USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 421 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 43 THR OG1 : rot 119:sc= 0.887 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -1.22 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -154:sc= -0.567 (180deg=0) USER MOD Set 2.2: A 12 MET CE :methyl -174:sc= -0.741 (180deg=-0.504) USER MOD Single : A 3 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.49) USER MOD Single : A 6 THR OG1 : rot 163:sc= 0.677 USER MOD Single : A 10 TYR OH : rot 165:sc= -1.07 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.134) USER MOD Single : A 19 THR OG1 : rot 89:sc= -0.394 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= -0.446 (180deg=-0.451) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.243 USER MOD Single : A 31 ASN : amide:sc= -0.096 K(o=-0.096,f=-2.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.61) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.222 F(o=-1.6,f=-0.22) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N GLN A 3 0.668 10.166 0.948 1.00 0.00 N ATOM 36 CA GLN A 3 -0.019 9.122 1.697 1.00 0.00 C ATOM 37 C GLN A 3 0.389 7.739 1.200 1.00 0.00 C ATOM 38 O GLN A 3 -0.432 6.824 1.131 1.00 0.00 O ATOM 39 CB GLN A 3 -1.534 9.295 1.581 1.00 0.00 C ATOM 40 CG GLN A 3 -2.310 8.683 2.736 1.00 0.00 C ATOM 41 CD GLN A 3 -1.809 9.148 4.089 1.00 0.00 C ATOM 42 OE1 GLN A 3 -2.193 10.212 4.573 1.00 0.00 O ATOM 43 NE2 GLN A 3 -0.949 8.349 4.708 1.00 0.00 N ATOM 0 HA GLN A 3 0.269 9.210 2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.766 10.358 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.872 8.843 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.365 8.939 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.239 7.597 2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.658 7.475 4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.579 8.608 5.623 1.00 0.00 H new ATOM 52 N ARG A 4 1.663 7.600 0.858 1.00 0.00 N ATOM 53 CA ARG A 4 2.194 6.333 0.368 1.00 0.00 C ATOM 54 C ARG A 4 2.742 5.494 1.511 1.00 0.00 C ATOM 55 O ARG A 4 3.812 5.774 2.051 1.00 0.00 O ATOM 56 CB ARG A 4 3.287 6.577 -0.675 1.00 0.00 C ATOM 57 CG ARG A 4 4.308 7.622 -0.256 1.00 0.00 C ATOM 58 CD ARG A 4 5.536 7.590 -1.149 1.00 0.00 C ATOM 59 NE ARG A 4 6.484 8.652 -0.815 1.00 0.00 N ATOM 60 CZ ARG A 4 7.517 8.990 -1.580 1.00 0.00 C ATOM 61 NH1 ARG A 4 7.740 8.356 -2.725 1.00 0.00 N ATOM 62 NH2 ARG A 4 8.332 9.966 -1.201 1.00 0.00 N ATOM 0 H ARG A 4 2.351 8.351 0.911 1.00 0.00 H new ATOM 0 HA ARG A 4 1.376 5.785 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.803 5.638 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.822 6.890 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.854 8.612 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.604 7.448 0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.028 6.622 -1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.230 7.692 -2.190 1.00 0.00 H new ATOM 0 HE ARG A 4 6.344 9.164 0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.117 7.605 -3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.534 8.620 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.166 10.457 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.125 10.225 -1.788 1.00 0.00 H new ATOM 76 N ILE A 5 1.994 4.459 1.869 1.00 0.00 N ATOM 77 CA ILE A 5 2.389 3.564 2.945 1.00 0.00 C ATOM 78 C ILE A 5 2.811 2.214 2.388 1.00 0.00 C ATOM 79 O ILE A 5 2.865 2.020 1.174 1.00 0.00 O ATOM 80 CB ILE A 5 1.246 3.347 3.957 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.279 4.524 3.932 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.797 3.143 5.362 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.909 4.352 4.854 1.00 0.00 C ATOM 0 H ILE A 5 1.107 4.219 1.427 1.00 0.00 H new ATOM 0 HA ILE A 5 3.227 4.035 3.458 1.00 0.00 H new ATOM 0 HB ILE A 5 0.705 2.446 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.816 5.431 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.080 4.667 2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.972 2.992 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.447 2.268 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.367 4.023 5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.554 5.228 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.470 3.464 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.560 4.240 5.880 1.00 0.00 H new ATOM 95 N THR A 6 3.103 1.286 3.284 1.00 0.00 N ATOM 96 CA THR A 6 3.518 -0.057 2.893 1.00 0.00 C ATOM 97 C THR A 6 2.315 -0.985 2.767 1.00 0.00 C ATOM 98 O THR A 6 1.329 -0.841 3.489 1.00 0.00 O ATOM 99 CB THR A 6 4.512 -0.622 3.910 1.00 0.00 C ATOM 100 OG1 THR A 6 4.435 0.085 5.135 1.00 0.00 O ATOM 101 CG2 THR A 6 5.949 -0.565 3.438 1.00 0.00 C ATOM 0 H THR A 6 3.061 1.436 4.292 1.00 0.00 H new ATOM 0 HA THR A 6 4.004 0.009 1.919 1.00 0.00 H new ATOM 0 HB THR A 6 4.229 -1.667 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.857 -0.443 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.601 -0.981 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.054 -1.144 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.228 0.471 3.247 1.00 0.00 H new ATOM 109 N LEU A 7 2.406 -1.942 1.848 1.00 0.00 N ATOM 110 CA LEU A 7 1.327 -2.897 1.636 1.00 0.00 C ATOM 111 C LEU A 7 1.216 -3.852 2.820 1.00 0.00 C ATOM 112 O LEU A 7 0.119 -4.243 3.217 1.00 0.00 O ATOM 113 CB LEU A 7 1.560 -3.687 0.347 1.00 0.00 C ATOM 114 CG LEU A 7 0.533 -4.784 0.065 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.775 -4.178 -0.421 1.00 0.00 C ATOM 116 CD2 LEU A 7 1.076 -5.774 -0.955 1.00 0.00 C ATOM 0 H LEU A 7 3.214 -2.075 1.240 1.00 0.00 H new ATOM 0 HA LEU A 7 0.393 -2.343 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.565 -2.991 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.550 -4.140 0.391 1.00 0.00 H new ATOM 0 HG LEU A 7 0.338 -5.320 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.494 -4.974 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.172 -3.510 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.597 -3.616 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.332 -6.548 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.300 -5.252 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.986 -6.233 -0.568 1.00 0.00 H new ATOM 128 N LYS A 8 2.363 -4.220 3.380 1.00 0.00 N ATOM 129 CA LYS A 8 2.403 -5.127 4.520 1.00 0.00 C ATOM 130 C LYS A 8 1.735 -4.497 5.737 1.00 0.00 C ATOM 131 O LYS A 8 1.109 -5.186 6.541 1.00 0.00 O ATOM 132 CB LYS A 8 3.849 -5.498 4.852 1.00 0.00 C ATOM 133 CG LYS A 8 3.972 -6.566 5.926 1.00 0.00 C ATOM 134 CD LYS A 8 5.417 -6.759 6.358 1.00 0.00 C ATOM 135 CE LYS A 8 5.701 -8.207 6.721 1.00 0.00 C ATOM 136 NZ LYS A 8 4.918 -8.646 7.909 1.00 0.00 N ATOM 0 H LYS A 8 3.279 -3.903 3.062 1.00 0.00 H new ATOM 0 HA LYS A 8 1.856 -6.031 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.343 -5.848 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.379 -4.603 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.368 -6.287 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.575 -7.509 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.083 -6.447 5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.630 -6.119 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.462 -8.848 5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.765 -8.329 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.419 -9.422 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.807 -7.848 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.980 -8.976 7.604 1.00 0.00 H new ATOM 150 N ASP A 9 1.873 -3.182 5.866 1.00 0.00 N ATOM 151 CA ASP A 9 1.285 -2.457 6.985 1.00 0.00 C ATOM 152 C ASP A 9 -0.211 -2.251 6.775 1.00 0.00 C ATOM 153 O ASP A 9 -1.014 -2.502 7.672 1.00 0.00 O ATOM 154 CB ASP A 9 1.973 -1.101 7.162 1.00 0.00 C ATOM 155 CG ASP A 9 3.426 -1.241 7.572 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.219 -1.782 6.773 1.00 0.00 O ATOM 157 OD2 ASP A 9 3.771 -0.808 8.692 1.00 0.00 O ATOM 0 H ASP A 9 2.388 -2.596 5.208 1.00 0.00 H new ATOM 0 HA ASP A 9 1.431 -3.054 7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.914 -0.542 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.440 -0.521 7.915 1.00 0.00 H new ATOM 162 N TYR A 10 -0.578 -1.793 5.584 1.00 0.00 N ATOM 163 CA TYR A 10 -1.979 -1.554 5.257 1.00 0.00 C ATOM 164 C TYR A 10 -2.791 -2.844 5.322 1.00 0.00 C ATOM 165 O TYR A 10 -4.018 -2.811 5.402 1.00 0.00 O ATOM 166 CB TYR A 10 -2.098 -0.933 3.864 1.00 0.00 C ATOM 167 CG TYR A 10 -3.459 -0.338 3.581 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.546 -1.151 3.288 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.657 1.037 3.608 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.792 -0.610 3.031 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.899 1.585 3.353 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.963 0.758 3.064 1.00 0.00 C ATOM 173 OH TYR A 10 -7.202 1.300 2.808 1.00 0.00 O ATOM 0 H TYR A 10 0.074 -1.580 4.829 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.382 -0.861 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.341 -0.156 3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.881 -1.695 3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.416 -2.223 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.825 1.689 3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.628 -1.256 2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.036 2.656 3.380 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.217 2.235 3.101 1.00 0.00 H new ATOM 183 N ALA A 11 -2.108 -3.982 5.281 1.00 0.00 N ATOM 184 CA ALA A 11 -2.784 -5.271 5.331 1.00 0.00 C ATOM 185 C ALA A 11 -2.942 -5.767 6.766 1.00 0.00 C ATOM 186 O ALA A 11 -4.019 -6.208 7.163 1.00 0.00 O ATOM 187 CB ALA A 11 -2.030 -6.295 4.494 1.00 0.00 C ATOM 0 H ALA A 11 -1.092 -4.038 5.214 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.783 -5.140 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.546 -7.254 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.985 -5.957 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.018 -6.409 4.883 1.00 0.00 H new ATOM 193 N MET A 12 -1.858 -5.705 7.533 1.00 0.00 N ATOM 194 CA MET A 12 -1.875 -6.162 8.916 1.00 0.00 C ATOM 195 C MET A 12 -2.404 -5.088 9.861 1.00 0.00 C ATOM 196 O MET A 12 -2.908 -5.392 10.942 1.00 0.00 O ATOM 197 CB MET A 12 -0.470 -6.593 9.348 1.00 0.00 C ATOM 198 CG MET A 12 -0.349 -8.084 9.619 1.00 0.00 C ATOM 199 SD MET A 12 1.155 -8.505 10.519 1.00 0.00 S ATOM 200 CE MET A 12 2.391 -7.672 9.526 1.00 0.00 C ATOM 0 H MET A 12 -0.958 -5.343 7.219 1.00 0.00 H new ATOM 0 HA MET A 12 -2.550 -7.016 8.971 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.242 -6.314 8.571 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.191 -6.045 10.248 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.215 -8.417 10.191 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.365 -8.624 8.672 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.385 -7.926 9.894 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.296 -7.988 8.487 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.245 -6.594 9.592 1.00 0.00 H new ATOM 210 N ARG A 13 -2.282 -3.832 9.453 1.00 0.00 N ATOM 211 CA ARG A 13 -2.741 -2.715 10.271 1.00 0.00 C ATOM 212 C ARG A 13 -4.194 -2.364 9.966 1.00 0.00 C ATOM 213 O ARG A 13 -5.048 -2.393 10.851 1.00 0.00 O ATOM 214 CB ARG A 13 -1.852 -1.490 10.049 1.00 0.00 C ATOM 215 CG ARG A 13 -1.800 -0.549 11.243 1.00 0.00 C ATOM 216 CD ARG A 13 -3.074 0.274 11.362 1.00 0.00 C ATOM 217 NE ARG A 13 -2.791 1.688 11.600 1.00 0.00 N ATOM 218 CZ ARG A 13 -3.727 2.632 11.659 1.00 0.00 C ATOM 219 NH1 ARG A 13 -5.007 2.318 11.497 1.00 0.00 N ATOM 220 NH2 ARG A 13 -3.384 3.893 11.880 1.00 0.00 N ATOM 0 H ARG A 13 -1.869 -3.560 8.561 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.676 -3.021 11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.841 -1.823 9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.215 -0.941 9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.652 -1.126 12.156 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.943 0.118 11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.660 0.170 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.683 -0.116 12.177 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.819 1.968 11.728 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.277 1.349 11.326 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.720 3.046 11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.402 4.140 12.005 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.102 4.616 11.925 1.00 0.00 H new ATOM 234 N PHE A 14 -4.468 -2.026 8.710 1.00 0.00 N ATOM 235 CA PHE A 14 -5.810 -1.663 8.294 1.00 0.00 C ATOM 236 C PHE A 14 -6.671 -2.901 8.065 1.00 0.00 C ATOM 237 O PHE A 14 -7.850 -2.921 8.414 1.00 0.00 O ATOM 238 CB PHE A 14 -5.741 -0.829 7.019 1.00 0.00 C ATOM 239 CG PHE A 14 -5.395 0.608 7.264 1.00 0.00 C ATOM 240 CD1 PHE A 14 -4.299 0.943 8.034 1.00 0.00 C ATOM 241 CD2 PHE A 14 -6.165 1.625 6.728 1.00 0.00 C ATOM 242 CE1 PHE A 14 -3.976 2.256 8.263 1.00 0.00 C ATOM 243 CE2 PHE A 14 -5.845 2.941 6.954 1.00 0.00 C ATOM 244 CZ PHE A 14 -4.751 3.251 7.722 1.00 0.00 C ATOM 0 H PHE A 14 -3.773 -1.997 7.964 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.271 -1.077 9.089 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.999 -1.264 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.702 -0.881 6.507 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.688 0.161 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.027 1.381 6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.116 2.506 8.866 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.451 3.728 6.530 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.498 4.285 7.902 1.00 0.00 H new ATOM 254 N GLY A 15 -6.073 -3.929 7.474 1.00 0.00 N ATOM 255 CA GLY A 15 -6.799 -5.157 7.205 1.00 0.00 C ATOM 256 C GLY A 15 -6.514 -5.703 5.819 1.00 0.00 C ATOM 257 O GLY A 15 -5.991 -4.992 4.962 1.00 0.00 O ATOM 0 H GLY A 15 -5.098 -3.934 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.530 -5.906 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.869 -4.974 7.308 1.00 0.00 H new ATOM 261 N GLN A 16 -6.858 -6.968 5.600 1.00 0.00 N ATOM 262 CA GLN A 16 -6.631 -7.605 4.307 1.00 0.00 C ATOM 263 C GLN A 16 -7.835 -7.422 3.387 1.00 0.00 C ATOM 264 O GLN A 16 -7.690 -7.350 2.166 1.00 0.00 O ATOM 265 CB GLN A 16 -6.339 -9.096 4.494 1.00 0.00 C ATOM 266 CG GLN A 16 -4.855 -9.425 4.531 1.00 0.00 C ATOM 267 CD GLN A 16 -4.590 -10.917 4.603 1.00 0.00 C ATOM 268 OE1 GLN A 16 -4.044 -11.414 5.587 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.975 -11.638 3.557 1.00 0.00 N ATOM 0 H GLN A 16 -7.293 -7.571 6.298 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.768 -7.127 3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.801 -9.435 5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.806 -9.654 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.374 -9.017 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.400 -8.937 5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.424 -11.184 2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.821 -12.646 3.548 1.00 0.00 H new ATOM 278 N THR A 17 -9.022 -7.349 3.979 1.00 0.00 N ATOM 279 CA THR A 17 -10.250 -7.178 3.210 1.00 0.00 C ATOM 280 C THR A 17 -10.420 -5.728 2.767 1.00 0.00 C ATOM 281 O THR A 17 -10.760 -5.457 1.615 1.00 0.00 O ATOM 282 CB THR A 17 -11.450 -7.616 4.040 1.00 0.00 C ATOM 283 OG1 THR A 17 -11.340 -8.977 4.414 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.770 -7.451 3.314 1.00 0.00 C ATOM 0 H THR A 17 -9.160 -7.405 4.988 1.00 0.00 H new ATOM 0 HA THR A 17 -10.184 -7.801 2.318 1.00 0.00 H new ATOM 0 HB THR A 17 -11.444 -6.966 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.121 -9.234 4.947 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.584 -7.781 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.914 -6.402 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.762 -8.051 2.404 1.00 0.00 H new ATOM 292 N LYS A 18 -10.180 -4.800 3.689 1.00 0.00 N ATOM 293 CA LYS A 18 -10.310 -3.375 3.395 1.00 0.00 C ATOM 294 C LYS A 18 -9.467 -2.980 2.190 1.00 0.00 C ATOM 295 O LYS A 18 -9.927 -2.260 1.305 1.00 0.00 O ATOM 296 CB LYS A 18 -9.909 -2.546 4.614 1.00 0.00 C ATOM 297 CG LYS A 18 -10.670 -1.236 4.740 1.00 0.00 C ATOM 298 CD LYS A 18 -9.795 -0.045 4.381 1.00 0.00 C ATOM 299 CE LYS A 18 -10.310 1.237 5.013 1.00 0.00 C ATOM 300 NZ LYS A 18 -11.750 1.453 4.726 1.00 0.00 N ATOM 0 H LYS A 18 -9.895 -5.008 4.646 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.354 -3.175 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.072 -3.138 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.841 -2.332 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.543 -1.257 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.037 -1.124 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.773 -0.230 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.763 0.070 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.156 1.198 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.734 2.083 4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.008 2.432 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.933 1.280 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.320 0.798 5.298 1.00 0.00 H new ATOM 314 N THR A 19 -8.225 -3.453 2.163 1.00 0.00 N ATOM 315 CA THR A 19 -7.312 -3.145 1.067 1.00 0.00 C ATOM 316 C THR A 19 -7.856 -3.660 -0.261 1.00 0.00 C ATOM 317 O THR A 19 -7.963 -2.910 -1.231 1.00 0.00 O ATOM 318 CB THR A 19 -5.934 -3.755 1.337 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.749 -3.989 2.721 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.792 -2.884 0.862 1.00 0.00 C ATOM 0 H THR A 19 -7.827 -4.051 2.887 1.00 0.00 H new ATOM 0 HA THR A 19 -7.218 -2.061 1.002 1.00 0.00 H new ATOM 0 HB THR A 19 -5.917 -4.689 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.077 -4.884 2.948 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.844 -3.374 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.877 -2.727 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.831 -1.922 1.373 1.00 0.00 H new ATOM 328 N ALA A 20 -8.194 -4.944 -0.300 1.00 0.00 N ATOM 329 CA ALA A 20 -8.721 -5.561 -1.511 1.00 0.00 C ATOM 330 C ALA A 20 -9.975 -4.842 -2.003 1.00 0.00 C ATOM 331 O ALA A 20 -10.190 -4.709 -3.207 1.00 0.00 O ATOM 332 CB ALA A 20 -9.018 -7.034 -1.266 1.00 0.00 C ATOM 0 H ALA A 20 -8.112 -5.578 0.494 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.961 -5.476 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.411 -7.483 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.101 -7.547 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.755 -7.129 -0.469 1.00 0.00 H new ATOM 338 N LYS A 21 -10.790 -4.385 -1.065 1.00 0.00 N ATOM 339 CA LYS A 21 -12.030 -3.684 -1.408 1.00 0.00 C ATOM 340 C LYS A 21 -11.740 -2.241 -1.817 1.00 0.00 C ATOM 341 O LYS A 21 -12.470 -1.659 -2.619 1.00 0.00 O ATOM 342 CB LYS A 21 -13.000 -3.714 -0.225 1.00 0.00 C ATOM 343 CG LYS A 21 -14.340 -4.353 -0.555 1.00 0.00 C ATOM 344 CD LYS A 21 -15.010 -3.671 -1.740 1.00 0.00 C ATOM 345 CE LYS A 21 -15.490 -4.682 -2.769 1.00 0.00 C ATOM 346 NZ LYS A 21 -14.350 -5.306 -3.505 1.00 0.00 N ATOM 0 H LYS A 21 -10.622 -4.483 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.490 -4.195 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.539 -4.260 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.168 -2.695 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.195 -5.410 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.994 -4.297 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.855 -3.078 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.308 -2.980 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.071 -5.459 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.156 -4.191 -3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.718 -5.952 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.781 -4.563 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.756 -5.839 -2.838 1.00 0.00 H new ATOM 360 N ASP A 22 -10.680 -1.667 -1.260 1.00 0.00 N ATOM 361 CA ASP A 22 -10.310 -0.292 -1.566 1.00 0.00 C ATOM 362 C ASP A 22 -9.480 -0.219 -2.842 1.00 0.00 C ATOM 363 O ASP A 22 -9.564 0.752 -3.595 1.00 0.00 O ATOM 364 CB ASP A 22 -9.535 0.316 -0.398 1.00 0.00 C ATOM 365 CG ASP A 22 -10.400 1.202 0.475 1.00 0.00 C ATOM 366 OD1 ASP A 22 -10.560 2.393 0.137 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.920 0.703 1.496 1.00 0.00 O ATOM 0 H ASP A 22 -10.063 -2.133 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.225 0.279 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.112 -0.485 0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.699 0.898 -0.785 1.00 0.00 H new ATOM 372 N LEU A 23 -8.675 -1.248 -3.079 1.00 0.00 N ATOM 373 CA LEU A 23 -7.826 -1.296 -4.263 1.00 0.00 C ATOM 374 C LEU A 23 -8.621 -1.733 -5.492 1.00 0.00 C ATOM 375 O LEU A 23 -8.263 -1.404 -6.623 1.00 0.00 O ATOM 376 CB LEU A 23 -6.649 -2.250 -4.033 1.00 0.00 C ATOM 377 CG LEU A 23 -5.314 -1.566 -3.723 1.00 0.00 C ATOM 378 CD1 LEU A 23 -4.784 -2.015 -2.370 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.297 -1.851 -4.818 1.00 0.00 C ATOM 0 H LEU A 23 -8.592 -2.060 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.442 -0.292 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.898 -2.918 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.525 -2.871 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.482 -0.490 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.835 -1.518 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.503 -1.755 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.634 -3.095 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.356 -1.356 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.133 -2.926 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.672 -1.475 -5.770 1.00 0.00 H new ATOM 391 N GLY A 24 -9.697 -2.478 -5.262 1.00 0.00 N ATOM 392 CA GLY A 24 -10.520 -2.947 -6.361 1.00 0.00 C ATOM 393 C GLY A 24 -10.140 -4.348 -6.803 1.00 0.00 C ATOM 394 O GLY A 24 -10.370 -4.723 -7.954 1.00 0.00 O ATOM 0 H GLY A 24 -10.013 -2.765 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.567 -2.934 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.422 -2.263 -7.204 1.00 0.00 H new ATOM 398 N VAL A 25 -9.574 -5.122 -5.887 1.00 0.00 N ATOM 399 CA VAL A 25 -9.166 -6.487 -6.185 1.00 0.00 C ATOM 400 C VAL A 25 -9.608 -7.442 -5.081 1.00 0.00 C ATOM 401 O VAL A 25 -10.230 -7.030 -4.106 1.00 0.00 O ATOM 402 CB VAL A 25 -7.640 -6.594 -6.357 1.00 0.00 C ATOM 403 CG1 VAL A 25 -7.200 -5.941 -7.659 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.924 -5.965 -5.170 1.00 0.00 C ATOM 0 H VAL A 25 -9.387 -4.826 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.649 -6.765 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.372 -7.650 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.118 -6.027 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.685 -6.439 -8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.481 -4.888 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.846 -6.050 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.199 -4.913 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.214 -6.481 -4.255 1.00 0.00 H new ATOM 414 N GLN A 26 -9.279 -8.719 -5.242 1.00 0.00 N ATOM 415 CA GLN A 26 -9.643 -9.729 -4.257 1.00 0.00 C ATOM 416 C GLN A 26 -8.508 -9.949 -3.263 1.00 0.00 C ATOM 417 O GLN A 26 -7.418 -9.396 -3.416 1.00 0.00 O ATOM 418 CB GLN A 26 -9.995 -11.045 -4.950 1.00 0.00 C ATOM 419 CG GLN A 26 -10.890 -10.872 -6.163 1.00 0.00 C ATOM 420 CD GLN A 26 -11.380 -12.195 -6.723 1.00 0.00 C ATOM 421 OE1 GLN A 26 -10.600 -12.971 -7.279 1.00 0.00 O ATOM 422 NE2 GLN A 26 -12.670 -12.456 -6.577 1.00 0.00 N ATOM 0 H GLN A 26 -8.762 -9.078 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.516 -9.372 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.075 -11.542 -5.256 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.490 -11.702 -4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.748 -10.257 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.344 -10.334 -6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.277 -11.783 -6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.057 -13.331 -6.932 1.00 0.00 H new ATOM 431 N GLN A 27 -8.770 -10.759 -2.245 1.00 0.00 N ATOM 432 CA GLN A 27 -7.770 -11.054 -1.225 1.00 0.00 C ATOM 433 C GLN A 27 -6.663 -11.944 -1.782 1.00 0.00 C ATOM 434 O GLN A 27 -5.568 -12.011 -1.222 1.00 0.00 O ATOM 435 CB GLN A 27 -8.425 -11.730 -0.019 1.00 0.00 C ATOM 436 CG GLN A 27 -9.397 -10.830 0.728 1.00 0.00 C ATOM 437 CD GLN A 27 -10.430 -11.614 1.508 1.00 0.00 C ATOM 438 OE1 GLN A 27 -10.370 -11.689 2.735 1.00 0.00 O ATOM 439 NE2 GLN A 27 -11.380 -12.202 0.797 1.00 0.00 N ATOM 0 H GLN A 27 -9.667 -11.224 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.325 -10.111 -0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.954 -12.622 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.647 -12.061 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.841 -10.188 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.902 -10.177 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.387 -12.111 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.105 -12.746 1.265 1.00 0.00 H new ATOM 448 N SER A 28 -6.952 -12.625 -2.884 1.00 0.00 N ATOM 449 CA SER A 28 -5.981 -13.510 -3.516 1.00 0.00 C ATOM 450 C SER A 28 -4.752 -12.732 -3.976 1.00 0.00 C ATOM 451 O SER A 28 -3.618 -13.115 -3.685 1.00 0.00 O ATOM 452 CB SER A 28 -6.616 -14.233 -4.705 1.00 0.00 C ATOM 453 OG SER A 28 -7.628 -13.439 -5.303 1.00 0.00 O ATOM 0 H SER A 28 -7.853 -12.581 -3.360 1.00 0.00 H new ATOM 0 HA SER A 28 -5.666 -14.247 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.850 -14.468 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.041 -15.181 -4.374 1.00 0.00 H new ATOM 0 HG SER A 28 -8.017 -13.922 -6.062 1.00 0.00 H new ATOM 459 N ALA A 29 -4.984 -11.640 -4.697 1.00 0.00 N ATOM 460 CA ALA A 29 -3.896 -10.809 -5.198 1.00 0.00 C ATOM 461 C ALA A 29 -3.066 -10.240 -4.053 1.00 0.00 C ATOM 462 O ALA A 29 -1.836 -10.231 -4.110 1.00 0.00 O ATOM 463 CB ALA A 29 -4.445 -9.687 -6.064 1.00 0.00 C ATOM 0 H ALA A 29 -5.916 -11.310 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.244 -11.436 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.621 -9.075 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.986 -10.112 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.121 -9.069 -5.473 1.00 0.00 H new ATOM 469 N ILE A 30 -3.745 -9.766 -3.014 1.00 0.00 N ATOM 470 CA ILE A 30 -3.065 -9.195 -1.856 1.00 0.00 C ATOM 471 C ILE A 30 -2.132 -10.216 -1.218 1.00 0.00 C ATOM 472 O ILE A 30 -0.977 -9.915 -0.913 1.00 0.00 O ATOM 473 CB ILE A 30 -4.070 -8.701 -0.797 1.00 0.00 C ATOM 474 CG1 ILE A 30 -5.128 -7.800 -1.441 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.346 -7.961 0.318 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.544 -6.635 -2.210 1.00 0.00 C ATOM 0 H ILE A 30 -4.763 -9.766 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.485 -8.345 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.572 -9.567 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.742 -8.398 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.789 -7.417 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.070 -7.619 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.630 -8.631 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.819 -7.102 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.351 -6.041 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.954 -6.014 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.906 -7.010 -3.010 1.00 0.00 H new ATOM 488 N ASN A 31 -2.637 -11.428 -1.018 1.00 0.00 N ATOM 489 CA ASN A 31 -1.850 -12.496 -0.419 1.00 0.00 C ATOM 490 C ASN A 31 -0.669 -12.863 -1.310 1.00 0.00 C ATOM 491 O ASN A 31 0.405 -13.212 -0.820 1.00 0.00 O ATOM 492 CB ASN A 31 -2.724 -13.728 -0.177 1.00 0.00 C ATOM 493 CG ASN A 31 -2.220 -14.577 0.975 1.00 0.00 C ATOM 494 OD1 ASN A 31 -1.275 -14.202 1.669 1.00 0.00 O ATOM 495 ND2 ASN A 31 -2.849 -15.726 1.182 1.00 0.00 N ATOM 0 H ASN A 31 -3.591 -11.695 -1.263 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.465 -12.140 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.746 -13.410 0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.755 -14.332 -1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.554 -16.339 1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.628 -15.996 0.581 1.00 0.00 H new ATOM 502 N LYS A 32 -0.875 -12.782 -2.621 1.00 0.00 N ATOM 503 CA LYS A 32 0.170 -13.107 -3.580 1.00 0.00 C ATOM 504 C LYS A 32 1.229 -12.014 -3.634 1.00 0.00 C ATOM 505 O LYS A 32 2.389 -12.272 -3.956 1.00 0.00 O ATOM 506 CB LYS A 32 -0.428 -13.316 -4.973 1.00 0.00 C ATOM 507 CG LYS A 32 -1.553 -14.340 -5.004 1.00 0.00 C ATOM 508 CD LYS A 32 -1.094 -15.652 -5.621 1.00 0.00 C ATOM 509 CE LYS A 32 -1.663 -16.847 -4.873 1.00 0.00 C ATOM 510 NZ LYS A 32 -2.926 -17.340 -5.491 1.00 0.00 N ATOM 0 H LYS A 32 -1.758 -12.493 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 32 0.645 -14.031 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.805 -12.363 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.361 -13.634 -5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.912 -14.519 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.393 -13.943 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.405 -15.693 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.005 -15.699 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.927 -17.651 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.851 -16.570 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.281 -18.155 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.637 -16.581 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.742 -17.629 -6.473 1.00 0.00 H new ATOM 524 N TRP A 33 0.819 -10.792 -3.329 1.00 0.00 N ATOM 525 CA TRP A 33 1.715 -9.655 -3.347 1.00 0.00 C ATOM 526 C TRP A 33 2.756 -9.752 -2.237 1.00 0.00 C ATOM 527 O TRP A 33 3.945 -9.528 -2.465 1.00 0.00 O ATOM 528 CB TRP A 33 0.886 -8.391 -3.194 1.00 0.00 C ATOM 529 CG TRP A 33 0.125 -8.036 -4.421 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.284 -8.581 -5.645 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.924 -7.081 -4.533 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.589 -8.008 -6.538 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.347 -7.081 -5.873 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.541 -6.224 -3.630 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.363 -6.250 -6.334 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.553 -5.396 -4.081 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.955 -5.413 -5.425 1.00 0.00 C ATOM 0 H TRP A 33 -0.140 -10.565 -3.064 1.00 0.00 H new ATOM 0 HA TRP A 33 2.257 -9.636 -4.293 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.188 -8.520 -2.367 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.544 -7.563 -2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.995 -9.356 -5.888 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.661 -8.235 -7.530 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.236 -6.205 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.673 -6.264 -7.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -3.041 -4.726 -3.388 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.746 -4.754 -5.749 1.00 0.00 H new ATOM 548 N ILE A 34 2.302 -10.091 -1.034 1.00 0.00 N ATOM 549 CA ILE A 34 3.196 -10.221 0.111 1.00 0.00 C ATOM 550 C ILE A 34 3.932 -11.555 0.082 1.00 0.00 C ATOM 551 O ILE A 34 5.053 -11.669 0.576 1.00 0.00 O ATOM 552 CB ILE A 34 2.428 -10.101 1.441 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.512 -8.876 1.419 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.399 -10.022 2.609 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.652 -8.741 2.656 1.00 0.00 C ATOM 0 H ILE A 34 1.321 -10.280 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 34 3.918 -9.407 0.043 1.00 0.00 H new ATOM 0 HB ILE A 34 1.810 -10.990 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.121 -7.979 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.867 -8.931 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.841 -9.938 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.012 -10.923 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.041 -9.149 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.029 -7.851 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.016 -9.621 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.290 -8.654 3.535 1.00 0.00 H new ATOM 567 N HIS A 35 3.293 -12.563 -0.505 1.00 0.00 N ATOM 568 CA HIS A 35 3.882 -13.892 -0.604 1.00 0.00 C ATOM 569 C HIS A 35 5.145 -13.864 -1.451 1.00 0.00 C ATOM 570 O HIS A 35 6.230 -14.224 -0.993 1.00 0.00 O ATOM 571 CB HIS A 35 2.871 -14.870 -1.205 1.00 0.00 C ATOM 572 CG HIS A 35 2.187 -15.735 -0.191 1.00 0.00 C ATOM 573 ND1 HIS A 35 2.286 -15.528 1.169 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.388 -16.815 -0.348 1.00 0.00 C ATOM 575 CE1 HIS A 35 1.577 -16.447 1.805 1.00 0.00 C ATOM 576 NE2 HIS A 35 1.022 -17.238 0.905 1.00 0.00 N ATOM 0 H HIS A 35 2.365 -12.483 -0.920 1.00 0.00 H new ATOM 0 HA HIS A 35 4.149 -14.223 0.399 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.117 -14.306 -1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.382 -15.507 -1.927 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.093 -17.262 -1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.471 -16.535 2.876 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.419 -18.035 1.108 1.00 0.00 H new ATOM 585 N ALA A 36 4.988 -13.433 -2.689 1.00 0.00 N ATOM 586 CA ALA A 36 6.102 -13.350 -3.625 1.00 0.00 C ATOM 587 C ALA A 36 7.158 -12.355 -3.148 1.00 0.00 C ATOM 588 O ALA A 36 8.298 -12.379 -3.612 1.00 0.00 O ATOM 589 CB ALA A 36 5.599 -12.967 -5.008 1.00 0.00 C ATOM 0 H ALA A 36 4.093 -13.132 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 36 6.571 -14.333 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.441 -12.908 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.893 -13.720 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.102 -11.998 -4.959 1.00 0.00 H new ATOM 595 N GLY A 37 6.774 -11.483 -2.222 1.00 0.00 N ATOM 596 CA GLY A 37 7.702 -10.496 -1.702 1.00 0.00 C ATOM 597 C GLY A 37 7.839 -9.291 -2.612 1.00 0.00 C ATOM 598 O GLY A 37 8.928 -8.737 -2.759 1.00 0.00 O ATOM 0 H GLY A 37 5.837 -11.442 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.365 -10.168 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.680 -10.958 -1.566 1.00 0.00 H new ATOM 602 N ARG A 38 6.731 -8.885 -3.224 1.00 0.00 N ATOM 603 CA ARG A 38 6.732 -7.737 -4.124 1.00 0.00 C ATOM 604 C ARG A 38 6.485 -6.444 -3.355 1.00 0.00 C ATOM 605 O ARG A 38 5.384 -6.206 -2.859 1.00 0.00 O ATOM 606 CB ARG A 38 5.667 -7.911 -5.207 1.00 0.00 C ATOM 607 CG ARG A 38 6.016 -7.226 -6.520 1.00 0.00 C ATOM 608 CD ARG A 38 5.076 -6.066 -6.814 1.00 0.00 C ATOM 609 NE ARG A 38 5.006 -5.766 -8.241 1.00 0.00 N ATOM 610 CZ ARG A 38 4.278 -6.463 -9.112 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.557 -7.500 -8.703 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.270 -6.120 -10.393 1.00 0.00 N ATOM 0 H ARG A 38 5.822 -9.334 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 38 7.713 -7.677 -4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.518 -8.975 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.720 -7.515 -4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.043 -6.862 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.967 -7.950 -7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.079 -6.305 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.412 -5.181 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 38 5.547 -4.976 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.559 -7.766 -7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.001 -8.031 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.821 -5.323 -10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.713 -6.653 -11.060 1.00 0.00 H new ATOM 626 N LYS A 39 7.518 -5.612 -3.258 1.00 0.00 N ATOM 627 CA LYS A 39 7.410 -4.341 -2.549 1.00 0.00 C ATOM 628 C LYS A 39 6.383 -3.434 -3.218 1.00 0.00 C ATOM 629 O LYS A 39 6.451 -3.184 -4.422 1.00 0.00 O ATOM 630 CB LYS A 39 8.773 -3.645 -2.499 1.00 0.00 C ATOM 631 CG LYS A 39 9.376 -3.593 -1.103 1.00 0.00 C ATOM 632 CD LYS A 39 9.987 -2.231 -0.809 1.00 0.00 C ATOM 633 CE LYS A 39 9.715 -1.796 0.621 1.00 0.00 C ATOM 634 NZ LYS A 39 10.577 -0.652 1.029 1.00 0.00 N ATOM 0 H LYS A 39 8.437 -5.794 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 39 7.078 -4.545 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.462 -4.164 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.668 -2.629 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.605 -3.814 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.140 -4.364 -1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.063 -2.269 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.580 -1.492 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.667 -1.514 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.885 -2.636 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.360 -0.386 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.577 -0.928 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.397 0.159 0.403 1.00 0.00 H new ATOM 648 N ILE A 40 5.430 -2.946 -2.430 1.00 0.00 N ATOM 649 CA ILE A 40 4.387 -2.068 -2.949 1.00 0.00 C ATOM 650 C ILE A 40 3.963 -1.039 -1.909 1.00 0.00 C ATOM 651 O ILE A 40 4.157 -1.234 -0.709 1.00 0.00 O ATOM 652 CB ILE A 40 3.147 -2.872 -3.393 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.544 -3.941 -4.413 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.087 -1.945 -3.975 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.368 -4.725 -4.953 1.00 0.00 C ATOM 0 H ILE A 40 5.358 -3.143 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 40 4.809 -1.554 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 40 2.725 -3.367 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.065 -3.464 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.249 -4.631 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.221 -2.531 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.785 -1.219 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.496 -1.422 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.723 -5.465 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.860 -5.230 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.673 -4.045 -5.446 1.00 0.00 H new ATOM 667 N PHE A 41 3.376 0.056 -2.379 1.00 0.00 N ATOM 668 CA PHE A 41 2.913 1.118 -1.493 1.00 0.00 C ATOM 669 C PHE A 41 1.564 1.656 -1.958 1.00 0.00 C ATOM 670 O PHE A 41 1.395 2.005 -3.126 1.00 0.00 O ATOM 671 CB PHE A 41 3.933 2.259 -1.440 1.00 0.00 C ATOM 672 CG PHE A 41 5.190 1.911 -0.693 1.00 0.00 C ATOM 673 CD1 PHE A 41 6.088 0.989 -1.210 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.475 2.506 0.526 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.244 0.669 -0.526 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.631 2.187 1.216 1.00 0.00 C ATOM 677 CZ PHE A 41 7.516 1.267 0.688 1.00 0.00 C ATOM 0 H PHE A 41 3.209 0.232 -3.370 1.00 0.00 H new ATOM 0 HA PHE A 41 2.800 0.697 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.194 2.549 -2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.470 3.127 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.881 0.516 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.787 3.227 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.936 -0.049 -0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.841 2.656 2.166 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.419 1.016 1.224 1.00 0.00 H new ATOM 687 N LEU A 42 0.606 1.722 -1.040 1.00 0.00 N ATOM 688 CA LEU A 42 -0.722 2.216 -1.371 1.00 0.00 C ATOM 689 C LEU A 42 -0.846 3.702 -1.061 1.00 0.00 C ATOM 690 O LEU A 42 -0.141 4.230 -0.204 1.00 0.00 O ATOM 691 CB LEU A 42 -1.790 1.435 -0.604 1.00 0.00 C ATOM 692 CG LEU A 42 -1.446 1.082 0.845 1.00 0.00 C ATOM 693 CD1 LEU A 42 -0.511 -0.118 0.908 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.851 2.279 1.576 1.00 0.00 C ATOM 0 H LEU A 42 0.725 1.441 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.874 2.072 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.711 2.017 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.995 0.511 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.373 0.811 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.283 -0.347 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.992 -0.979 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.412 0.112 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.617 1.998 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.060 2.598 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.570 3.098 1.579 1.00 0.00 H new ATOM 706 N THR A 43 -1.754 4.369 -1.767 1.00 0.00 N ATOM 707 CA THR A 43 -1.977 5.795 -1.570 1.00 0.00 C ATOM 708 C THR A 43 -3.429 6.065 -1.193 1.00 0.00 C ATOM 709 O THR A 43 -4.331 5.916 -2.018 1.00 0.00 O ATOM 710 CB THR A 43 -1.614 6.570 -2.835 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.426 6.057 -3.413 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.405 8.050 -2.592 1.00 0.00 C ATOM 0 H THR A 43 -2.346 3.944 -2.480 1.00 0.00 H new ATOM 0 HA THR A 43 -1.337 6.130 -0.754 1.00 0.00 H new ATOM 0 HB THR A 43 -2.465 6.446 -3.504 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.619 5.720 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.150 8.540 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.320 8.486 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.594 8.190 -1.878 1.00 0.00 H new ATOM 720 N ILE A 44 -3.647 6.463 0.055 1.00 0.00 N ATOM 721 CA ILE A 44 -4.991 6.753 0.537 1.00 0.00 C ATOM 722 C ILE A 44 -5.409 8.172 0.171 1.00 0.00 C ATOM 723 O ILE A 44 -4.927 9.142 0.757 1.00 0.00 O ATOM 724 CB ILE A 44 -5.096 6.580 2.064 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.515 5.230 2.488 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.546 6.705 2.513 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.524 5.014 3.986 1.00 0.00 C ATOM 0 H ILE A 44 -2.912 6.592 0.750 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.658 6.040 0.053 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.518 7.369 2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.084 4.432 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.491 5.153 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.604 6.580 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.928 7.689 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.145 5.935 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.098 4.037 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.931 5.791 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.549 5.058 4.354 1.00 0.00 H new ATOM 739 N ASN A 45 -6.308 8.288 -0.800 1.00 0.00 N ATOM 740 CA ASN A 45 -6.789 9.591 -1.242 1.00 0.00 C ATOM 741 C ASN A 45 -7.852 10.129 -0.289 1.00 0.00 C ATOM 742 O ASN A 45 -8.254 9.450 0.657 1.00 0.00 O ATOM 743 CB ASN A 45 -7.358 9.496 -2.658 1.00 0.00 C ATOM 744 CG ASN A 45 -6.426 8.771 -3.609 1.00 0.00 C ATOM 745 OD1 ASN A 45 -6.993 7.931 -4.469 1.00 0.00 O flip ATOM 746 ND2 ASN A 45 -5.211 8.962 -3.572 1.00 0.00 N flip ATOM 0 H ASN A 45 -6.718 7.496 -1.295 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.945 10.280 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.316 8.978 -2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.551 10.500 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.818 9.616 -2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.597 8.466 -4.218 1.00 0.00 H new ATOM 753 N ALA A 46 -8.307 11.351 -0.546 1.00 0.00 N ATOM 754 CA ALA A 46 -9.328 11.978 0.286 1.00 0.00 C ATOM 755 C ALA A 46 -10.730 11.628 -0.194 1.00 0.00 C ATOM 756 O ALA A 46 -11.720 12.177 0.294 1.00 0.00 O ATOM 757 CB ALA A 46 -9.135 13.487 0.301 1.00 0.00 C ATOM 0 H ALA A 46 -7.985 11.927 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.219 11.593 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.902 13.946 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.150 13.724 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.214 13.874 -0.715 1.00 0.00 H new ATOM 763 N ASP A 47 -10.810 10.712 -1.156 1.00 0.00 N ATOM 764 CA ASP A 47 -12.100 10.289 -1.703 1.00 0.00 C ATOM 765 C ASP A 47 -12.440 8.872 -1.251 1.00 0.00 C ATOM 766 O ASP A 47 -13.590 8.442 -1.354 1.00 0.00 O ATOM 767 CB ASP A 47 -12.070 10.351 -3.235 1.00 0.00 C ATOM 768 CG ASP A 47 -10.670 10.340 -3.814 1.00 0.00 C ATOM 769 OD1 ASP A 47 -9.968 11.362 -3.679 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.280 9.310 -4.403 1.00 0.00 O ATOM 0 H ASP A 47 -10.002 10.249 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.868 10.967 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.627 9.504 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.583 11.254 -3.564 1.00 0.00 H new ATOM 775 N GLY A 48 -11.440 8.150 -0.760 1.00 0.00 N ATOM 776 CA GLY A 48 -11.660 6.789 -0.312 1.00 0.00 C ATOM 777 C GLY A 48 -11.110 5.770 -1.289 1.00 0.00 C ATOM 778 O GLY A 48 -11.470 4.594 -1.237 1.00 0.00 O ATOM 0 H GLY A 48 -10.481 8.483 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.190 6.648 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.728 6.621 -0.177 1.00 0.00 H new ATOM 782 N SER A 49 -10.230 6.222 -2.184 1.00 0.00 N ATOM 783 CA SER A 49 -9.637 5.342 -3.175 1.00 0.00 C ATOM 784 C SER A 49 -8.182 5.054 -2.830 1.00 0.00 C ATOM 785 O SER A 49 -7.360 5.965 -2.738 1.00 0.00 O ATOM 786 CB SER A 49 -9.734 5.962 -4.566 1.00 0.00 C ATOM 787 OG SER A 49 -10.520 5.157 -5.430 1.00 0.00 O ATOM 0 H SER A 49 -9.917 7.191 -2.238 1.00 0.00 H new ATOM 0 HA SER A 49 -10.189 4.402 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.171 6.958 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.735 6.082 -4.985 1.00 0.00 H new ATOM 0 HG SER A 49 -10.568 5.577 -6.314 1.00 0.00 H new ATOM 793 N VAL A 50 -7.872 3.779 -2.637 1.00 0.00 N ATOM 794 CA VAL A 50 -6.519 3.360 -2.297 1.00 0.00 C ATOM 795 C VAL A 50 -5.874 2.610 -3.456 1.00 0.00 C ATOM 796 O VAL A 50 -6.299 1.512 -3.808 1.00 0.00 O ATOM 797 CB VAL A 50 -6.506 2.462 -1.044 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.120 2.437 -0.425 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.539 2.934 -0.031 1.00 0.00 C ATOM 0 H VAL A 50 -8.543 3.014 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.948 4.265 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.767 1.448 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.128 1.799 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.405 2.046 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.831 3.448 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.512 2.286 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.314 3.958 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.532 2.897 -0.479 1.00 0.00 H new ATOM 809 N TYR A 51 -4.844 3.212 -4.048 1.00 0.00 N ATOM 810 CA TYR A 51 -4.143 2.593 -5.169 1.00 0.00 C ATOM 811 C TYR A 51 -2.703 2.263 -4.793 1.00 0.00 C ATOM 812 O TYR A 51 -2.055 3.013 -4.062 1.00 0.00 O ATOM 813 CB TYR A 51 -4.173 3.511 -6.393 1.00 0.00 C ATOM 814 CG TYR A 51 -3.413 4.807 -6.209 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.024 4.822 -6.166 1.00 0.00 C ATOM 816 CD2 TYR A 51 -4.085 6.016 -6.082 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.326 6.003 -6.001 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.395 7.202 -5.917 1.00 0.00 C ATOM 819 CZ TYR A 51 -2.016 7.190 -5.877 1.00 0.00 C ATOM 820 OH TYR A 51 -1.326 8.368 -5.713 1.00 0.00 O ATOM 0 H TYR A 51 -4.479 4.123 -3.771 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.655 1.663 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.757 2.976 -7.246 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.210 3.741 -6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.480 3.894 -6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.164 6.029 -6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.246 5.996 -5.969 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.933 8.134 -5.820 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.960 9.112 -5.642 1.00 0.00 H new ATOM 830 N ALA A 52 -2.210 1.133 -5.292 1.00 0.00 N ATOM 831 CA ALA A 52 -0.850 0.699 -5.003 1.00 0.00 C ATOM 832 C ALA A 52 0.100 1.034 -6.148 1.00 0.00 C ATOM 833 O ALA A 52 -0.107 0.608 -7.284 1.00 0.00 O ATOM 834 CB ALA A 52 -0.826 -0.796 -4.716 1.00 0.00 C ATOM 0 H ALA A 52 -2.734 0.502 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.507 1.238 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.196 -1.109 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.460 -1.012 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.197 -1.339 -5.585 1.00 0.00 H new ATOM 840 N GLU A 53 1.145 1.796 -5.838 1.00 0.00 N ATOM 841 CA GLU A 53 2.132 2.186 -6.837 1.00 0.00 C ATOM 842 C GLU A 53 3.367 1.295 -6.752 1.00 0.00 C ATOM 843 O GLU A 53 3.517 0.512 -5.814 1.00 0.00 O ATOM 844 CB GLU A 53 2.527 3.652 -6.648 1.00 0.00 C ATOM 845 CG GLU A 53 1.820 4.596 -7.605 1.00 0.00 C ATOM 846 CD GLU A 53 2.783 5.359 -8.493 1.00 0.00 C ATOM 847 OE1 GLU A 53 3.941 5.569 -8.072 1.00 0.00 O ATOM 848 OE2 GLU A 53 2.381 5.748 -9.610 1.00 0.00 O ATOM 0 H GLU A 53 1.329 2.155 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 53 1.686 2.065 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.305 3.951 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.604 3.750 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.131 4.026 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.220 5.304 -7.033 1.00 0.00 H new ATOM 855 N GLU A 54 4.249 1.420 -7.738 1.00 0.00 N ATOM 856 CA GLU A 54 5.471 0.626 -7.776 1.00 0.00 C ATOM 857 C GLU A 54 6.690 1.486 -7.464 1.00 0.00 C ATOM 858 O GLU A 54 6.711 2.683 -7.756 1.00 0.00 O ATOM 859 CB GLU A 54 5.633 -0.032 -9.148 1.00 0.00 C ATOM 860 CG GLU A 54 6.171 -1.452 -9.082 1.00 0.00 C ATOM 861 CD GLU A 54 7.218 -1.730 -10.142 1.00 0.00 C ATOM 862 OE1 GLU A 54 6.915 -1.545 -11.339 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.342 -2.133 -9.776 1.00 0.00 O ATOM 0 H GLU A 54 4.140 2.064 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 54 5.394 -0.150 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.667 -0.041 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.305 0.574 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.602 -1.628 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.346 -2.155 -9.199 1.00 0.00 H new