USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 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 181 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 125:sc= -2.38! USER MOD Single : A 187 THR OG1 : rot -116:sc= -2.82! USER MOD Single : A 190 GLN :FLIP amide:sc= -0.965 F(o=-4.4!,f=-0.96) USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 201 MET CE :methyl 147:sc= -0.0806 (180deg=-0.567) USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 209 THR OG1 : rot 180:sc= -0.822 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 216 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.14) USER MOD Single : A 218 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.16) USER MOD Single : A 219 SER OG : rot -89:sc= -1.67! USER MOD Single : A 221 MET CE :methyl -159:sc= -0.254 (180deg=-0.948) USER MOD Single : A 222 SER OG : rot 19:sc= 0.248 USER MOD Single : A 229 HIS :FLIP no HD1:sc= -3.02! C(o=-3.8!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 14.826 -4.231 7.402 1.00 4.65 N ATOM 2 CA VAL A 180 13.940 -3.657 6.367 1.00 3.82 C ATOM 3 C VAL A 180 13.827 -2.150 6.529 1.00 2.57 C ATOM 4 O VAL A 180 12.960 -1.641 7.242 1.00 2.89 O ATOM 5 CB VAL A 180 12.538 -4.308 6.381 1.00 4.73 C ATOM 6 CG1 VAL A 180 12.597 -5.693 5.762 1.00 5.32 C ATOM 7 CG2 VAL A 180 11.980 -4.393 7.795 1.00 5.61 C ATOM 0 HA VAL A 180 14.393 -3.873 5.399 1.00 3.82 H new ATOM 0 HB VAL A 180 11.871 -3.678 5.792 1.00 4.73 H new ATOM 0 HG11 VAL A 180 11.604 -6.141 5.778 1.00 5.32 H new ATOM 0 HG12 VAL A 180 12.944 -5.617 4.732 1.00 5.32 H new ATOM 0 HG13 VAL A 180 13.286 -6.317 6.332 1.00 5.32 H new ATOM 0 HG21 VAL A 180 10.993 -4.855 7.770 1.00 5.61 H new ATOM 0 HG22 VAL A 180 12.647 -4.994 8.414 1.00 5.61 H new ATOM 0 HG23 VAL A 180 11.900 -3.391 8.215 1.00 5.61 H new ATOM 19 N SER A 181 14.722 -1.440 5.861 1.00 1.75 N ATOM 20 CA SER A 181 14.727 0.007 5.887 1.00 1.16 C ATOM 21 C SER A 181 13.856 0.559 4.765 1.00 1.03 C ATOM 22 O SER A 181 14.094 1.657 4.260 1.00 1.99 O ATOM 23 CB SER A 181 16.159 0.517 5.762 1.00 2.05 C ATOM 24 OG SER A 181 16.970 0.003 6.807 1.00 2.76 O ATOM 0 H SER A 181 15.460 -1.851 5.290 1.00 1.75 H new ATOM 0 HA SER A 181 14.314 0.351 6.835 1.00 1.16 H new ATOM 0 HB2 SER A 181 16.572 0.223 4.797 1.00 2.05 H new ATOM 0 HB3 SER A 181 16.166 1.607 5.793 1.00 2.05 H new ATOM 0 HG SER A 181 17.885 0.341 6.708 1.00 2.76 H new ATOM 30 N ASP A 182 12.856 -0.239 4.379 1.00 0.65 N ATOM 31 CA ASP A 182 11.859 0.135 3.375 1.00 0.42 C ATOM 32 C ASP A 182 12.458 0.143 1.976 1.00 0.36 C ATOM 33 O ASP A 182 13.604 0.547 1.768 1.00 0.46 O ATOM 34 CB ASP A 182 11.228 1.509 3.659 1.00 0.46 C ATOM 35 CG ASP A 182 10.769 1.684 5.095 1.00 1.14 C ATOM 36 OD1 ASP A 182 11.451 2.390 5.865 1.00 1.26 O ATOM 37 OD2 ASP A 182 9.726 1.102 5.466 1.00 1.83 O ATOM 0 H ASP A 182 12.716 -1.174 4.761 1.00 0.65 H new ATOM 0 HA ASP A 182 11.077 -0.622 3.432 1.00 0.42 H new ATOM 0 HB2 ASP A 182 11.952 2.288 3.421 1.00 0.46 H new ATOM 0 HB3 ASP A 182 10.376 1.652 2.994 1.00 0.46 H new ATOM 42 N ILE A 183 11.671 -0.307 1.011 1.00 0.30 N ATOM 43 CA ILE A 183 12.064 -0.235 -0.371 1.00 0.32 C ATOM 44 C ILE A 183 11.900 1.185 -0.864 1.00 0.33 C ATOM 45 O ILE A 183 12.804 1.765 -1.462 1.00 0.50 O ATOM 46 CB ILE A 183 11.221 -1.162 -1.245 1.00 0.31 C ATOM 47 CG1 ILE A 183 11.443 -2.617 -0.832 1.00 0.33 C ATOM 48 CG2 ILE A 183 11.547 -0.933 -2.708 1.00 0.35 C ATOM 49 CD1 ILE A 183 10.936 -3.626 -1.838 1.00 0.43 C ATOM 0 H ILE A 183 10.755 -0.726 1.169 1.00 0.30 H new ATOM 0 HA ILE A 183 13.105 -0.550 -0.441 1.00 0.32 H new ATOM 0 HB ILE A 183 10.164 -0.937 -1.103 1.00 0.31 H new ATOM 0 HG12 ILE A 183 12.509 -2.781 -0.674 1.00 0.33 H new ATOM 0 HG13 ILE A 183 10.949 -2.792 0.124 1.00 0.33 H new ATOM 0 HG21 ILE A 183 10.942 -1.598 -3.324 1.00 0.35 H new ATOM 0 HG22 ILE A 183 11.331 0.102 -2.971 1.00 0.35 H new ATOM 0 HG23 ILE A 183 12.603 -1.139 -2.882 1.00 0.35 H new ATOM 0 HD11 ILE A 183 11.131 -4.634 -1.472 1.00 0.43 H new ATOM 0 HD12 ILE A 183 9.863 -3.492 -1.979 1.00 0.43 H new ATOM 0 HD13 ILE A 183 11.448 -3.480 -2.789 1.00 0.43 H new ATOM 61 N SER A 184 10.737 1.744 -0.597 1.00 0.21 N ATOM 62 CA SER A 184 10.482 3.115 -0.956 1.00 0.25 C ATOM 63 C SER A 184 10.042 3.922 0.248 1.00 0.22 C ATOM 64 O SER A 184 10.824 4.676 0.825 1.00 0.28 O ATOM 65 CB SER A 184 9.464 3.211 -2.070 1.00 0.35 C ATOM 66 OG SER A 184 9.153 4.559 -2.342 1.00 1.55 O ATOM 0 H SER A 184 9.961 1.270 -0.135 1.00 0.21 H new ATOM 0 HA SER A 184 11.418 3.538 -1.322 1.00 0.25 H new ATOM 0 HB2 SER A 184 9.854 2.733 -2.969 1.00 0.35 H new ATOM 0 HB3 SER A 184 8.559 2.672 -1.790 1.00 0.35 H new ATOM 0 HG SER A 184 9.301 4.743 -3.293 1.00 1.55 H new ATOM 72 N ALA A 185 8.795 3.748 0.632 1.00 0.19 N ATOM 73 CA ALA A 185 8.248 4.429 1.781 1.00 0.18 C ATOM 74 C ALA A 185 7.862 3.369 2.783 1.00 0.16 C ATOM 75 O ALA A 185 7.368 3.640 3.880 1.00 0.20 O ATOM 76 CB ALA A 185 7.049 5.255 1.352 1.00 0.22 C ATOM 0 H ALA A 185 8.136 3.132 0.157 1.00 0.19 H new ATOM 0 HA ALA A 185 8.970 5.111 2.230 1.00 0.18 H new ATOM 0 HB1 ALA A 185 6.634 5.771 2.218 1.00 0.22 H new ATOM 0 HB2 ALA A 185 7.360 5.988 0.608 1.00 0.22 H new ATOM 0 HB3 ALA A 185 6.291 4.600 0.922 1.00 0.22 H new ATOM 82 N LEU A 186 8.117 2.143 2.356 1.00 0.14 N ATOM 83 CA LEU A 186 7.690 0.960 3.039 1.00 0.12 C ATOM 84 C LEU A 186 8.366 -0.245 2.413 1.00 0.11 C ATOM 85 O LEU A 186 9.123 -0.108 1.454 1.00 0.12 O ATOM 86 CB LEU A 186 6.215 0.823 2.869 1.00 0.12 C ATOM 87 CG LEU A 186 5.799 0.797 1.432 1.00 0.10 C ATOM 88 CD1 LEU A 186 4.781 -0.271 1.240 1.00 0.10 C ATOM 89 CD2 LEU A 186 5.268 2.143 1.038 1.00 0.14 C ATOM 0 H LEU A 186 8.641 1.952 1.502 1.00 0.14 H new ATOM 0 HA LEU A 186 7.948 1.023 4.096 1.00 0.12 H new ATOM 0 HB2 LEU A 186 5.881 -0.093 3.356 1.00 0.12 H new ATOM 0 HB3 LEU A 186 5.717 1.652 3.372 1.00 0.12 H new ATOM 0 HG LEU A 186 6.654 0.575 0.793 1.00 0.10 H new ATOM 0 HD11 LEU A 186 4.473 -0.296 0.195 1.00 0.10 H new ATOM 0 HD12 LEU A 186 5.209 -1.235 1.516 1.00 0.10 H new ATOM 0 HD13 LEU A 186 3.915 -0.065 1.869 1.00 0.10 H new ATOM 0 HD21 LEU A 186 4.965 2.123 -0.009 1.00 0.14 H new ATOM 0 HD22 LEU A 186 4.408 2.391 1.660 1.00 0.14 H new ATOM 0 HD23 LEU A 186 6.045 2.895 1.177 1.00 0.14 H new ATOM 101 N THR A 187 8.047 -1.409 2.926 1.00 0.10 N ATOM 102 CA THR A 187 8.591 -2.661 2.424 1.00 0.09 C ATOM 103 C THR A 187 7.495 -3.648 2.021 1.00 0.06 C ATOM 104 O THR A 187 6.311 -3.429 2.249 1.00 0.06 O ATOM 105 CB THR A 187 9.505 -3.331 3.462 1.00 0.13 C ATOM 106 OG1 THR A 187 10.374 -2.364 4.061 1.00 0.20 O ATOM 107 CG2 THR A 187 10.330 -4.423 2.811 1.00 0.12 C ATOM 0 H THR A 187 7.401 -1.522 3.707 1.00 0.10 H new ATOM 0 HA THR A 187 9.171 -2.403 1.538 1.00 0.09 H new ATOM 0 HB THR A 187 8.877 -3.772 4.236 1.00 0.13 H new ATOM 0 HG1 THR A 187 11.304 -2.577 3.838 1.00 0.20 H new ATOM 0 HG21 THR A 187 10.972 -4.888 3.559 1.00 0.12 H new ATOM 0 HG22 THR A 187 9.666 -5.175 2.384 1.00 0.12 H new ATOM 0 HG23 THR A 187 10.946 -3.992 2.021 1.00 0.12 H new ATOM 115 N VAL A 188 7.938 -4.718 1.392 1.00 0.06 N ATOM 116 CA VAL A 188 7.102 -5.783 0.917 1.00 0.05 C ATOM 117 C VAL A 188 6.815 -6.737 2.048 1.00 0.06 C ATOM 118 O VAL A 188 7.710 -7.174 2.771 1.00 0.10 O ATOM 119 CB VAL A 188 7.768 -6.535 -0.253 1.00 0.06 C ATOM 120 CG1 VAL A 188 6.867 -7.637 -0.779 1.00 0.08 C ATOM 121 CG2 VAL A 188 8.157 -5.563 -1.364 1.00 0.08 C ATOM 0 H VAL A 188 8.927 -4.868 1.194 1.00 0.06 H new ATOM 0 HA VAL A 188 6.169 -5.355 0.552 1.00 0.05 H new ATOM 0 HB VAL A 188 8.678 -7.005 0.120 1.00 0.06 H new ATOM 0 HG11 VAL A 188 7.363 -8.150 -1.603 1.00 0.08 H new ATOM 0 HG12 VAL A 188 6.659 -8.349 0.019 1.00 0.08 H new ATOM 0 HG13 VAL A 188 5.931 -7.204 -1.132 1.00 0.08 H new ATOM 0 HG21 VAL A 188 8.625 -6.112 -2.181 1.00 0.08 H new ATOM 0 HG22 VAL A 188 7.265 -5.056 -1.732 1.00 0.08 H new ATOM 0 HG23 VAL A 188 8.858 -4.826 -0.973 1.00 0.08 H new ATOM 131 N GLY A 189 5.557 -7.049 2.170 1.00 0.06 N ATOM 132 CA GLY A 189 5.068 -7.763 3.316 1.00 0.08 C ATOM 133 C GLY A 189 4.875 -6.830 4.483 1.00 0.10 C ATOM 134 O GLY A 189 4.705 -7.270 5.621 1.00 0.14 O ATOM 0 H GLY A 189 4.842 -6.817 1.480 1.00 0.06 H new ATOM 0 HA2 GLY A 189 4.123 -8.248 3.072 1.00 0.08 H new ATOM 0 HA3 GLY A 189 5.771 -8.551 3.587 1.00 0.08 H new ATOM 138 N GLN A 190 4.888 -5.526 4.200 1.00 0.08 N ATOM 139 CA GLN A 190 4.732 -4.533 5.260 1.00 0.10 C ATOM 140 C GLN A 190 3.314 -4.572 5.757 1.00 0.13 C ATOM 141 O GLN A 190 3.054 -4.668 6.957 1.00 0.17 O ATOM 142 CB GLN A 190 5.005 -3.140 4.748 1.00 0.13 C ATOM 143 CG GLN A 190 5.125 -2.118 5.859 1.00 0.20 C ATOM 144 CD GLN A 190 4.216 -0.930 5.689 1.00 0.37 C ATOM 145 OE1 GLN A 190 3.889 -0.603 4.457 1.00 0.90 O flip ATOM 146 NE2 GLN A 190 3.805 -0.307 6.665 1.00 0.19 N flip ATOM 0 H GLN A 190 5.003 -5.140 3.263 1.00 0.08 H new ATOM 0 HA GLN A 190 5.441 -4.768 6.054 1.00 0.10 H new ATOM 0 HB2 GLN A 190 5.926 -3.146 4.166 1.00 0.13 H new ATOM 0 HB3 GLN A 190 4.203 -2.843 4.072 1.00 0.13 H new ATOM 0 HG2 GLN A 190 4.903 -2.601 6.811 1.00 0.20 H new ATOM 0 HG3 GLN A 190 6.157 -1.770 5.911 1.00 0.20 H new ATOM 0 HE21 GLN A 190 4.081 -0.591 7.605 1.00 0.19 H new ATOM 0 HE22 GLN A 190 3.188 0.495 6.535 1.00 0.19 H new ATOM 155 N ALA A 191 2.416 -4.477 4.790 1.00 0.13 N ATOM 156 CA ALA A 191 0.994 -4.500 5.019 1.00 0.15 C ATOM 157 C ALA A 191 0.509 -3.208 5.649 1.00 0.18 C ATOM 158 O ALA A 191 1.001 -2.755 6.684 1.00 0.22 O ATOM 159 CB ALA A 191 0.588 -5.694 5.836 1.00 0.17 C ATOM 0 H ALA A 191 2.668 -4.380 3.806 1.00 0.13 H new ATOM 0 HA ALA A 191 0.511 -4.589 4.046 1.00 0.15 H new ATOM 0 HB1 ALA A 191 -0.491 -5.680 5.990 1.00 0.17 H new ATOM 0 HB2 ALA A 191 0.868 -6.607 5.310 1.00 0.17 H new ATOM 0 HB3 ALA A 191 1.093 -5.663 6.802 1.00 0.17 H new ATOM 165 N LEU A 192 -0.459 -2.636 4.991 1.00 0.18 N ATOM 166 CA LEU A 192 -1.009 -1.353 5.332 1.00 0.21 C ATOM 167 C LEU A 192 -2.455 -1.291 4.872 1.00 0.28 C ATOM 168 O LEU A 192 -3.149 -2.303 4.880 1.00 0.35 O ATOM 169 CB LEU A 192 -0.159 -0.218 4.726 1.00 0.19 C ATOM 170 CG LEU A 192 0.718 -0.549 3.504 1.00 0.14 C ATOM 171 CD1 LEU A 192 -0.029 -1.307 2.439 1.00 0.17 C ATOM 172 CD2 LEU A 192 1.298 0.713 2.889 1.00 0.16 C ATOM 0 H LEU A 192 -0.902 -3.062 4.177 1.00 0.18 H new ATOM 0 HA LEU A 192 -0.988 -1.219 6.413 1.00 0.21 H new ATOM 0 HB2 LEU A 192 -0.833 0.591 4.445 1.00 0.19 H new ATOM 0 HB3 LEU A 192 0.492 0.168 5.510 1.00 0.19 H new ATOM 0 HG LEU A 192 1.520 -1.185 3.878 1.00 0.14 H new ATOM 0 HD11 LEU A 192 0.639 -1.513 1.602 1.00 0.17 H new ATOM 0 HD12 LEU A 192 -0.395 -2.248 2.851 1.00 0.17 H new ATOM 0 HD13 LEU A 192 -0.873 -0.710 2.092 1.00 0.17 H new ATOM 0 HD21 LEU A 192 1.913 0.449 2.028 1.00 0.16 H new ATOM 0 HD22 LEU A 192 0.487 1.367 2.569 1.00 0.16 H new ATOM 0 HD23 LEU A 192 1.911 1.229 3.628 1.00 0.16 H new ATOM 184 N LYS A 193 -2.912 -0.126 4.477 1.00 0.30 N ATOM 185 CA LYS A 193 -4.280 0.038 4.065 1.00 0.36 C ATOM 186 C LYS A 193 -4.365 0.749 2.733 1.00 0.38 C ATOM 187 O LYS A 193 -3.522 1.580 2.391 1.00 0.50 O ATOM 188 CB LYS A 193 -5.061 0.822 5.107 1.00 0.54 C ATOM 189 CG LYS A 193 -6.083 -0.005 5.865 1.00 1.37 C ATOM 190 CD LYS A 193 -6.751 0.790 6.981 1.00 2.35 C ATOM 191 CE LYS A 193 -5.759 1.209 8.056 1.00 3.14 C ATOM 192 NZ LYS A 193 -6.419 1.953 9.160 1.00 3.77 N ATOM 0 H LYS A 193 -2.351 0.724 4.433 1.00 0.30 H new ATOM 0 HA LYS A 193 -4.715 -0.956 3.961 1.00 0.36 H new ATOM 0 HB2 LYS A 193 -4.360 1.257 5.820 1.00 0.54 H new ATOM 0 HB3 LYS A 193 -5.572 1.650 4.616 1.00 0.54 H new ATOM 0 HG2 LYS A 193 -6.843 -0.365 5.172 1.00 1.37 H new ATOM 0 HG3 LYS A 193 -5.596 -0.884 6.288 1.00 1.37 H new ATOM 0 HD2 LYS A 193 -7.225 1.677 6.560 1.00 2.35 H new ATOM 0 HD3 LYS A 193 -7.541 0.189 7.431 1.00 2.35 H new ATOM 0 HE2 LYS A 193 -5.265 0.325 8.459 1.00 3.14 H new ATOM 0 HE3 LYS A 193 -4.983 1.832 7.611 1.00 3.14 H new ATOM 0 HZ1 LYS A 193 -5.709 2.220 9.871 1.00 3.77 H new ATOM 0 HZ2 LYS A 193 -6.869 2.810 8.780 1.00 3.77 H new ATOM 0 HZ3 LYS A 193 -7.142 1.350 9.602 1.00 3.77 H new ATOM 206 N VAL A 194 -5.397 0.410 1.997 1.00 0.35 N ATOM 207 CA VAL A 194 -5.684 1.025 0.736 1.00 0.50 C ATOM 208 C VAL A 194 -7.013 1.738 0.850 1.00 0.65 C ATOM 209 O VAL A 194 -7.879 1.317 1.591 1.00 1.66 O ATOM 210 CB VAL A 194 -5.780 -0.018 -0.394 1.00 0.55 C ATOM 211 CG1 VAL A 194 -7.032 -0.846 -0.214 1.00 0.59 C ATOM 212 CG2 VAL A 194 -5.806 0.654 -1.748 1.00 0.81 C ATOM 0 H VAL A 194 -6.066 -0.311 2.267 1.00 0.35 H new ATOM 0 HA VAL A 194 -4.877 1.717 0.494 1.00 0.50 H new ATOM 0 HB VAL A 194 -4.902 -0.662 -0.346 1.00 0.55 H new ATOM 0 HG11 VAL A 194 -7.099 -1.583 -1.014 1.00 0.59 H new ATOM 0 HG12 VAL A 194 -6.995 -1.357 0.748 1.00 0.59 H new ATOM 0 HG13 VAL A 194 -7.906 -0.196 -0.246 1.00 0.59 H new ATOM 0 HG21 VAL A 194 -5.874 -0.103 -2.529 1.00 0.81 H new ATOM 0 HG22 VAL A 194 -6.669 1.316 -1.809 1.00 0.81 H new ATOM 0 HG23 VAL A 194 -4.893 1.234 -1.884 1.00 0.81 H new ATOM 222 N LYS A 195 -7.157 2.800 0.124 1.00 0.72 N ATOM 223 CA LYS A 195 -8.390 3.538 0.079 1.00 0.76 C ATOM 224 C LYS A 195 -9.119 3.164 -1.188 1.00 0.75 C ATOM 225 O LYS A 195 -8.938 3.780 -2.240 1.00 0.90 O ATOM 226 CB LYS A 195 -8.123 5.029 0.097 1.00 0.99 C ATOM 227 CG LYS A 195 -9.297 5.857 0.587 1.00 1.34 C ATOM 228 CD LYS A 195 -8.866 6.867 1.637 1.00 1.95 C ATOM 229 CE LYS A 195 -8.333 6.181 2.888 1.00 2.62 C ATOM 230 NZ LYS A 195 -7.977 7.162 3.949 1.00 3.46 N ATOM 0 H LYS A 195 -6.418 3.188 -0.462 1.00 0.72 H new ATOM 0 HA LYS A 195 -8.994 3.293 0.953 1.00 0.76 H new ATOM 0 HB2 LYS A 195 -7.261 5.226 0.734 1.00 0.99 H new ATOM 0 HB3 LYS A 195 -7.857 5.353 -0.909 1.00 0.99 H new ATOM 0 HG2 LYS A 195 -9.753 6.378 -0.255 1.00 1.34 H new ATOM 0 HG3 LYS A 195 -10.059 5.199 1.005 1.00 1.34 H new ATOM 0 HD2 LYS A 195 -8.096 7.518 1.222 1.00 1.95 H new ATOM 0 HD3 LYS A 195 -9.712 7.502 1.901 1.00 1.95 H new ATOM 0 HE2 LYS A 195 -9.083 5.489 3.270 1.00 2.62 H new ATOM 0 HE3 LYS A 195 -7.455 5.589 2.631 1.00 2.62 H new ATOM 0 HZ1 LYS A 195 -7.618 6.656 4.784 1.00 3.46 H new ATOM 0 HZ2 LYS A 195 -7.243 7.807 3.593 1.00 3.46 H new ATOM 0 HZ3 LYS A 195 -8.821 7.710 4.213 1.00 3.46 H new ATOM 244 N ALA A 196 -9.920 2.138 -1.074 1.00 0.78 N ATOM 245 CA ALA A 196 -10.616 1.579 -2.211 1.00 0.90 C ATOM 246 C ALA A 196 -11.907 2.344 -2.444 1.00 1.13 C ATOM 247 O ALA A 196 -13.002 1.865 -2.148 1.00 1.32 O ATOM 248 CB ALA A 196 -10.864 0.097 -1.987 1.00 0.98 C ATOM 0 H ALA A 196 -10.111 1.663 -0.192 1.00 0.78 H new ATOM 0 HA ALA A 196 -10.005 1.677 -3.108 1.00 0.90 H new ATOM 0 HB1 ALA A 196 -11.389 -0.318 -2.847 1.00 0.98 H new ATOM 0 HB2 ALA A 196 -9.911 -0.416 -1.861 1.00 0.98 H new ATOM 0 HB3 ALA A 196 -11.471 -0.039 -1.092 1.00 0.98 H new ATOM 254 N GLY A 197 -11.753 3.554 -2.952 1.00 1.33 N ATOM 255 CA GLY A 197 -12.876 4.439 -3.134 1.00 1.64 C ATOM 256 C GLY A 197 -12.780 5.637 -2.221 1.00 1.67 C ATOM 257 O GLY A 197 -11.996 6.553 -2.463 1.00 2.12 O ATOM 0 H GLY A 197 -10.856 3.942 -3.245 1.00 1.33 H new ATOM 0 HA2 GLY A 197 -12.916 4.771 -4.171 1.00 1.64 H new ATOM 0 HA3 GLY A 197 -13.803 3.901 -2.936 1.00 1.64 H new ATOM 261 N GLN A 198 -13.564 5.620 -1.160 1.00 1.62 N ATOM 262 CA GLN A 198 -13.537 6.684 -0.173 1.00 1.70 C ATOM 263 C GLN A 198 -12.935 6.191 1.136 1.00 1.30 C ATOM 264 O GLN A 198 -12.483 6.975 1.973 1.00 1.43 O ATOM 265 CB GLN A 198 -14.931 7.219 0.046 1.00 2.07 C ATOM 266 CG GLN A 198 -14.967 8.346 1.047 1.00 2.41 C ATOM 267 CD GLN A 198 -16.267 9.119 1.020 1.00 3.03 C ATOM 268 OE1 GLN A 198 -16.417 10.084 0.272 1.00 3.46 O ATOM 269 NE2 GLN A 198 -17.214 8.708 1.846 1.00 3.45 N ATOM 0 H GLN A 198 -14.232 4.876 -0.958 1.00 1.62 H new ATOM 0 HA GLN A 198 -12.908 7.492 -0.547 1.00 1.70 H new ATOM 0 HB2 GLN A 198 -15.336 7.568 -0.904 1.00 2.07 H new ATOM 0 HB3 GLN A 198 -15.577 6.411 0.390 1.00 2.07 H new ATOM 0 HG2 GLN A 198 -14.812 7.941 2.047 1.00 2.41 H new ATOM 0 HG3 GLN A 198 -14.141 9.028 0.848 1.00 2.41 H new ATOM 0 HE21 GLN A 198 -17.050 7.903 2.450 1.00 3.45 H new ATOM 0 HE22 GLN A 198 -18.109 9.196 1.879 1.00 3.45 H new ATOM 278 N ASN A 199 -12.895 4.881 1.292 1.00 0.97 N ATOM 279 CA ASN A 199 -12.511 4.282 2.562 1.00 0.85 C ATOM 280 C ASN A 199 -11.255 3.444 2.446 1.00 0.71 C ATOM 281 O ASN A 199 -11.042 2.759 1.446 1.00 0.88 O ATOM 282 CB ASN A 199 -13.633 3.409 3.090 1.00 1.11 C ATOM 283 CG ASN A 199 -14.893 4.177 3.359 1.00 1.42 C ATOM 284 OD1 ASN A 199 -15.762 4.298 2.495 1.00 2.03 O ATOM 285 ND2 ASN A 199 -15.011 4.694 4.555 1.00 1.74 N ATOM 0 H ASN A 199 -13.123 4.210 0.558 1.00 0.97 H new ATOM 0 HA ASN A 199 -12.311 5.104 3.250 1.00 0.85 H new ATOM 0 HB2 ASN A 199 -13.842 2.619 2.369 1.00 1.11 H new ATOM 0 HB3 ASN A 199 -13.306 2.923 4.009 1.00 1.11 H new ATOM 0 HD21 ASN A 199 -15.848 5.222 4.802 1.00 1.74 H new ATOM 0 HD22 ASN A 199 -14.266 4.569 5.240 1.00 1.74 H new ATOM 292 N ALA A 200 -10.423 3.506 3.476 1.00 0.80 N ATOM 293 CA ALA A 200 -9.301 2.616 3.599 1.00 0.71 C ATOM 294 C ALA A 200 -9.826 1.256 4.007 1.00 0.69 C ATOM 295 O ALA A 200 -10.788 1.142 4.768 1.00 0.97 O ATOM 296 CB ALA A 200 -8.299 3.129 4.616 1.00 0.87 C ATOM 0 H ALA A 200 -10.515 4.175 4.241 1.00 0.80 H new ATOM 0 HA ALA A 200 -8.779 2.550 2.644 1.00 0.71 H new ATOM 0 HB1 ALA A 200 -7.463 2.434 4.686 1.00 0.87 H new ATOM 0 HB2 ALA A 200 -7.933 4.107 4.304 1.00 0.87 H new ATOM 0 HB3 ALA A 200 -8.781 3.215 5.590 1.00 0.87 H new ATOM 302 N MET A 201 -9.192 0.247 3.492 1.00 0.59 N ATOM 303 CA MET A 201 -9.665 -1.112 3.616 1.00 0.57 C ATOM 304 C MET A 201 -8.649 -1.929 4.392 1.00 0.53 C ATOM 305 O MET A 201 -8.801 -2.148 5.588 1.00 0.87 O ATOM 306 CB MET A 201 -9.883 -1.676 2.204 1.00 0.55 C ATOM 307 CG MET A 201 -10.577 -3.023 2.133 1.00 0.76 C ATOM 308 SD MET A 201 -12.070 -3.098 3.125 1.00 1.65 S ATOM 309 CE MET A 201 -12.970 -1.778 2.345 1.00 1.59 C ATOM 0 H MET A 201 -8.322 0.337 2.967 1.00 0.59 H new ATOM 0 HA MET A 201 -10.608 -1.151 4.161 1.00 0.57 H new ATOM 0 HB2 MET A 201 -10.468 -0.956 1.632 1.00 0.55 H new ATOM 0 HB3 MET A 201 -8.914 -1.761 1.713 1.00 0.55 H new ATOM 0 HG2 MET A 201 -10.826 -3.242 1.095 1.00 0.76 H new ATOM 0 HG3 MET A 201 -9.887 -3.799 2.466 1.00 0.76 H new ATOM 0 HE1 MET A 201 -14.036 -2.005 2.362 1.00 1.59 H new ATOM 0 HE2 MET A 201 -12.788 -0.847 2.882 1.00 1.59 H new ATOM 0 HE3 MET A 201 -12.638 -1.672 1.312 1.00 1.59 H new ATOM 319 N ASP A 202 -7.606 -2.317 3.674 1.00 0.28 N ATOM 320 CA ASP A 202 -6.421 -2.996 4.196 1.00 0.23 C ATOM 321 C ASP A 202 -5.716 -3.613 3.010 1.00 0.31 C ATOM 322 O ASP A 202 -6.373 -3.887 2.004 1.00 0.65 O ATOM 323 CB ASP A 202 -6.731 -4.088 5.232 1.00 0.36 C ATOM 324 CG ASP A 202 -6.517 -3.621 6.662 1.00 1.15 C ATOM 325 OD1 ASP A 202 -7.456 -3.739 7.476 1.00 1.68 O ATOM 326 OD2 ASP A 202 -5.413 -3.120 6.976 1.00 1.86 O ATOM 0 H ASP A 202 -7.556 -2.162 2.667 1.00 0.28 H new ATOM 0 HA ASP A 202 -5.809 -2.262 4.720 1.00 0.23 H new ATOM 0 HB2 ASP A 202 -7.764 -4.414 5.112 1.00 0.36 H new ATOM 0 HB3 ASP A 202 -6.099 -4.955 5.039 1.00 0.36 H new ATOM 331 N ALA A 203 -4.402 -3.776 3.062 1.00 0.10 N ATOM 332 CA ALA A 203 -3.712 -4.408 1.968 1.00 0.10 C ATOM 333 C ALA A 203 -2.290 -4.817 2.344 1.00 0.09 C ATOM 334 O ALA A 203 -1.660 -4.184 3.184 1.00 0.14 O ATOM 335 CB ALA A 203 -3.718 -3.442 0.824 1.00 0.15 C ATOM 0 H ALA A 203 -3.809 -3.483 3.838 1.00 0.10 H new ATOM 0 HA ALA A 203 -4.220 -5.333 1.694 1.00 0.10 H new ATOM 0 HB1 ALA A 203 -3.203 -3.884 -0.029 1.00 0.15 H new ATOM 0 HB2 ALA A 203 -4.747 -3.213 0.547 1.00 0.15 H new ATOM 0 HB3 ALA A 203 -3.209 -2.525 1.120 1.00 0.15 H new ATOM 341 N THR A 204 -1.774 -5.860 1.703 1.00 0.07 N ATOM 342 CA THR A 204 -0.463 -6.382 2.056 1.00 0.06 C ATOM 343 C THR A 204 0.527 -6.226 0.916 1.00 0.04 C ATOM 344 O THR A 204 0.271 -6.643 -0.196 1.00 0.07 O ATOM 345 CB THR A 204 -0.521 -7.858 2.454 1.00 0.09 C ATOM 346 OG1 THR A 204 -1.157 -8.005 3.730 1.00 0.13 O ATOM 347 CG2 THR A 204 0.883 -8.420 2.493 1.00 0.09 C ATOM 0 H THR A 204 -2.240 -6.356 0.943 1.00 0.07 H new ATOM 0 HA THR A 204 -0.128 -5.795 2.911 1.00 0.06 H new ATOM 0 HB THR A 204 -1.107 -8.409 1.718 1.00 0.09 H new ATOM 0 HG1 THR A 204 -1.189 -8.954 3.972 1.00 0.13 H new ATOM 0 HG21 THR A 204 0.846 -9.472 2.776 1.00 0.09 H new ATOM 0 HG22 THR A 204 1.340 -8.325 1.508 1.00 0.09 H new ATOM 0 HG23 THR A 204 1.476 -7.868 3.223 1.00 0.09 H new ATOM 355 N VAL A 205 1.679 -5.676 1.215 1.00 0.04 N ATOM 356 CA VAL A 205 2.627 -5.310 0.188 1.00 0.04 C ATOM 357 C VAL A 205 3.246 -6.517 -0.505 1.00 0.05 C ATOM 358 O VAL A 205 3.886 -7.343 0.135 1.00 0.07 O ATOM 359 CB VAL A 205 3.726 -4.428 0.757 1.00 0.05 C ATOM 360 CG1 VAL A 205 4.727 -4.115 -0.333 1.00 0.07 C ATOM 361 CG2 VAL A 205 3.118 -3.157 1.342 1.00 0.07 C ATOM 0 H VAL A 205 1.985 -5.471 2.166 1.00 0.04 H new ATOM 0 HA VAL A 205 2.063 -4.756 -0.563 1.00 0.04 H new ATOM 0 HB VAL A 205 4.246 -4.948 1.562 1.00 0.05 H new ATOM 0 HG11 VAL A 205 5.518 -3.482 0.070 1.00 0.07 H new ATOM 0 HG12 VAL A 205 5.160 -5.043 -0.707 1.00 0.07 H new ATOM 0 HG13 VAL A 205 4.226 -3.594 -1.149 1.00 0.07 H new ATOM 0 HG21 VAL A 205 3.910 -2.528 1.749 1.00 0.07 H new ATOM 0 HG22 VAL A 205 2.589 -2.613 0.559 1.00 0.07 H new ATOM 0 HG23 VAL A 205 2.420 -3.420 2.137 1.00 0.07 H new ATOM 371 N LEU A 206 3.026 -6.615 -1.811 1.00 0.06 N ATOM 372 CA LEU A 206 3.654 -7.643 -2.627 1.00 0.07 C ATOM 373 C LEU A 206 4.823 -7.069 -3.412 1.00 0.07 C ATOM 374 O LEU A 206 5.842 -7.731 -3.618 1.00 0.10 O ATOM 375 CB LEU A 206 2.623 -8.188 -3.590 1.00 0.09 C ATOM 376 CG LEU A 206 1.244 -8.337 -2.977 1.00 0.23 C ATOM 377 CD1 LEU A 206 0.221 -8.585 -4.054 1.00 0.60 C ATOM 378 CD2 LEU A 206 1.252 -9.436 -1.935 1.00 0.51 C ATOM 0 H LEU A 206 2.411 -5.988 -2.330 1.00 0.06 H new ATOM 0 HA LEU A 206 4.031 -8.435 -1.979 1.00 0.07 H new ATOM 0 HB2 LEU A 206 2.559 -7.527 -4.454 1.00 0.09 H new ATOM 0 HB3 LEU A 206 2.956 -9.159 -3.956 1.00 0.09 H new ATOM 0 HG LEU A 206 0.969 -7.411 -2.473 1.00 0.23 H new ATOM 0 HD11 LEU A 206 -0.765 -8.690 -3.602 1.00 0.60 H new ATOM 0 HD12 LEU A 206 0.214 -7.745 -4.749 1.00 0.60 H new ATOM 0 HD13 LEU A 206 0.473 -9.499 -4.592 1.00 0.60 H new ATOM 0 HD21 LEU A 206 0.257 -9.534 -1.502 1.00 0.51 H new ATOM 0 HD22 LEU A 206 1.539 -10.378 -2.402 1.00 0.51 H new ATOM 0 HD23 LEU A 206 1.967 -9.188 -1.150 1.00 0.51 H new ATOM 390 N GLU A 207 4.664 -5.830 -3.849 1.00 0.07 N ATOM 391 CA GLU A 207 5.685 -5.116 -4.558 1.00 0.10 C ATOM 392 C GLU A 207 5.466 -3.676 -4.230 1.00 0.10 C ATOM 393 O GLU A 207 4.400 -3.309 -3.764 1.00 0.14 O ATOM 394 CB GLU A 207 5.597 -5.288 -6.070 1.00 0.17 C ATOM 395 CG GLU A 207 5.707 -6.720 -6.566 1.00 1.08 C ATOM 396 CD GLU A 207 5.754 -6.796 -8.078 1.00 1.58 C ATOM 397 OE1 GLU A 207 6.826 -6.527 -8.659 1.00 1.96 O ATOM 398 OE2 GLU A 207 4.723 -7.148 -8.692 1.00 2.20 O ATOM 0 H GLU A 207 3.806 -5.295 -3.714 1.00 0.07 H new ATOM 0 HA GLU A 207 6.664 -5.493 -4.262 1.00 0.10 H new ATOM 0 HB2 GLU A 207 4.649 -4.874 -6.412 1.00 0.17 H new ATOM 0 HB3 GLU A 207 6.388 -4.698 -6.533 1.00 0.17 H new ATOM 0 HG2 GLU A 207 6.605 -7.179 -6.152 1.00 1.08 H new ATOM 0 HG3 GLU A 207 4.857 -7.296 -6.200 1.00 1.08 H new ATOM 405 N ILE A 208 6.454 -2.878 -4.456 1.00 0.09 N ATOM 406 CA ILE A 208 6.389 -1.481 -4.086 1.00 0.09 C ATOM 407 C ILE A 208 6.694 -0.570 -5.256 1.00 0.09 C ATOM 408 O ILE A 208 7.392 -0.956 -6.193 1.00 0.15 O ATOM 409 CB ILE A 208 7.358 -1.228 -2.946 1.00 0.10 C ATOM 410 CG1 ILE A 208 7.090 -2.256 -1.872 1.00 0.08 C ATOM 411 CG2 ILE A 208 7.233 0.170 -2.379 1.00 0.11 C ATOM 412 CD1 ILE A 208 7.328 -1.709 -0.511 1.00 0.08 C ATOM 0 H ILE A 208 7.329 -3.160 -4.898 1.00 0.09 H new ATOM 0 HA ILE A 208 5.372 -1.254 -3.767 1.00 0.09 H new ATOM 0 HB ILE A 208 8.376 -1.314 -3.325 1.00 0.10 H new ATOM 0 HG12 ILE A 208 6.059 -2.602 -1.949 1.00 0.08 H new ATOM 0 HG13 ILE A 208 7.730 -3.124 -2.032 1.00 0.08 H new ATOM 0 HG21 ILE A 208 7.948 0.298 -1.567 1.00 0.11 H new ATOM 0 HG22 ILE A 208 7.438 0.900 -3.162 1.00 0.11 H new ATOM 0 HG23 ILE A 208 6.222 0.320 -2.000 1.00 0.11 H new ATOM 0 HD11 ILE A 208 7.124 -2.480 0.232 1.00 0.08 H new ATOM 0 HD12 ILE A 208 8.366 -1.387 -0.424 1.00 0.08 H new ATOM 0 HD13 ILE A 208 6.669 -0.858 -0.341 1.00 0.08 H new ATOM 424 N THR A 209 6.187 0.651 -5.187 1.00 0.07 N ATOM 425 CA THR A 209 6.298 1.561 -6.316 1.00 0.08 C ATOM 426 C THR A 209 7.235 2.710 -6.010 1.00 0.13 C ATOM 427 O THR A 209 8.073 2.614 -5.110 1.00 0.18 O ATOM 428 CB THR A 209 4.932 2.115 -6.782 1.00 0.10 C ATOM 429 OG1 THR A 209 4.347 2.954 -5.787 1.00 0.13 O ATOM 430 CG2 THR A 209 3.971 0.986 -7.117 1.00 0.11 C ATOM 0 H THR A 209 5.702 1.031 -4.374 1.00 0.07 H new ATOM 0 HA THR A 209 6.709 0.968 -7.133 1.00 0.08 H new ATOM 0 HB THR A 209 5.115 2.706 -7.679 1.00 0.10 H new ATOM 0 HG1 THR A 209 3.485 3.291 -6.109 1.00 0.13 H new ATOM 0 HG21 THR A 209 3.018 1.404 -7.442 1.00 0.11 H new ATOM 0 HG22 THR A 209 4.391 0.376 -7.916 1.00 0.11 H new ATOM 0 HG23 THR A 209 3.814 0.368 -6.233 1.00 0.11 H new ATOM 438 N LYS A 210 7.104 3.774 -6.791 1.00 0.20 N ATOM 439 CA LYS A 210 7.908 4.970 -6.628 1.00 0.29 C ATOM 440 C LYS A 210 7.912 5.449 -5.189 1.00 0.25 C ATOM 441 O LYS A 210 8.926 5.934 -4.689 1.00 0.33 O ATOM 442 CB LYS A 210 7.370 6.073 -7.515 1.00 0.42 C ATOM 443 CG LYS A 210 7.504 5.803 -9.010 1.00 1.38 C ATOM 444 CD LYS A 210 8.934 5.463 -9.410 1.00 2.07 C ATOM 445 CE LYS A 210 9.903 6.583 -9.068 1.00 2.86 C ATOM 446 NZ LYS A 210 11.296 6.246 -9.457 1.00 3.82 N ATOM 0 H LYS A 210 6.433 3.828 -7.558 1.00 0.20 H new ATOM 0 HA LYS A 210 8.931 4.722 -6.911 1.00 0.29 H new ATOM 0 HB2 LYS A 210 6.317 6.230 -7.280 1.00 0.42 H new ATOM 0 HB3 LYS A 210 7.892 7.000 -7.278 1.00 0.42 H new ATOM 0 HG2 LYS A 210 6.846 4.980 -9.289 1.00 1.38 H new ATOM 0 HG3 LYS A 210 7.172 6.679 -9.566 1.00 1.38 H new ATOM 0 HD2 LYS A 210 9.244 4.548 -8.904 1.00 2.07 H new ATOM 0 HD3 LYS A 210 8.973 5.264 -10.481 1.00 2.07 H new ATOM 0 HE2 LYS A 210 9.595 7.497 -9.575 1.00 2.86 H new ATOM 0 HE3 LYS A 210 9.863 6.784 -7.997 1.00 2.86 H new ATOM 0 HZ1 LYS A 210 11.927 7.035 -9.207 1.00 3.82 H new ATOM 0 HZ2 LYS A 210 11.599 5.388 -8.954 1.00 3.82 H new ATOM 0 HZ3 LYS A 210 11.339 6.079 -10.483 1.00 3.82 H new ATOM 460 N ASP A 211 6.781 5.283 -4.523 1.00 0.15 N ATOM 461 CA ASP A 211 6.612 5.778 -3.168 1.00 0.14 C ATOM 462 C ASP A 211 5.429 5.062 -2.552 1.00 0.11 C ATOM 463 O ASP A 211 5.342 4.882 -1.339 1.00 0.16 O ATOM 464 CB ASP A 211 6.399 7.296 -3.203 1.00 0.23 C ATOM 465 CG ASP A 211 6.918 8.012 -1.967 1.00 1.05 C ATOM 466 OD1 ASP A 211 8.048 7.717 -1.526 1.00 1.67 O ATOM 467 OD2 ASP A 211 6.217 8.912 -1.460 1.00 1.33 O ATOM 0 H ASP A 211 5.963 4.806 -4.902 1.00 0.15 H new ATOM 0 HA ASP A 211 7.498 5.584 -2.563 1.00 0.14 H new ATOM 0 HB2 ASP A 211 6.895 7.704 -4.084 1.00 0.23 H new ATOM 0 HB3 ASP A 211 5.334 7.503 -3.312 1.00 0.23 H new ATOM 472 N GLY A 212 4.550 4.591 -3.427 1.00 0.10 N ATOM 473 CA GLY A 212 3.415 3.829 -3.009 1.00 0.10 C ATOM 474 C GLY A 212 3.774 2.402 -3.072 1.00 0.09 C ATOM 475 O GLY A 212 4.942 2.043 -2.924 1.00 0.10 O ATOM 0 H GLY A 212 4.616 4.733 -4.435 1.00 0.10 H new ATOM 0 HA2 GLY A 212 3.124 4.104 -1.995 1.00 0.10 H new ATOM 0 HA3 GLY A 212 2.560 4.035 -3.653 1.00 0.10 H new ATOM 479 N VAL A 213 2.812 1.572 -3.319 1.00 0.08 N ATOM 480 CA VAL A 213 3.070 0.191 -3.341 1.00 0.07 C ATOM 481 C VAL A 213 2.237 -0.502 -4.393 1.00 0.07 C ATOM 482 O VAL A 213 1.504 0.132 -5.146 1.00 0.08 O ATOM 483 CB VAL A 213 2.745 -0.410 -1.977 1.00 0.08 C ATOM 484 CG1 VAL A 213 3.736 -1.478 -1.642 1.00 0.09 C ATOM 485 CG2 VAL A 213 2.708 0.644 -0.887 1.00 0.09 C ATOM 0 H VAL A 213 1.845 1.838 -3.507 1.00 0.08 H new ATOM 0 HA VAL A 213 4.124 0.046 -3.578 1.00 0.07 H new ATOM 0 HB VAL A 213 1.749 -0.848 -2.034 1.00 0.08 H new ATOM 0 HG11 VAL A 213 3.498 -1.903 -0.667 1.00 0.09 H new ATOM 0 HG12 VAL A 213 3.696 -2.262 -2.399 1.00 0.09 H new ATOM 0 HG13 VAL A 213 4.738 -1.050 -1.616 1.00 0.09 H new ATOM 0 HG21 VAL A 213 2.473 0.172 0.067 1.00 0.09 H new ATOM 0 HG22 VAL A 213 3.680 1.133 -0.821 1.00 0.09 H new ATOM 0 HG23 VAL A 213 1.944 1.385 -1.123 1.00 0.09 H new ATOM 495 N ARG A 214 2.398 -1.794 -4.449 1.00 0.07 N ATOM 496 CA ARG A 214 1.427 -2.671 -5.037 1.00 0.07 C ATOM 497 C ARG A 214 1.160 -3.765 -4.043 1.00 0.09 C ATOM 498 O ARG A 214 1.861 -4.776 -3.971 1.00 0.16 O ATOM 499 CB ARG A 214 1.885 -3.270 -6.348 1.00 0.12 C ATOM 500 CG ARG A 214 0.947 -4.339 -6.871 1.00 1.21 C ATOM 501 CD ARG A 214 1.198 -4.630 -8.337 1.00 1.35 C ATOM 502 NE ARG A 214 0.233 -5.582 -8.875 1.00 1.97 N ATOM 503 CZ ARG A 214 -0.727 -5.264 -9.742 1.00 2.58 C ATOM 504 NH1 ARG A 214 -0.876 -4.009 -10.148 1.00 2.84 N ATOM 505 NH2 ARG A 214 -1.544 -6.203 -10.196 1.00 3.39 N ATOM 0 H ARG A 214 3.220 -2.274 -4.082 1.00 0.07 H new ATOM 0 HA ARG A 214 0.529 -2.097 -5.266 1.00 0.07 H new ATOM 0 HB2 ARG A 214 1.974 -2.478 -7.091 1.00 0.12 H new ATOM 0 HB3 ARG A 214 2.879 -3.699 -6.218 1.00 0.12 H new ATOM 0 HG2 ARG A 214 1.075 -5.253 -6.291 1.00 1.21 H new ATOM 0 HG3 ARG A 214 -0.085 -4.017 -6.735 1.00 1.21 H new ATOM 0 HD2 ARG A 214 1.147 -3.701 -8.905 1.00 1.35 H new ATOM 0 HD3 ARG A 214 2.206 -5.025 -8.461 1.00 1.35 H new ATOM 0 HE ARG A 214 0.297 -6.553 -8.568 1.00 1.97 H new ATOM 0 HH11 ARG A 214 -0.253 -3.282 -9.796 1.00 2.84 H new ATOM 0 HH12 ARG A 214 -1.613 -3.772 -10.812 1.00 2.84 H new ATOM 0 HH21 ARG A 214 -1.437 -7.167 -9.882 1.00 3.39 H new ATOM 0 HH22 ARG A 214 -2.280 -5.961 -10.860 1.00 3.39 H new ATOM 519 N VAL A 215 0.175 -3.518 -3.246 1.00 0.07 N ATOM 520 CA VAL A 215 -0.183 -4.414 -2.179 1.00 0.07 C ATOM 521 C VAL A 215 -1.168 -5.434 -2.665 1.00 0.08 C ATOM 522 O VAL A 215 -1.507 -5.461 -3.833 1.00 0.12 O ATOM 523 CB VAL A 215 -0.856 -3.638 -1.078 1.00 0.08 C ATOM 524 CG1 VAL A 215 0.038 -2.541 -0.558 1.00 0.10 C ATOM 525 CG2 VAL A 215 -2.143 -3.089 -1.625 1.00 0.09 C ATOM 0 H VAL A 215 -0.412 -2.687 -3.310 1.00 0.07 H new ATOM 0 HA VAL A 215 0.725 -4.900 -1.823 1.00 0.07 H new ATOM 0 HB VAL A 215 -1.063 -4.291 -0.230 1.00 0.08 H new ATOM 0 HG11 VAL A 215 -0.476 -1.999 0.236 1.00 0.10 H new ATOM 0 HG12 VAL A 215 0.957 -2.976 -0.165 1.00 0.10 H new ATOM 0 HG13 VAL A 215 0.280 -1.854 -1.369 1.00 0.10 H new ATOM 0 HG21 VAL A 215 -2.655 -2.520 -0.849 1.00 0.09 H new ATOM 0 HG22 VAL A 215 -1.930 -2.437 -2.472 1.00 0.09 H new ATOM 0 HG23 VAL A 215 -2.780 -3.911 -1.952 1.00 0.09 H new ATOM 535 N GLN A 216 -1.615 -6.255 -1.751 1.00 0.08 N ATOM 536 CA GLN A 216 -2.728 -7.114 -1.983 1.00 0.12 C ATOM 537 C GLN A 216 -3.934 -6.542 -1.271 1.00 0.13 C ATOM 538 O GLN A 216 -3.989 -6.570 -0.044 1.00 0.16 O ATOM 539 CB GLN A 216 -2.409 -8.488 -1.416 1.00 0.18 C ATOM 540 CG GLN A 216 -3.320 -9.577 -1.932 1.00 0.30 C ATOM 541 CD GLN A 216 -4.229 -10.164 -0.862 1.00 0.94 C ATOM 542 OE1 GLN A 216 -4.587 -11.341 -0.918 1.00 1.64 O ATOM 543 NE2 GLN A 216 -4.615 -9.358 0.117 1.00 1.69 N ATOM 0 H GLN A 216 -1.208 -6.341 -0.820 1.00 0.08 H new ATOM 0 HA GLN A 216 -2.933 -7.196 -3.050 1.00 0.12 H new ATOM 0 HB2 GLN A 216 -1.377 -8.742 -1.659 1.00 0.18 H new ATOM 0 HB3 GLN A 216 -2.480 -8.450 -0.329 1.00 0.18 H new ATOM 0 HG2 GLN A 216 -3.933 -9.175 -2.738 1.00 0.30 H new ATOM 0 HG3 GLN A 216 -2.713 -10.375 -2.360 1.00 0.30 H new ATOM 0 HE21 GLN A 216 -4.300 -8.388 0.133 1.00 1.69 H new ATOM 0 HE22 GLN A 216 -5.227 -9.708 0.854 1.00 1.69 H new ATOM 552 N LEU A 217 -4.885 -6.018 -2.018 1.00 0.17 N ATOM 553 CA LEU A 217 -6.028 -5.357 -1.400 1.00 0.20 C ATOM 554 C LEU A 217 -6.899 -6.333 -0.664 1.00 0.23 C ATOM 555 O LEU A 217 -7.156 -7.440 -1.120 1.00 0.30 O ATOM 556 CB LEU A 217 -6.859 -4.552 -2.397 1.00 0.25 C ATOM 557 CG LEU A 217 -6.221 -3.234 -2.844 1.00 0.25 C ATOM 558 CD1 LEU A 217 -4.920 -3.490 -3.562 1.00 0.23 C ATOM 559 CD2 LEU A 217 -7.167 -2.415 -3.711 1.00 0.32 C ATOM 0 H LEU A 217 -4.895 -6.033 -3.038 1.00 0.17 H new ATOM 0 HA LEU A 217 -5.611 -4.651 -0.682 1.00 0.20 H new ATOM 0 HB2 LEU A 217 -7.043 -5.168 -3.277 1.00 0.25 H new ATOM 0 HB3 LEU A 217 -7.830 -4.337 -1.950 1.00 0.25 H new ATOM 0 HG LEU A 217 -6.013 -2.649 -1.948 1.00 0.25 H new ATOM 0 HD11 LEU A 217 -4.482 -2.541 -3.872 1.00 0.23 H new ATOM 0 HD12 LEU A 217 -4.231 -4.006 -2.894 1.00 0.23 H new ATOM 0 HD13 LEU A 217 -5.105 -4.108 -4.441 1.00 0.23 H new ATOM 0 HD21 LEU A 217 -6.677 -1.487 -4.008 1.00 0.32 H new ATOM 0 HD22 LEU A 217 -7.432 -2.986 -4.601 1.00 0.32 H new ATOM 0 HD23 LEU A 217 -8.070 -2.184 -3.146 1.00 0.32 H new ATOM 571 N ASN A 218 -7.325 -5.891 0.497 1.00 0.26 N ATOM 572 CA ASN A 218 -8.241 -6.647 1.337 1.00 0.31 C ATOM 573 C ASN A 218 -9.618 -6.617 0.702 1.00 0.48 C ATOM 574 O ASN A 218 -10.471 -7.463 0.967 1.00 0.62 O ATOM 575 CB ASN A 218 -8.283 -6.057 2.744 1.00 0.46 C ATOM 576 CG ASN A 218 -9.297 -6.730 3.649 1.00 0.68 C ATOM 577 OD1 ASN A 218 -10.457 -6.325 3.716 1.00 1.28 O ATOM 578 ND2 ASN A 218 -8.863 -7.751 4.365 1.00 0.97 N ATOM 0 H ASN A 218 -7.047 -4.993 0.892 1.00 0.26 H new ATOM 0 HA ASN A 218 -7.900 -7.679 1.420 1.00 0.31 H new ATOM 0 HB2 ASN A 218 -7.294 -6.140 3.194 1.00 0.46 H new ATOM 0 HB3 ASN A 218 -8.515 -4.994 2.678 1.00 0.46 H new ATOM 0 HD21 ASN A 218 -9.497 -8.234 5.002 1.00 0.97 H new ATOM 0 HD22 ASN A 218 -7.894 -8.057 4.281 1.00 0.97 H new ATOM 585 N SER A 219 -9.816 -5.612 -0.145 1.00 0.55 N ATOM 586 CA SER A 219 -10.940 -5.578 -1.059 1.00 0.73 C ATOM 587 C SER A 219 -10.859 -6.777 -1.989 1.00 0.72 C ATOM 588 O SER A 219 -11.842 -7.179 -2.610 1.00 0.90 O ATOM 589 CB SER A 219 -10.898 -4.292 -1.869 1.00 0.80 C ATOM 590 OG SER A 219 -10.804 -3.162 -1.020 1.00 1.11 O ATOM 0 H SER A 219 -9.200 -4.802 -0.213 1.00 0.55 H new ATOM 0 HA SER A 219 -11.874 -5.614 -0.498 1.00 0.73 H new ATOM 0 HB2 SER A 219 -10.046 -4.313 -2.548 1.00 0.80 H new ATOM 0 HB3 SER A 219 -11.794 -4.216 -2.484 1.00 0.80 H new ATOM 0 HG SER A 219 -11.704 -2.858 -0.779 1.00 1.11 H new ATOM 596 N GLY A 220 -9.661 -7.342 -2.063 1.00 0.58 N ATOM 597 CA GLY A 220 -9.443 -8.516 -2.870 1.00 0.68 C ATOM 598 C GLY A 220 -8.642 -8.224 -4.116 1.00 0.59 C ATOM 599 O GLY A 220 -8.593 -9.042 -5.034 1.00 0.67 O ATOM 0 H GLY A 220 -8.834 -7.002 -1.573 1.00 0.58 H new ATOM 0 HA2 GLY A 220 -8.924 -9.269 -2.277 1.00 0.68 H new ATOM 0 HA3 GLY A 220 -10.406 -8.942 -3.153 1.00 0.68 H new ATOM 603 N MET A 221 -8.002 -7.061 -4.156 1.00 0.47 N ATOM 604 CA MET A 221 -7.232 -6.672 -5.320 1.00 0.50 C ATOM 605 C MET A 221 -5.749 -6.847 -5.037 1.00 0.64 C ATOM 606 O MET A 221 -5.344 -7.704 -4.259 1.00 1.56 O ATOM 607 CB MET A 221 -7.519 -5.205 -5.660 1.00 0.49 C ATOM 608 CG MET A 221 -7.366 -4.821 -7.127 1.00 0.79 C ATOM 609 SD MET A 221 -7.835 -3.113 -7.451 1.00 1.00 S ATOM 610 CE MET A 221 -9.566 -3.173 -7.017 1.00 0.86 C ATOM 0 H MET A 221 -8.004 -6.378 -3.398 1.00 0.47 H new ATOM 0 HA MET A 221 -7.514 -7.302 -6.164 1.00 0.50 H new ATOM 0 HB2 MET A 221 -8.537 -4.972 -5.347 1.00 0.49 H new ATOM 0 HB3 MET A 221 -6.852 -4.578 -5.068 1.00 0.49 H new ATOM 0 HG2 MET A 221 -6.331 -4.973 -7.432 1.00 0.79 H new ATOM 0 HG3 MET A 221 -7.979 -5.484 -7.738 1.00 0.79 H new ATOM 0 HE1 MET A 221 -10.089 -2.344 -7.493 1.00 0.86 H new ATOM 0 HE2 MET A 221 -9.994 -4.116 -7.357 1.00 0.86 H new ATOM 0 HE3 MET A 221 -9.673 -3.096 -5.935 1.00 0.86 H new ATOM 620 N SER A 222 -4.988 -5.956 -5.628 1.00 0.40 N ATOM 621 CA SER A 222 -3.536 -5.894 -5.571 1.00 0.24 C ATOM 622 C SER A 222 -3.102 -4.754 -6.471 1.00 0.20 C ATOM 623 O SER A 222 -3.410 -4.768 -7.664 1.00 0.26 O ATOM 624 CB SER A 222 -2.830 -7.170 -6.021 1.00 0.32 C ATOM 625 OG SER A 222 -3.059 -8.257 -5.142 1.00 0.90 O ATOM 0 H SER A 222 -5.384 -5.208 -6.197 1.00 0.40 H new ATOM 0 HA SER A 222 -3.255 -5.751 -4.527 1.00 0.24 H new ATOM 0 HB2 SER A 222 -3.172 -7.437 -7.021 1.00 0.32 H new ATOM 0 HB3 SER A 222 -1.758 -6.983 -6.091 1.00 0.32 H new ATOM 0 HG SER A 222 -3.850 -8.073 -4.593 1.00 0.90 H new ATOM 631 N LEU A 223 -2.362 -3.799 -5.914 1.00 0.16 N ATOM 632 CA LEU A 223 -2.223 -2.482 -6.564 1.00 0.17 C ATOM 633 C LEU A 223 -1.750 -1.379 -5.610 1.00 0.12 C ATOM 634 O LEU A 223 -0.904 -0.568 -5.959 1.00 0.14 O ATOM 635 CB LEU A 223 -3.595 -2.051 -7.095 1.00 0.21 C ATOM 636 CG LEU A 223 -3.621 -0.775 -7.933 1.00 0.30 C ATOM 637 CD1 LEU A 223 -2.921 -0.998 -9.261 1.00 0.38 C ATOM 638 CD2 LEU A 223 -5.053 -0.319 -8.154 1.00 0.37 C ATOM 0 H LEU A 223 -1.856 -3.899 -5.034 1.00 0.16 H new ATOM 0 HA LEU A 223 -1.477 -2.600 -7.350 1.00 0.17 H new ATOM 0 HB2 LEU A 223 -4.001 -2.864 -7.696 1.00 0.21 H new ATOM 0 HB3 LEU A 223 -4.265 -1.917 -6.246 1.00 0.21 H new ATOM 0 HG LEU A 223 -3.089 0.007 -7.392 1.00 0.30 H new ATOM 0 HD11 LEU A 223 -2.949 -0.079 -9.846 1.00 0.38 H new ATOM 0 HD12 LEU A 223 -1.884 -1.283 -9.082 1.00 0.38 H new ATOM 0 HD13 LEU A 223 -3.427 -1.792 -9.810 1.00 0.38 H new ATOM 0 HD21 LEU A 223 -5.057 0.592 -8.753 1.00 0.37 H new ATOM 0 HD22 LEU A 223 -5.607 -1.099 -8.676 1.00 0.37 H new ATOM 0 HD23 LEU A 223 -5.525 -0.122 -7.191 1.00 0.37 H new ATOM 650 N ILE A 224 -2.296 -1.407 -4.402 1.00 0.11 N ATOM 651 CA ILE A 224 -2.415 -0.247 -3.519 1.00 0.10 C ATOM 652 C ILE A 224 -2.614 1.074 -4.287 1.00 0.12 C ATOM 653 O ILE A 224 -3.758 1.403 -4.610 1.00 0.18 O ATOM 654 CB ILE A 224 -1.333 -0.173 -2.384 1.00 0.10 C ATOM 655 CG1 ILE A 224 -1.971 0.322 -1.090 1.00 0.20 C ATOM 656 CG2 ILE A 224 -0.116 0.657 -2.683 1.00 0.10 C ATOM 657 CD1 ILE A 224 -1.003 0.953 -0.116 1.00 0.23 C ATOM 0 H ILE A 224 -2.680 -2.260 -3.995 1.00 0.11 H new ATOM 0 HA ILE A 224 -3.343 -0.408 -2.971 1.00 0.10 H new ATOM 0 HB ILE A 224 -0.966 -1.195 -2.293 1.00 0.10 H new ATOM 0 HG12 ILE A 224 -2.745 1.049 -1.336 1.00 0.20 H new ATOM 0 HG13 ILE A 224 -2.466 -0.516 -0.600 1.00 0.20 H new ATOM 0 HG21 ILE A 224 0.559 0.634 -1.828 1.00 0.10 H new ATOM 0 HG22 ILE A 224 0.393 0.254 -3.559 1.00 0.10 H new ATOM 0 HG23 ILE A 224 -0.417 1.686 -2.880 1.00 0.10 H new ATOM 0 HD11 ILE A 224 -1.542 1.276 0.775 1.00 0.23 H new ATOM 0 HD12 ILE A 224 -0.242 0.225 0.164 1.00 0.23 H new ATOM 0 HD13 ILE A 224 -0.526 1.814 -0.584 1.00 0.23 H new ATOM 669 N VAL A 225 -1.536 1.788 -4.631 1.00 0.12 N ATOM 670 CA VAL A 225 -1.636 3.164 -5.110 1.00 0.18 C ATOM 671 C VAL A 225 -0.291 3.859 -4.921 1.00 0.13 C ATOM 672 O VAL A 225 0.759 3.213 -4.872 1.00 0.13 O ATOM 673 CB VAL A 225 -2.746 3.911 -4.318 1.00 0.28 C ATOM 674 CG1 VAL A 225 -2.325 4.134 -2.875 1.00 0.42 C ATOM 675 CG2 VAL A 225 -3.189 5.206 -4.990 1.00 0.80 C ATOM 0 H VAL A 225 -0.582 1.430 -4.585 1.00 0.12 H new ATOM 0 HA VAL A 225 -1.896 3.171 -6.169 1.00 0.18 H new ATOM 0 HB VAL A 225 -3.624 3.265 -4.317 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -3.118 4.658 -2.342 1.00 0.42 H new ATOM 0 HG12 VAL A 225 -2.141 3.172 -2.397 1.00 0.42 H new ATOM 0 HG13 VAL A 225 -1.414 4.732 -2.850 1.00 0.42 H new ATOM 0 HG21 VAL A 225 -3.965 5.681 -4.389 1.00 0.80 H new ATOM 0 HG22 VAL A 225 -2.337 5.879 -5.080 1.00 0.80 H new ATOM 0 HG23 VAL A 225 -3.583 4.985 -5.982 1.00 0.80 H new ATOM 685 N ARG A 226 -0.343 5.161 -4.787 1.00 0.16 N ATOM 686 CA ARG A 226 0.828 5.967 -4.541 1.00 0.17 C ATOM 687 C ARG A 226 0.842 6.386 -3.086 1.00 0.17 C ATOM 688 O ARG A 226 -0.184 6.347 -2.403 1.00 0.21 O ATOM 689 CB ARG A 226 0.852 7.199 -5.439 1.00 0.25 C ATOM 690 CG ARG A 226 1.784 7.064 -6.628 1.00 1.12 C ATOM 691 CD ARG A 226 2.175 8.425 -7.167 1.00 1.33 C ATOM 692 NE ARG A 226 3.177 8.326 -8.225 1.00 2.01 N ATOM 693 CZ ARG A 226 4.290 9.059 -8.272 1.00 2.64 C ATOM 694 NH1 ARG A 226 4.547 9.954 -7.324 1.00 2.71 N ATOM 695 NH2 ARG A 226 5.145 8.897 -9.273 1.00 3.53 N ATOM 0 H ARG A 226 -1.209 5.697 -4.846 1.00 0.16 H new ATOM 0 HA ARG A 226 1.714 5.374 -4.768 1.00 0.17 H new ATOM 0 HB2 ARG A 226 -0.158 7.396 -5.800 1.00 0.25 H new ATOM 0 HB3 ARG A 226 1.153 8.064 -4.848 1.00 0.25 H new ATOM 0 HG2 ARG A 226 2.678 6.515 -6.333 1.00 1.12 H new ATOM 0 HG3 ARG A 226 1.298 6.484 -7.412 1.00 1.12 H new ATOM 0 HD2 ARG A 226 1.290 8.931 -7.552 1.00 1.33 H new ATOM 0 HD3 ARG A 226 2.565 9.039 -6.355 1.00 1.33 H new ATOM 0 HE ARG A 226 3.015 7.654 -8.975 1.00 2.01 H new ATOM 0 HH11 ARG A 226 3.891 10.084 -6.554 1.00 2.71 H new ATOM 0 HH12 ARG A 226 5.400 10.511 -7.366 1.00 2.71 H new ATOM 0 HH21 ARG A 226 4.950 8.213 -10.004 1.00 3.53 H new ATOM 0 HH22 ARG A 226 5.997 9.456 -9.311 1.00 3.53 H new ATOM 709 N ALA A 227 2.003 6.804 -2.625 1.00 0.17 N ATOM 710 CA ALA A 227 2.238 7.029 -1.211 1.00 0.20 C ATOM 711 C ALA A 227 1.449 8.200 -0.670 1.00 0.23 C ATOM 712 O ALA A 227 1.293 8.354 0.540 1.00 0.30 O ATOM 713 CB ALA A 227 3.695 7.271 -0.978 1.00 0.25 C ATOM 0 H ALA A 227 2.810 6.997 -3.218 1.00 0.17 H new ATOM 0 HA ALA A 227 1.905 6.135 -0.684 1.00 0.20 H new ATOM 0 HB1 ALA A 227 3.870 7.440 0.084 1.00 0.25 H new ATOM 0 HB2 ALA A 227 4.265 6.402 -1.306 1.00 0.25 H new ATOM 0 HB3 ALA A 227 4.013 8.148 -1.542 1.00 0.25 H new ATOM 719 N GLU A 228 0.955 9.023 -1.563 1.00 0.25 N ATOM 720 CA GLU A 228 0.223 10.197 -1.162 1.00 0.31 C ATOM 721 C GLU A 228 -1.260 9.947 -1.304 1.00 0.37 C ATOM 722 O GLU A 228 -2.061 10.855 -1.526 1.00 0.47 O ATOM 723 CB GLU A 228 0.678 11.405 -1.967 1.00 0.37 C ATOM 724 CG GLU A 228 0.218 12.735 -1.397 1.00 1.18 C ATOM 725 CD GLU A 228 0.704 12.949 0.020 1.00 1.95 C ATOM 726 OE1 GLU A 228 1.840 13.446 0.196 1.00 2.30 O ATOM 727 OE2 GLU A 228 -0.046 12.628 0.963 1.00 2.57 O ATOM 0 H GLU A 228 1.047 8.901 -2.571 1.00 0.25 H new ATOM 0 HA GLU A 228 0.426 10.414 -0.113 1.00 0.31 H new ATOM 0 HB2 GLU A 228 1.767 11.402 -2.023 1.00 0.37 H new ATOM 0 HB3 GLU A 228 0.306 11.310 -2.987 1.00 0.37 H new ATOM 0 HG2 GLU A 228 0.581 13.545 -2.030 1.00 1.18 H new ATOM 0 HG3 GLU A 228 -0.871 12.779 -1.416 1.00 1.18 H new ATOM 734 N HIS A 229 -1.609 8.689 -1.173 1.00 0.36 N ATOM 735 CA HIS A 229 -2.963 8.274 -1.240 1.00 0.44 C ATOM 736 C HIS A 229 -3.199 7.130 -0.254 1.00 0.48 C ATOM 737 O HIS A 229 -4.314 6.927 0.226 1.00 0.59 O ATOM 738 CB HIS A 229 -3.276 7.867 -2.668 1.00 0.47 C ATOM 739 CG HIS A 229 -4.687 7.441 -2.883 1.00 0.86 C ATOM 740 ND1 HIS A 229 -5.307 6.332 -2.471 1.00 0.69 N flip ATOM 741 CD2 HIS A 229 -5.610 8.157 -3.607 1.00 2.03 C flip ATOM 742 CE1 HIS A 229 -6.597 6.371 -2.947 1.00 1.24 C flip ATOM 743 NE2 HIS A 229 -6.750 7.494 -3.631 1.00 2.24 N flip ATOM 0 H HIS A 229 -0.946 7.930 -1.016 1.00 0.36 H new ATOM 0 HA HIS A 229 -3.632 9.088 -0.960 1.00 0.44 H new ATOM 0 HB2 HIS A 229 -3.056 8.705 -3.330 1.00 0.47 H new ATOM 0 HB3 HIS A 229 -2.613 7.051 -2.955 1.00 0.47 H new ATOM 0 HD2 HIS A 229 -5.430 9.111 -4.081 1.00 2.03 H new ATOM 0 HE1 HIS A 229 -7.354 5.616 -2.790 1.00 1.24 H new ATOM 0 HE2 HIS A 229 -7.605 7.796 -4.098 1.00 2.24 H new ATOM 752 N LEU A 230 -2.138 6.395 0.067 1.00 0.43 N ATOM 753 CA LEU A 230 -2.242 5.254 0.924 1.00 0.50 C ATOM 754 C LEU A 230 -2.053 5.639 2.382 1.00 0.49 C ATOM 755 O LEU A 230 -1.671 6.768 2.697 1.00 0.53 O ATOM 756 CB LEU A 230 -1.225 4.215 0.474 1.00 0.57 C ATOM 757 CG LEU A 230 0.155 4.767 0.151 1.00 0.34 C ATOM 758 CD1 LEU A 230 0.762 5.324 1.404 1.00 0.80 C ATOM 759 CD2 LEU A 230 1.048 3.706 -0.460 1.00 0.46 C ATOM 0 H LEU A 230 -1.193 6.585 -0.266 1.00 0.43 H new ATOM 0 HA LEU A 230 -3.243 4.828 0.849 1.00 0.50 H new ATOM 0 HB2 LEU A 230 -1.125 3.463 1.257 1.00 0.57 H new ATOM 0 HB3 LEU A 230 -1.613 3.707 -0.409 1.00 0.57 H new ATOM 0 HG LEU A 230 0.055 5.561 -0.589 1.00 0.34 H new ATOM 0 HD11 LEU A 230 1.752 5.722 1.183 1.00 0.80 H new ATOM 0 HD12 LEU A 230 0.128 6.122 1.792 1.00 0.80 H new ATOM 0 HD13 LEU A 230 0.847 4.533 2.150 1.00 0.80 H new ATOM 0 HD21 LEU A 230 2.026 4.135 -0.678 1.00 0.46 H new ATOM 0 HD22 LEU A 230 1.163 2.879 0.241 1.00 0.46 H new ATOM 0 HD23 LEU A 230 0.599 3.340 -1.383 1.00 0.46 H new ATOM 771 N VAL A 231 -2.326 4.695 3.257 1.00 0.50 N ATOM 772 CA VAL A 231 -2.214 4.922 4.690 1.00 0.58 C ATOM 773 C VAL A 231 -1.568 3.750 5.445 1.00 0.59 C ATOM 774 O VAL A 231 -2.247 2.934 6.072 1.00 0.76 O ATOM 775 CB VAL A 231 -3.590 5.250 5.300 1.00 0.70 C ATOM 776 CG1 VAL A 231 -4.050 6.612 4.831 1.00 0.88 C ATOM 777 CG2 VAL A 231 -4.607 4.204 4.902 1.00 0.82 C ATOM 0 H VAL A 231 -2.630 3.755 3.003 1.00 0.50 H new ATOM 0 HA VAL A 231 -1.548 5.777 4.808 1.00 0.58 H new ATOM 0 HB VAL A 231 -3.496 5.254 6.386 1.00 0.70 H new ATOM 0 HG11 VAL A 231 -5.024 6.837 5.266 1.00 0.88 H new ATOM 0 HG12 VAL A 231 -3.329 7.367 5.144 1.00 0.88 H new ATOM 0 HG13 VAL A 231 -4.129 6.615 3.744 1.00 0.88 H new ATOM 0 HG21 VAL A 231 -5.574 4.451 5.341 1.00 0.82 H new ATOM 0 HG22 VAL A 231 -4.698 4.179 3.816 1.00 0.82 H new ATOM 0 HG23 VAL A 231 -4.284 3.227 5.261 1.00 0.82 H new ATOM 787 N PHE A 232 -0.249 3.657 5.349 1.00 0.49 N ATOM 788 CA PHE A 232 0.527 2.841 6.254 1.00 0.47 C ATOM 789 C PHE A 232 0.446 3.413 7.665 1.00 0.58 C ATOM 790 O PHE A 232 -0.179 2.776 8.534 1.00 1.30 O ATOM 791 CB PHE A 232 2.002 2.743 5.822 1.00 0.46 C ATOM 792 CG PHE A 232 2.516 3.797 4.858 1.00 0.38 C ATOM 793 CD1 PHE A 232 2.093 5.120 4.926 1.00 0.58 C ATOM 794 CD2 PHE A 232 3.452 3.455 3.887 1.00 0.26 C ATOM 795 CE1 PHE A 232 2.586 6.070 4.052 1.00 0.57 C ATOM 796 CE2 PHE A 232 3.941 4.403 3.015 1.00 0.30 C ATOM 797 CZ PHE A 232 3.512 5.710 3.096 1.00 0.37 C ATOM 798 OXT PHE A 232 0.981 4.520 7.890 1.00 1.23 O ATOM 0 H PHE A 232 0.304 4.144 4.644 1.00 0.49 H new ATOM 0 HA PHE A 232 0.106 1.836 6.233 1.00 0.47 H new ATOM 0 HB2 PHE A 232 2.619 2.777 6.720 1.00 0.46 H new ATOM 0 HB3 PHE A 232 2.156 1.765 5.366 1.00 0.46 H new ATOM 0 HD1 PHE A 232 1.369 5.409 5.673 1.00 0.58 H new ATOM 0 HD2 PHE A 232 3.799 2.435 3.816 1.00 0.26 H new ATOM 0 HE1 PHE A 232 2.246 7.093 4.118 1.00 0.57 H new ATOM 0 HE2 PHE A 232 4.664 4.120 2.264 1.00 0.30 H new ATOM 0 HZ PHE A 232 3.900 6.451 2.412 1.00 0.37 H new TER 808 PHE A 232