 58 17.848 -19.173 4.742 1.00 52.41 H new ATOM 0 HG3 LYS A 58 18.013 -20.561 3.684 1.00 52.41 H new ATOM 0 HD2 LYS A 58 18.568 -18.276 2.077 1.00 31.42 H new ATOM 0 HD3 LYS A 58 19.408 -18.018 3.593 1.00 31.42 H new ATOM 0 HE2 LYS A 58 19.629 -20.476 1.810 1.00 62.03 H new ATOM 0 HE3 LYS A 58 20.845 -19.230 2.010 1.00 62.03 H new ATOM 0 HZ1 LYS A 58 21.579 -20.828 3.452 1.00 73.44 H new ATOM 0 HZ2 LYS A 58 20.650 -19.884 4.513 1.00 73.44 H new ATOM 0 HZ3 LYS A 58 20.020 -21.334 3.894 1.00 73.44 H new ATOM 920 N GLU A 59 17.808 -16.240 4.029 1.00 2.21 N ATOM 921 CA GLU A 59 18.654 -15.561 5.004 1.00 53.42 C ATOM 922 C GLU A 59 17.878 -14.462 5.725 1.00 40.11 C ATOM 923 O GLU A 59 17.720 -14.497 6.945 1.00 10.33 O ATOM 924 CB GLU A 59 19.884 -14.965 4.317 1.00 3.40 C ATOM 925 CG GLU A 59 21.121 -15.842 4.415 1.00 73.43 C ATOM 926 CD GLU A 59 22.086 -15.620 3.267 1.00 5.41 C ATOM 927 OE1 GLU A 59 22.225 -14.459 2.826 1.00 60.51 O ATOM 928 OE2 GLU A 59 22.703 -16.605 2.810 1.00 1.52 O ATOM 0 H GLU A 59 18.015 -16.010 3.057 1.00 2.21 H new ATOM 0 HA GLU A 59 18.979 -16.296 5.740 1.00 53.42 H new ATOM 0 HB2 GLU A 59 19.654 -14.792 3.266 1.00 3.40 H new ATOM 0 HB3 GLU A 59 20.102 -13.993 4.760 1.00 3.40 H new ATOM 0 HG2 GLU A 59 21.631 -15.641 5.357 1.00 73.43 H new ATOM 0 HG3 GLU A 59 20.819 -16.889 4.433 1.00 73.43 H new ATOM 935 N VAL A 60 17.396 -13.487 4.961 1.00 45.52 N ATOM 936 CA VAL A 60 16.637 -12.377 5.525 1.00 30.44 C ATOM 937 C VAL A 60 15.482 -12.882 6.383 1.00 72.45 C ATOM 938 O VAL A 60 15.083 -12.234 7.351 1.00 23.22 O ATOM 939 CB VAL A 60 16.080 -11.459 4.421 1.00 34.43 C ATOM 940 CG1 VAL A 60 17.202 -10.958 3.526 1.00 64.30 C ATOM 941 CG2 VAL A 60 15.022 -12.188 3.607 1.00 72.34 C ATOM 0 H VAL A 60 17.518 -13.443 3.949 1.00 45.52 H new ATOM 0 HA VAL A 60 17.326 -11.806 6.147 1.00 30.44 H new ATOM 0 HB VAL A 60 15.612 -10.595 4.893 1.00 34.43 H new ATOM 0 HG11 VAL A 60 16.789 -10.311 2.752 1.00 64.30 H new ATOM 0 HG12 VAL A 60 17.920 -10.396 4.123 1.00 64.30 H new ATOM 0 HG13 VAL A 60 17.702 -11.807 3.060 1.00 64.30 H new ATOM 0 HG21 VAL A 60 14.639 -11.525 2.831 1.00 72.34 H new ATOM 0 HG22 VAL A 60 15.463 -13.071 3.144 1.00 72.34 H new ATOM 0 HG23 VAL A 60 14.205 -12.491 4.261 1.00 72.34 H new ATOM 951 N LEU A 61 14.947 -14.043 6.021 1.00 65.54 N ATOM 952 CA LEU A 61 13.837 -14.637 6.757 1.00 30.41 C ATOM 953 C LEU A 61 14.298 -15.150 8.118 1.00 50.42 C ATOM 954 O LEU A 61 13.654 -14.899 9.136 1.00 4.31 O ATOM 955 CB LEU A 61 13.219 -15.781 5.951 1.00 32.34 C ATOM 956 CG LEU A 61 12.507 -15.383 4.658 1.00 61.31 C ATOM 957 CD1 LEU A 61 12.293 -16.600 3.771 1.00 55.33 C ATOM 958 CD2 LEU A 61 11.180 -14.705 4.966 1.00 3.02 C ATOM 0 H LEU A 61 15.264 -14.592 5.222 1.00 65.54 H new ATOM 0 HA LEU A 61 13.085 -13.865 6.916 1.00 30.41 H new ATOM 0 HB2 LEU A 61 14.007 -16.492 5.704 1.00 32.34 H new ATOM 0 HB3 LEU A 61 12.506 -16.304 6.588 1.00 32.34 H new ATOM 0 HG LEU A 61 13.138 -14.674 4.122 1.00 61.31 H new ATOM 0 HD11 LEU A 61 11.785 -16.298 2.855 1.00 55.33 H new ATOM 0 HD12 LEU A 61 13.257 -17.043 3.522 1.00 55.33 H new ATOM 0 HD13 LEU A 61 11.683 -17.333 4.299 1.00 55.33 H new ATOM 0 HD21 LEU A 61 10.688 -14.429 4.034 1.00 3.02 H new ATOM 0 HD22 LEU A 61 10.542 -15.390 5.524 1.00 3.02 H new ATOM 0 HD23 LEU A 61 11.358 -13.809 5.561 1.00 3.02 H new ATOM 970 N GLU A 62 15.417 -15.867 8.126 1.00 4.34 N ATOM 971 CA GLU A 62 15.965 -16.413 9.363 1.00 53.52 C ATOM 972 C GLU A 62 16.521 -15.302 10.249 1.00 43.54 C ATOM 973 O GLU A 62 16.481 -15.393 11.476 1.00 65.05 O ATOM 974 CB GLU A 62 17.063 -17.432 9.054 1.00 30.21 C ATOM 975 CG GLU A 62 16.534 -18.826 8.760 1.00 43.00 C ATOM 976 CD GLU A 62 17.624 -19.880 8.781 1.00 4.10 C ATOM 977 OE1 GLU A 62 18.016 -20.305 9.888 1.00 21.11 O ATOM 978 OE2 GLU A 62 18.086 -20.279 7.692 1.00 74.04 O ATOM 0 H GLU A 62 15.962 -16.083 7.291 1.00 4.34 H new ATOM 0 HA GLU A 62 15.157 -16.911 9.899 1.00 53.52 H new ATOM 0 HB2 GLU A 62 17.640 -17.083 8.198 1.00 30.21 H new ATOM 0 HB3 GLU A 62 17.748 -17.483 9.900 1.00 30.21 H new ATOM 0 HG2 GLU A 62 15.771 -19.083 9.494 1.00 43.00 H new ATOM 0 HG3 GLU A 62 16.050 -18.828 7.783 1.00 43.00 H new ATOM 985 N TRP A 63 17.040 -14.254 9.618 1.00 72.33 N ATOM 986 CA TRP A 63 17.605 -13.125 10.348 1.00 64.51 C ATOM 987 C TRP A 63 16.504 -12.247 10.930 1.00 12.22 C ATOM 988 O TRP A 63 16.643 -11.708 12.028 1.00 55.55 O ATOM 989 CB TRP A 63 18.504 -12.296 9.429 1.00 22.12 C ATOM 990 CG TRP A 63 19.732 -11.775 10.112 1.00 24.12 C ATOM 991 CD1 TRP A 63 19.779 -10.997 11.234 1.00 71.32 C ATOM 992 CD2 TRP A 63 21.091 -11.993 9.716 1.00 31.12 C ATOM 993 NE1 TRP A 63 21.085 -10.719 11.559 1.00 55.42 N ATOM 994 CE2 TRP A 63 21.909 -11.319 10.644 1.00 54.31 C ATOM 995 CE3 TRP A 63 21.696 -12.694 8.670 1.00 62.03 C ATOM 996 CZ2 TRP A 63 23.298 -11.325 10.554 1.00 70.04 C ATOM 997 CZ3 TRP A 63 23.075 -12.699 8.581 1.00 22.13 C ATOM 998 CH2 TRP A 63 23.864 -12.019 9.519 1.00 71.11 C ATOM 0 H TRP A 63 17.081 -14.163 8.603 1.00 72.33 H new ATOM 0 HA TRP A 63 18.202 -13.518 11.171 1.00 64.51 H new ATOM 0 HB2 TRP A 63 18.802 -12.907 8.577 1.00 22.12 H new ATOM 0 HB3 TRP A 63 17.932 -11.456 9.034 1.00 22.12 H new ATOM 0 HD1 TRP A 63 18.917 -10.651 11.785 1.00 71.32 H new ATOM 0 HE1 TRP A 63 21.391 -10.157 12.353 1.00 55.42 H new ATOM 0 HE3 TRP A 63 21.097 -13.223 7.944 1.00 62.03 H new ATOM 0 HZ2 TRP A 63 23.907 -10.801 11.275 1.00 70.04 H new ATOM 0 HZ3 TRP A 63 23.553 -13.236 7.775 1.00 22.13 H new ATOM 0 HH2 TRP A 63 24.939 -12.043 9.423 1.00 71.11 H new ATOM 1009 N ALA A 64 15.410 -12.107 10.189 1.00 72.45 N ATOM 1010 CA ALA A 64 14.284 -11.296 10.633 1.00 13.22 C ATOM 1011 C ALA A 64 13.757 -11.779 11.980 1.00 2.34 C ATOM 1012 O ALA A 64 13.291 -10.983 12.795 1.00 33.43 O ATOM 1013 CB ALA A 64 13.174 -11.317 9.592 1.00 22.13 C ATOM 0 H ALA A 64 15.280 -12.545 9.277 1.00 72.45 H new ATOM 0 HA ALA A 64 14.633 -10.271 10.755 1.00 13.22 H new ATOM 0 HB1 ALA A 64 12.340 -10.707 9.938 1.00 22.13 H new ATOM 0 HB2 ALA A 64 13.551 -10.917 8.651 1.00 22.13 H new ATOM 0 HB3 ALA A 64 12.836 -12.342 9.441 1.00 22.13 H new ATOM 1019 N GLU A 65 13.835 -13.086 12.207 1.00 72.32 N ATOM 1020 CA GLU A 65 13.364 -13.674 13.456 1.00 51.05 C ATOM 1021 C GLU A 65 14.337 -13.384 14.594 1.00 24.14 C ATOM 1022 O GLU A 65 13.961 -13.399 15.767 1.00 60.31 O ATOM 1023 CB GLU A 65 13.182 -15.185 13.297 1.00 24.04 C ATOM 1024 CG GLU A 65 11.985 -15.568 12.444 1.00 62.22 C ATOM 1025 CD GLU A 65 11.317 -16.845 12.916 1.00 53.21 C ATOM 1026 OE1 GLU A 65 12.039 -17.774 13.334 1.00 12.55 O ATOM 1027 OE2 GLU A 65 10.071 -16.914 12.867 1.00 73.42 O ATOM 0 H GLU A 65 14.220 -13.758 11.543 1.00 72.32 H new ATOM 0 HA GLU A 65 12.402 -13.224 13.701 1.00 51.05 H new ATOM 0 HB2 GLU A 65 14.084 -15.606 12.852 1.00 24.04 H new ATOM 0 HB3 GLU A 65 13.073 -15.635 14.284 1.00 24.04 H new ATOM 0 HG2 GLU A 65 11.258 -14.756 12.458 1.00 62.22 H new ATOM 0 HG3 GLU A 65 12.305 -15.691 11.409 1.00 62.22 H new ATOM 1034 N HIS A 66 15.591 -13.121 14.241 1.00 44.44 N ATOM 1035 CA HIS A 66 16.620 -12.827 15.232 1.00 31.03 C ATOM 1036 C HIS A 66 16.297 -11.540 15.986 1.00 74.32 C ATOM 1037 O HIS A 66 16.273 -11.519 17.217 1.00 2.21 O ATOM 1038 CB HIS A 66 17.988 -12.708 14.559 1.00 13.15 C ATOM 1039 CG HIS A 66 19.035 -13.587 15.171 1.00 13.22 C ATOM 1040 ND1 HIS A 66 19.658 -13.295 16.366 1.00 2.10 N ATOM 1041 CD2 HIS A 66 19.566 -14.757 14.747 1.00 22.34 C ATOM 1042 CE1 HIS A 66 20.529 -14.247 16.650 1.00 40.13 C ATOM 1043 NE2 HIS A 66 20.492 -15.147 15.683 1.00 4.35 N ATOM 0 H HIS A 66 15.919 -13.105 13.275 1.00 44.44 H new ATOM 0 HA HIS A 66 16.646 -13.649 15.947 1.00 31.03 H new ATOM 0 HB2 HIS A 66 17.887 -12.958 13.503 1.00 13.15 H new ATOM 0 HB3 HIS A 66 18.320 -11.671 14.611 1.00 13.15 H new ATOM 0 HD2 HIS A 66 19.309 -15.286 13.841 1.00 22.34 H new ATOM 0 HE1 HIS A 66 21.163 -14.283 17.523 1.00 40.13 H new ATOM 0 HE2 HIS A 66 21.059 -15.994 15.639 1.00 4.35 H new ATOM 1051 N LEU A 67 16.049 -10.470 15.239 1.00 12.23 N ATOM 1052 CA LEU A 67 15.727 -9.178 15.837 1.00 65.34 C ATOM 1053 C LEU A 67 14.344 -9.204 16.478 1.00 30.25 C ATOM 1054 O LEU A 67 14.123 -8.597 17.526 1.00 64.21 O ATOM 1055 CB LEU A 67 15.791 -8.075 14.779 1.00 72.12 C ATOM 1056 CG LEU A 67 14.666 -8.073 13.743 1.00 11.21 C ATOM 1057 CD1 LEU A 67 13.537 -7.153 14.183 1.00 45.13 C ATOM 1058 CD2 LEU A 67 15.197 -7.655 12.380 1.00 40.42 C ATOM 0 H LEU A 67 16.065 -10.471 14.219 1.00 12.23 H new ATOM 0 HA LEU A 67 16.463 -8.971 16.614 1.00 65.34 H new ATOM 0 HB2 LEU A 67 15.791 -7.111 15.288 1.00 72.12 H new ATOM 0 HB3 LEU A 67 16.742 -8.158 14.253 1.00 72.12 H new ATOM 0 HG LEU A 67 14.271 -9.086 13.661 1.00 11.21 H new ATOM 0 HD11 LEU A 67 12.746 -7.164 13.434 1.00 45.13 H new ATOM 0 HD12 LEU A 67 13.138 -7.497 15.137 1.00 45.13 H new ATOM 0 HD13 LEU A 67 13.917 -6.138 14.294 1.00 45.13 H new ATOM 0 HD21 LEU A 67 14.383 -7.659 11.655 1.00 40.42 H new ATOM 0 HD22 LEU A 67 15.619 -6.652 12.446 1.00 40.42 H new ATOM 0 HD23 LEU A 67 15.970 -8.354 12.061 1.00 40.42 H new ATOM 1070 N ALA A 68 13.416 -9.913 15.844 1.00 61.12 N ATOM 1071 CA ALA A 68 12.055 -10.022 16.355 1.00 45.00 C ATOM 1072 C ALA A 68 12.032 -10.721 17.710 1.00 4.11 C ATOM 1073 O ALA A 68 11.133 -10.496 18.519 1.00 50.30 O ATOM 1074 CB ALA A 68 11.176 -10.765 15.361 1.00 70.35 C ATOM 0 H ALA A 68 13.582 -10.421 14.975 1.00 61.12 H new ATOM 0 HA ALA A 68 11.662 -9.014 16.488 1.00 45.00 H new ATOM 0 HB1 ALA A 68 10.163 -10.839 15.756 1.00 70.35 H new ATOM 0 HB2 ALA A 68 11.158 -10.224 14.415 1.00 70.35 H new ATOM 0 HB3 ALA A 68 11.576 -11.766 15.199 1.00 70.35 H new ATOM 1080 N GLU A 69 13.027 -11.570 17.950 1.00 51.01 N ATOM 1081 CA GLU A 69 13.118 -12.303 19.207 1.00 3.34 C ATOM 1082 C GLU A 69 13.723 -11.429 20.303 1.00 34.42 C ATOM 1083 O GLU A 69 13.515 -11.675 21.492 1.00 43.44 O ATOM 1084 CB GLU A 69 13.960 -13.568 19.026 1.00 13.31 C ATOM 1085 CG GLU A 69 13.221 -14.695 18.325 1.00 74.01 C ATOM 1086 CD GLU A 69 12.908 -15.853 19.252 1.00 25.52 C ATOM 1087 OE1 GLU A 69 13.825 -16.302 19.972 1.00 0.41 O ATOM 1088 OE2 GLU A 69 11.747 -16.312 19.258 1.00 54.33 O ATOM 0 H GLU A 69 13.780 -11.767 17.291 1.00 51.01 H new ATOM 0 HA GLU A 69 12.109 -12.587 19.507 1.00 3.34 H new ATOM 0 HB2 GLU A 69 14.854 -13.320 18.454 1.00 13.31 H new ATOM 0 HB3 GLU A 69 14.293 -13.916 20.004 1.00 13.31 H new ATOM 0 HG2 GLU A 69 12.292 -14.309 17.905 1.00 74.01 H new ATOM 0 HG3 GLU A 69 13.823 -15.055 17.490 1.00 74.01 H new ATOM 1095 N TRP A 70 14.470 -10.411 19.894 1.00 4.04 N ATOM 1096 CA TRP A 70 15.106 -9.501 20.841 1.00 72.20 C ATOM 1097 C TRP A 70 14.113 -9.038 21.901 1.00 32.44 C ATOM 1098 O TRP A 70 14.385 -9.125 23.099 1.00 20.12 O ATOM 1099 CB TRP A 70 15.687 -8.292 20.106 1.00 13.12 C ATOM 1100 CG TRP A 70 16.732 -7.563 20.895 1.00 21.43 C ATOM 1101 CD1 TRP A 70 16.522 -6.685 21.920 1.00 72.13 C ATOM 1102 CD2 TRP A 70 18.151 -7.649 20.723 1.00 72.15 C ATOM 1103 NE1 TRP A 70 17.724 -6.220 22.394 1.00 4.42 N ATOM 1104 CE2 TRP A 70 18.739 -6.796 21.677 1.00 30.52 C ATOM 1105 CE3 TRP A 70 18.981 -8.365 19.856 1.00 5.41 C ATOM 1106 CZ2 TRP A 70 20.118 -6.641 21.786 1.00 2.04 C ATOM 1107 CZ3 TRP A 70 20.350 -8.209 19.965 1.00 2.15 C ATOM 1108 CH2 TRP A 70 20.908 -7.353 20.925 1.00 33.51 C ATOM 0 H TRP A 70 14.651 -10.194 18.914 1.00 4.04 H new ATOM 0 HA TRP A 70 15.914 -10.039 21.337 1.00 72.20 H new ATOM 0 HB2 TRP A 70 16.120 -8.623 19.162 1.00 13.12 H new ATOM 0 HB3 TRP A 70 14.879 -7.602 19.861 1.00 13.12 H new ATOM 0 HD1 TRP A 70 15.553 -6.399 22.302 1.00 72.13 H new ATOM 0 HE1 TRP A 70 17.842 -5.553 23.157 1.00 4.42 H new ATOM 0 HE3 TRP A 70 18.560 -9.028 19.114 1.00 5.41 H new ATOM 0 HZ2 TRP A 70 20.549 -5.982 22.525 1.00 2.04 H new ATOM 0 HZ3 TRP A 70 21.001 -8.756 19.299 1.00 2.15 H new ATOM 0 HH2 TRP A 70 21.982 -7.254 20.986 1.00 33.51 H new ATOM 1119 N ILE A 71 12.962 -8.548 21.454 1.00 10.52 N ATOM 1120 CA ILE A 71 11.929 -8.073 22.366 1.00 13.31 C ATOM 1121 C ILE A 71 11.646 -9.098 23.459 1.00 65.11 C ATOM 1122 O ILE A 71 11.350 -8.740 24.600 1.00 70.44 O ATOM 1123 CB ILE A 71 10.618 -7.761 21.619 1.00 24.31 C ATOM 1124 CG1 ILE A 71 10.258 -8.910 20.675 1.00 24.52 C ATOM 1125 CG2 ILE A 71 10.745 -6.456 20.848 1.00 5.34 C ATOM 1126 CD1 ILE A 71 8.896 -9.509 20.945 1.00 72.44 C ATOM 0 H ILE A 71 12.721 -8.469 20.466 1.00 10.52 H new ATOM 0 HA ILE A 71 12.307 -7.157 22.820 1.00 13.31 H new ATOM 0 HB ILE A 71 9.818 -7.652 22.351 1.00 24.31 H new ATOM 0 HG12 ILE A 71 10.290 -8.549 19.647 1.00 24.52 H new ATOM 0 HG13 ILE A 71 11.013 -9.691 20.762 1.00 24.52 H new ATOM 0 HG21 ILE A 71 9.811 -6.250 20.326 1.00 5.34 H new ATOM 0 HG22 ILE A 71 10.960 -5.643 21.542 1.00 5.34 H new ATOM 0 HG23 ILE A 71 11.555 -6.539 20.123 1.00 5.34 H new ATOM 0 HD11 ILE A 71 8.708 -10.317 20.239 1.00 72.44 H new ATOM 0 HD12 ILE A 71 8.866 -9.901 21.962 1.00 72.44 H new ATOM 0 HD13 ILE A 71 8.131 -8.741 20.830 1.00 72.44 H new ATOM 1138 N LEU A 72 11.742 -10.374 23.104 1.00 61.54 N ATOM 1139 CA LEU A 72 11.499 -11.454 24.055 1.00 40.34 C ATOM 1140 C LEU A 72 12.628 -11.544 25.076 1.00 11.44 C ATOM 1141 O LEU A 72 12.385 -11.581 26.282 1.00 75.11 O ATOM 1142 CB LEU A 72 11.355 -12.787 23.318 1.00 43.52 C ATOM 1143 CG LEU A 72 10.423 -12.786 22.106 1.00 61.32 C ATOM 1144 CD1 LEU A 72 10.638 -14.036 21.267 1.00 63.24 C ATOM 1145 CD2 LEU A 72 8.971 -12.683 22.550 1.00 62.23 C ATOM 0 H LEU A 72 11.986 -10.687 22.164 1.00 61.54 H new ATOM 0 HA LEU A 72 10.571 -11.237 24.584 1.00 40.34 H new ATOM 0 HB2 LEU A 72 12.344 -13.107 22.990 1.00 43.52 H new ATOM 0 HB3 LEU A 72 10.997 -13.534 24.026 1.00 43.52 H new ATOM 0 HG LEU A 72 10.657 -11.916 21.492 1.00 61.32 H new ATOM 0 HD11 LEU A 72 9.966 -14.018 20.409 1.00 63.24 H new ATOM 0 HD12 LEU A 72 11.670 -14.068 20.919 1.00 63.24 H new ATOM 0 HD13 LEU A 72 10.432 -14.920 21.871 1.00 63.24 H new ATOM 0 HD21 LEU A 72 8.322 -12.684 21.674 1.00 62.23 H new ATOM 0 HD22 LEU A 72 8.724 -13.533 23.186 1.00 62.23 H new ATOM 0 HD23 LEU A 72 8.826 -11.758 23.108 1.00 62.23 H new ATOM 1157 N GLU A 73 13.863 -11.576 24.585 1.00 12.31 N ATOM 1158 CA GLU A 73 15.029 -11.660 25.457 1.00 51.44 C ATOM 1159 C GLU A 73 15.044 -10.508 26.457 1.00 4.51 C ATOM 1160 O GLU A 73 15.545 -10.647 27.573 1.00 4.45 O ATOM 1161 CB GLU A 73 16.315 -11.647 24.628 1.00 51.15 C ATOM 1162 CG GLU A 73 17.452 -12.435 25.256 1.00 1.40 C ATOM 1163 CD GLU A 73 18.704 -12.435 24.401 1.00 42.24 C ATOM 1164 OE1 GLU A 73 19.316 -11.358 24.243 1.00 53.32 O ATOM 1165 OE2 GLU A 73 19.072 -13.513 23.889 1.00 23.12 O ATOM 0 H GLU A 73 14.082 -11.545 23.589 1.00 12.31 H new ATOM 0 HA GLU A 73 14.971 -12.598 26.010 1.00 51.44 H new ATOM 0 HB2 GLU A 73 16.104 -12.055 23.639 1.00 51.15 H new ATOM 0 HB3 GLU A 73 16.635 -10.615 24.485 1.00 51.15 H new ATOM 0 HG2 GLU A 73 17.684 -12.013 26.234 1.00 1.40 H new ATOM 0 HG3 GLU A 73 17.129 -13.463 25.421 1.00 1.40 H new ATOM 1172 N HIS A 74 14.493 -9.369 26.049 1.00 74.33 N ATOM 1173 CA HIS A 74 14.443 -8.192 26.909 1.00 75.15 C ATOM 1174 C HIS A 74 13.016 -7.662 27.021 1.00 4.21 C ATOM 1175 O HIS A 74 12.204 -8.194 27.778 1.00 21.23 O ATOM 1176 CB HIS A 74 15.364 -7.099 26.367 1.00 62.23 C ATOM 1177 CG HIS A 74 16.747 -7.143 26.940 1.00 0.15 C ATOM 1178 ND1 HIS A 74 17.035 -6.781 28.240 1.00 53.35 N ATOM 1179 CD2 HIS A 74 17.925 -7.511 26.384 1.00 11.05 C ATOM 1180 CE1 HIS A 74 18.330 -6.922 28.457 1.00 31.42 C ATOM 1181 NE2 HIS A 74 18.893 -7.365 27.347 1.00 0.33 N ATOM 0 H HIS A 74 14.075 -9.236 25.128 1.00 74.33 H new ATOM 0 HA HIS A 74 14.783 -8.483 27.903 1.00 75.15 H new ATOM 0 HB2 HIS A 74 15.426 -7.192 25.283 1.00 62.23 H new ATOM 0 HB3 HIS A 74 14.923 -6.125 26.579 1.00 62.23 H new ATOM 0 HD2 HIS A 74 18.076 -7.855 25.371 1.00 11.05 H new ATOM 0 HE1 HIS A 74 18.842 -6.711 29.384 1.00 31.42 H new ATOM 0 HE2 HIS A 74 19.886 -7.566 27.225 1.00 0.33 H new