USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=12 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 Set 1.1: A 216 GLN : amide:sc= -1.31 X(o=-1.9,f=-1.6) USER MOD Set 1.2: A 222 SER OG : rot 180:sc= -0.542 USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 160:sc= -0.205! USER MOD Single : A 187 THR OG1 : rot 67:sc= -2.58! USER MOD Single : A 190 GLN :FLIP amide:sc= -1.68 F(o=-3.2,f=-1.7) 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= -0.484 X(o=-0.48,f=0) USER MOD Single : A 199 ASN : amide:sc= 0.842 K(o=0.84,f=-0.032) USER MOD Single : A 201 MET CE :methyl 150:sc= -0.0693 (180deg=-0.538) USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 209 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 210 LYS NZ :NH3+ 168:sc=-0.00268 (180deg=-0.169) USER MOD Single : A 218 ASN :FLIP amide:sc= 0.131 F(o=-0.82,f=0.13) USER MOD Single : A 219 SER OG : rot 180:sc= 0 USER MOD Single : A 221 MET CE :methyl 151:sc= -0.229 (180deg=-1.29!) USER MOD Single : A 229 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 16.252 -2.856 8.267 1.00 4.65 N ATOM 2 CA VAL A 180 14.998 -2.549 7.544 1.00 3.82 C ATOM 3 C VAL A 180 14.555 -1.107 7.795 1.00 2.57 C ATOM 4 O VAL A 180 14.130 -0.747 8.892 1.00 2.89 O ATOM 5 CB VAL A 180 13.866 -3.535 7.931 1.00 4.73 C ATOM 6 CG1 VAL A 180 13.693 -3.621 9.441 1.00 5.32 C ATOM 7 CG2 VAL A 180 12.555 -3.144 7.261 1.00 5.61 C ATOM 0 HA VAL A 180 15.201 -2.666 6.480 1.00 3.82 H new ATOM 0 HB VAL A 180 14.155 -4.523 7.573 1.00 4.73 H new ATOM 0 HG11 VAL A 180 12.891 -4.321 9.676 1.00 5.32 H new ATOM 0 HG12 VAL A 180 14.622 -3.967 9.894 1.00 5.32 H new ATOM 0 HG13 VAL A 180 13.442 -2.636 9.835 1.00 5.32 H new ATOM 0 HG21 VAL A 180 11.775 -3.850 7.547 1.00 5.61 H new ATOM 0 HG22 VAL A 180 12.270 -2.141 7.577 1.00 5.61 H new ATOM 0 HG23 VAL A 180 12.680 -3.161 6.178 1.00 5.61 H new ATOM 19 N SER A 181 14.690 -0.275 6.775 1.00 1.75 N ATOM 20 CA SER A 181 14.215 1.089 6.829 1.00 1.16 C ATOM 21 C SER A 181 13.163 1.314 5.750 1.00 1.03 C ATOM 22 O SER A 181 12.865 2.452 5.384 1.00 1.99 O ATOM 23 CB SER A 181 15.387 2.046 6.642 1.00 2.05 C ATOM 24 OG SER A 181 16.289 1.972 7.736 1.00 2.76 O ATOM 0 H SER A 181 15.131 -0.529 5.891 1.00 1.75 H new ATOM 0 HA SER A 181 13.759 1.277 7.801 1.00 1.16 H new ATOM 0 HB2 SER A 181 15.912 1.806 5.717 1.00 2.05 H new ATOM 0 HB3 SER A 181 15.015 3.066 6.542 1.00 2.05 H new ATOM 0 HG SER A 181 17.032 2.594 7.590 1.00 2.76 H new ATOM 30 N ASP A 182 12.621 0.201 5.250 1.00 0.65 N ATOM 31 CA ASP A 182 11.621 0.189 4.191 1.00 0.42 C ATOM 32 C ASP A 182 12.245 0.513 2.847 1.00 0.36 C ATOM 33 O ASP A 182 13.268 1.196 2.769 1.00 0.46 O ATOM 34 CB ASP A 182 10.447 1.133 4.471 1.00 0.46 C ATOM 35 CG ASP A 182 9.656 0.735 5.700 1.00 1.14 C ATOM 36 OD1 ASP A 182 9.720 1.464 6.716 1.00 1.26 O ATOM 37 OD2 ASP A 182 8.977 -0.314 5.666 1.00 1.83 O ATOM 0 H ASP A 182 12.872 -0.731 5.579 1.00 0.65 H new ATOM 0 HA ASP A 182 11.220 -0.824 4.162 1.00 0.42 H new ATOM 0 HB2 ASP A 182 10.825 2.147 4.600 1.00 0.46 H new ATOM 0 HB3 ASP A 182 9.784 1.147 3.606 1.00 0.46 H new ATOM 42 N ILE A 183 11.631 0.019 1.792 1.00 0.30 N ATOM 43 CA ILE A 183 12.124 0.242 0.459 1.00 0.32 C ATOM 44 C ILE A 183 11.842 1.670 0.035 1.00 0.33 C ATOM 45 O ILE A 183 12.748 2.493 -0.099 1.00 0.50 O ATOM 46 CB ILE A 183 11.454 -0.715 -0.533 1.00 0.31 C ATOM 47 CG1 ILE A 183 11.588 -2.163 -0.062 1.00 0.33 C ATOM 48 CG2 ILE A 183 12.058 -0.541 -1.905 1.00 0.35 C ATOM 49 CD1 ILE A 183 10.935 -3.165 -0.990 1.00 0.43 C ATOM 0 H ILE A 183 10.782 -0.544 1.839 1.00 0.30 H new ATOM 0 HA ILE A 183 13.199 0.061 0.459 1.00 0.32 H new ATOM 0 HB ILE A 183 10.392 -0.477 -0.586 1.00 0.31 H new ATOM 0 HG12 ILE A 183 12.646 -2.408 0.037 1.00 0.33 H new ATOM 0 HG13 ILE A 183 11.145 -2.256 0.930 1.00 0.33 H new ATOM 0 HG21 ILE A 183 11.576 -1.225 -2.604 1.00 0.35 H new ATOM 0 HG22 ILE A 183 11.909 0.485 -2.241 1.00 0.35 H new ATOM 0 HG23 ILE A 183 13.125 -0.758 -1.863 1.00 0.35 H new ATOM 0 HD11 ILE A 183 11.070 -4.171 -0.592 1.00 0.43 H new ATOM 0 HD12 ILE A 183 9.870 -2.946 -1.070 1.00 0.43 H new ATOM 0 HD13 ILE A 183 11.394 -3.100 -1.977 1.00 0.43 H new ATOM 61 N SER A 184 10.568 1.958 -0.150 1.00 0.21 N ATOM 62 CA SER A 184 10.126 3.227 -0.627 1.00 0.25 C ATOM 63 C SER A 184 9.749 4.134 0.529 1.00 0.22 C ATOM 64 O SER A 184 10.510 5.001 0.963 1.00 0.28 O ATOM 65 CB SER A 184 8.930 2.952 -1.527 1.00 0.35 C ATOM 66 OG SER A 184 7.834 2.384 -0.820 1.00 1.55 O ATOM 0 H SER A 184 9.811 1.299 0.033 1.00 0.21 H new ATOM 0 HA SER A 184 10.914 3.741 -1.177 1.00 0.25 H new ATOM 0 HB2 SER A 184 8.612 3.883 -1.997 1.00 0.35 H new ATOM 0 HB3 SER A 184 9.230 2.277 -2.328 1.00 0.35 H new ATOM 0 HG SER A 184 7.009 2.519 -1.332 1.00 1.55 H new ATOM 72 N ALA A 185 8.565 3.893 1.003 1.00 0.19 N ATOM 73 CA ALA A 185 8.018 4.502 2.165 1.00 0.18 C ATOM 74 C ALA A 185 7.601 3.351 3.051 1.00 0.16 C ATOM 75 O ALA A 185 7.123 3.522 4.175 1.00 0.20 O ATOM 76 CB ALA A 185 6.834 5.367 1.753 1.00 0.22 C ATOM 0 H ALA A 185 7.926 3.231 0.563 1.00 0.19 H new ATOM 0 HA ALA A 185 8.717 5.153 2.690 1.00 0.18 H new ATOM 0 HB1 ALA A 185 6.405 5.840 2.636 1.00 0.22 H new ATOM 0 HB2 ALA A 185 7.170 6.135 1.056 1.00 0.22 H new ATOM 0 HB3 ALA A 185 6.079 4.745 1.272 1.00 0.22 H new ATOM 82 N LEU A 186 7.810 2.155 2.493 1.00 0.14 N ATOM 83 CA LEU A 186 7.377 0.922 3.092 1.00 0.12 C ATOM 84 C LEU A 186 8.133 -0.236 2.463 1.00 0.11 C ATOM 85 O LEU A 186 8.930 -0.044 1.544 1.00 0.12 O ATOM 86 CB LEU A 186 5.926 0.765 2.820 1.00 0.12 C ATOM 87 CG LEU A 186 5.600 0.845 1.372 1.00 0.10 C ATOM 88 CD1 LEU A 186 4.679 -0.266 1.061 1.00 0.10 C ATOM 89 CD2 LEU A 186 4.994 2.185 1.064 1.00 0.14 C ATOM 0 H LEU A 186 8.292 2.031 1.602 1.00 0.14 H new ATOM 0 HA LEU A 186 7.566 0.933 4.165 1.00 0.12 H new ATOM 0 HB2 LEU A 186 5.589 -0.195 3.211 1.00 0.12 H new ATOM 0 HB3 LEU A 186 5.375 1.538 3.355 1.00 0.12 H new ATOM 0 HG LEU A 186 6.493 0.751 0.754 1.00 0.10 H new ATOM 0 HD11 LEU A 186 4.418 -0.237 0.003 1.00 0.10 H new ATOM 0 HD12 LEU A 186 5.164 -1.215 1.290 1.00 0.10 H new ATOM 0 HD13 LEU A 186 3.774 -0.167 1.660 1.00 0.10 H new ATOM 0 HD21 LEU A 186 4.756 2.241 0.002 1.00 0.14 H new ATOM 0 HD22 LEU A 186 4.083 2.315 1.648 1.00 0.14 H new ATOM 0 HD23 LEU A 186 5.703 2.972 1.319 1.00 0.14 H new ATOM 101 N THR A 187 7.866 -1.419 2.953 1.00 0.10 N ATOM 102 CA THR A 187 8.484 -2.636 2.446 1.00 0.09 C ATOM 103 C THR A 187 7.445 -3.637 1.945 1.00 0.06 C ATOM 104 O THR A 187 6.246 -3.432 2.067 1.00 0.06 O ATOM 105 CB THR A 187 9.349 -3.316 3.519 1.00 0.13 C ATOM 106 OG1 THR A 187 10.108 -2.341 4.241 1.00 0.20 O ATOM 107 CG2 THR A 187 10.290 -4.316 2.875 1.00 0.12 C ATOM 0 H THR A 187 7.211 -1.575 3.719 1.00 0.10 H new ATOM 0 HA THR A 187 9.114 -2.331 1.611 1.00 0.09 H new ATOM 0 HB THR A 187 8.689 -3.837 4.213 1.00 0.13 H new ATOM 0 HG1 THR A 187 9.502 -1.777 4.766 1.00 0.20 H new ATOM 0 HG21 THR A 187 10.898 -4.792 3.645 1.00 0.12 H new ATOM 0 HG22 THR A 187 9.710 -5.075 2.350 1.00 0.12 H new ATOM 0 HG23 THR A 187 10.939 -3.801 2.167 1.00 0.12 H new ATOM 115 N VAL A 188 7.941 -4.701 1.351 1.00 0.06 N ATOM 116 CA VAL A 188 7.134 -5.781 0.858 1.00 0.05 C ATOM 117 C VAL A 188 6.815 -6.714 1.994 1.00 0.06 C ATOM 118 O VAL A 188 7.688 -7.124 2.758 1.00 0.10 O ATOM 119 CB VAL A 188 7.840 -6.546 -0.276 1.00 0.06 C ATOM 120 CG1 VAL A 188 6.930 -7.613 -0.862 1.00 0.08 C ATOM 121 CG2 VAL A 188 8.317 -5.584 -1.357 1.00 0.08 C ATOM 0 H VAL A 188 8.940 -4.836 1.197 1.00 0.06 H new ATOM 0 HA VAL A 188 6.214 -5.366 0.446 1.00 0.05 H new ATOM 0 HB VAL A 188 8.713 -7.046 0.144 1.00 0.06 H new ATOM 0 HG11 VAL A 188 7.453 -8.139 -1.661 1.00 0.08 H new ATOM 0 HG12 VAL A 188 6.652 -8.322 -0.082 1.00 0.08 H new ATOM 0 HG13 VAL A 188 6.031 -7.144 -1.263 1.00 0.08 H new ATOM 0 HG21 VAL A 188 8.813 -6.144 -2.149 1.00 0.08 H new ATOM 0 HG22 VAL A 188 7.462 -5.049 -1.771 1.00 0.08 H new ATOM 0 HG23 VAL A 188 9.017 -4.869 -0.925 1.00 0.08 H new ATOM 131 N GLY A 189 5.553 -7.023 2.095 1.00 0.06 N ATOM 132 CA GLY A 189 5.040 -7.711 3.250 1.00 0.08 C ATOM 133 C GLY A 189 4.929 -6.767 4.422 1.00 0.10 C ATOM 134 O GLY A 189 4.776 -7.194 5.566 1.00 0.14 O ATOM 0 H GLY A 189 4.853 -6.808 1.385 1.00 0.06 H new ATOM 0 HA2 GLY A 189 4.062 -8.135 3.023 1.00 0.08 H new ATOM 0 HA3 GLY A 189 5.696 -8.543 3.506 1.00 0.08 H new ATOM 138 N GLN A 190 4.991 -5.468 4.133 1.00 0.08 N ATOM 139 CA GLN A 190 4.925 -4.465 5.190 1.00 0.10 C ATOM 140 C GLN A 190 3.501 -4.331 5.664 1.00 0.13 C ATOM 141 O GLN A 190 3.241 -4.280 6.864 1.00 0.17 O ATOM 142 CB GLN A 190 5.458 -3.139 4.725 1.00 0.13 C ATOM 143 CG GLN A 190 5.549 -2.143 5.865 1.00 0.20 C ATOM 144 CD GLN A 190 4.997 -0.815 5.538 1.00 0.37 C ATOM 145 OE1 GLN A 190 3.882 -0.853 4.882 1.00 0.90 O flip ATOM 146 NE2 GLN A 190 5.515 0.225 5.934 1.00 0.19 N flip ATOM 0 H GLN A 190 5.085 -5.091 3.190 1.00 0.08 H new ATOM 0 HA GLN A 190 5.553 -4.792 6.019 1.00 0.10 H new ATOM 0 HB2 GLN A 190 6.445 -3.278 4.283 1.00 0.13 H new ATOM 0 HB3 GLN A 190 4.811 -2.740 3.943 1.00 0.13 H new ATOM 0 HG2 GLN A 190 5.019 -2.544 6.729 1.00 0.20 H new ATOM 0 HG3 GLN A 190 6.594 -2.031 6.155 1.00 0.20 H new ATOM 0 HE21 GLN A 190 6.396 0.193 6.447 1.00 0.19 H new ATOM 0 HE22 GLN A 190 5.064 1.121 5.750 1.00 0.19 H new ATOM 155 N ALA A 191 2.594 -4.280 4.699 1.00 0.13 N ATOM 156 CA ALA A 191 1.171 -4.273 4.956 1.00 0.15 C ATOM 157 C ALA A 191 0.712 -2.943 5.525 1.00 0.18 C ATOM 158 O ALA A 191 1.298 -2.391 6.457 1.00 0.22 O ATOM 159 CB ALA A 191 0.764 -5.427 5.847 1.00 0.17 C ATOM 0 H ALA A 191 2.833 -4.242 3.708 1.00 0.13 H new ATOM 0 HA ALA A 191 0.668 -4.406 3.998 1.00 0.15 H new ATOM 0 HB1 ALA A 191 -0.312 -5.391 6.020 1.00 0.17 H new ATOM 0 HB2 ALA A 191 1.023 -6.369 5.363 1.00 0.17 H new ATOM 0 HB3 ALA A 191 1.287 -5.353 6.800 1.00 0.17 H new ATOM 165 N LEU A 192 -0.337 -2.442 4.926 1.00 0.18 N ATOM 166 CA LEU A 192 -0.874 -1.132 5.234 1.00 0.21 C ATOM 167 C LEU A 192 -2.362 -1.116 4.941 1.00 0.28 C ATOM 168 O LEU A 192 -3.040 -2.137 5.054 1.00 0.35 O ATOM 169 CB LEU A 192 -0.168 -0.041 4.414 1.00 0.19 C ATOM 170 CG LEU A 192 0.824 -0.515 3.361 1.00 0.14 C ATOM 171 CD1 LEU A 192 0.128 -1.302 2.282 1.00 0.17 C ATOM 172 CD2 LEU A 192 1.570 0.654 2.747 1.00 0.16 C ATOM 0 H LEU A 192 -0.854 -2.936 4.199 1.00 0.18 H new ATOM 0 HA LEU A 192 -0.704 -0.926 6.291 1.00 0.21 H new ATOM 0 HB2 LEU A 192 -0.930 0.560 3.918 1.00 0.19 H new ATOM 0 HB3 LEU A 192 0.357 0.618 5.105 1.00 0.19 H new ATOM 0 HG LEU A 192 1.545 -1.164 3.859 1.00 0.14 H new ATOM 0 HD11 LEU A 192 0.858 -1.629 1.542 1.00 0.17 H new ATOM 0 HD12 LEU A 192 -0.358 -2.173 2.723 1.00 0.17 H new ATOM 0 HD13 LEU A 192 -0.621 -0.674 1.800 1.00 0.17 H new ATOM 0 HD21 LEU A 192 2.271 0.285 1.999 1.00 0.16 H new ATOM 0 HD22 LEU A 192 0.859 1.332 2.275 1.00 0.16 H new ATOM 0 HD23 LEU A 192 2.117 1.186 3.526 1.00 0.16 H new ATOM 184 N LYS A 193 -2.864 0.037 4.554 1.00 0.30 N ATOM 185 CA LYS A 193 -4.263 0.190 4.256 1.00 0.36 C ATOM 186 C LYS A 193 -4.434 0.991 2.982 1.00 0.38 C ATOM 187 O LYS A 193 -3.698 1.949 2.735 1.00 0.50 O ATOM 188 CB LYS A 193 -4.951 0.915 5.392 1.00 0.54 C ATOM 189 CG LYS A 193 -6.178 0.216 5.931 1.00 1.37 C ATOM 190 CD LYS A 193 -6.728 0.943 7.150 1.00 2.35 C ATOM 191 CE LYS A 193 -7.940 0.238 7.733 1.00 3.14 C ATOM 192 NZ LYS A 193 -8.484 0.957 8.917 1.00 3.77 N ATOM 0 H LYS A 193 -2.313 0.888 4.439 1.00 0.30 H new ATOM 0 HA LYS A 193 -4.706 -0.797 4.128 1.00 0.36 H new ATOM 0 HB2 LYS A 193 -4.238 1.049 6.205 1.00 0.54 H new ATOM 0 HB3 LYS A 193 -5.236 1.910 5.051 1.00 0.54 H new ATOM 0 HG2 LYS A 193 -6.943 0.167 5.156 1.00 1.37 H new ATOM 0 HG3 LYS A 193 -5.928 -0.811 6.197 1.00 1.37 H new ATOM 0 HD2 LYS A 193 -5.950 1.016 7.910 1.00 2.35 H new ATOM 0 HD3 LYS A 193 -6.999 1.962 6.873 1.00 2.35 H new ATOM 0 HE2 LYS A 193 -8.714 0.157 6.970 1.00 3.14 H new ATOM 0 HE3 LYS A 193 -7.666 -0.778 8.019 1.00 3.14 H new ATOM 0 HZ1 LYS A 193 -9.310 0.444 9.285 1.00 3.77 H new ATOM 0 HZ2 LYS A 193 -7.754 1.013 9.655 1.00 3.77 H new ATOM 0 HZ3 LYS A 193 -8.769 1.918 8.639 1.00 3.77 H new ATOM 206 N VAL A 194 -5.395 0.595 2.174 1.00 0.35 N ATOM 207 CA VAL A 194 -5.720 1.324 0.989 1.00 0.50 C ATOM 208 C VAL A 194 -7.201 1.659 0.976 1.00 0.65 C ATOM 209 O VAL A 194 -8.017 0.935 1.521 1.00 1.66 O ATOM 210 CB VAL A 194 -5.367 0.516 -0.266 1.00 0.55 C ATOM 211 CG1 VAL A 194 -6.313 -0.643 -0.400 1.00 0.59 C ATOM 212 CG2 VAL A 194 -5.434 1.378 -1.501 1.00 0.81 C ATOM 0 H VAL A 194 -5.964 -0.238 2.328 1.00 0.35 H new ATOM 0 HA VAL A 194 -5.136 2.245 0.986 1.00 0.50 H new ATOM 0 HB VAL A 194 -4.346 0.147 -0.164 1.00 0.55 H new ATOM 0 HG11 VAL A 194 -6.062 -1.217 -1.292 1.00 0.59 H new ATOM 0 HG12 VAL A 194 -6.231 -1.283 0.478 1.00 0.59 H new ATOM 0 HG13 VAL A 194 -7.334 -0.271 -0.484 1.00 0.59 H new ATOM 0 HG21 VAL A 194 -5.179 0.780 -2.376 1.00 0.81 H new ATOM 0 HG22 VAL A 194 -6.443 1.775 -1.614 1.00 0.81 H new ATOM 0 HG23 VAL A 194 -4.728 2.203 -1.407 1.00 0.81 H new ATOM 222 N LYS A 195 -7.504 2.759 0.344 1.00 0.72 N ATOM 223 CA LYS A 195 -8.839 3.304 0.198 1.00 0.76 C ATOM 224 C LYS A 195 -9.672 2.532 -0.801 1.00 0.75 C ATOM 225 O LYS A 195 -10.357 3.089 -1.655 1.00 0.90 O ATOM 226 CB LYS A 195 -8.694 4.727 -0.271 1.00 0.99 C ATOM 227 CG LYS A 195 -7.610 4.872 -1.324 1.00 1.34 C ATOM 228 CD LYS A 195 -8.116 4.689 -2.747 1.00 1.95 C ATOM 229 CE LYS A 195 -7.770 3.299 -3.268 1.00 2.62 C ATOM 230 NZ LYS A 195 -8.273 3.077 -4.646 1.00 3.46 N ATOM 0 H LYS A 195 -6.794 3.335 -0.109 1.00 0.72 H new ATOM 0 HA LYS A 195 -9.353 3.239 1.157 1.00 0.76 H new ATOM 0 HB2 LYS A 195 -9.644 5.073 -0.679 1.00 0.99 H new ATOM 0 HB3 LYS A 195 -8.461 5.367 0.580 1.00 0.99 H new ATOM 0 HG2 LYS A 195 -7.156 5.859 -1.233 1.00 1.34 H new ATOM 0 HG3 LYS A 195 -6.826 4.141 -1.129 1.00 1.34 H new ATOM 0 HD2 LYS A 195 -9.196 4.835 -2.776 1.00 1.95 H new ATOM 0 HD3 LYS A 195 -7.675 5.446 -3.395 1.00 1.95 H new ATOM 0 HE2 LYS A 195 -6.688 3.165 -3.252 1.00 2.62 H new ATOM 0 HE3 LYS A 195 -8.194 2.547 -2.602 1.00 2.62 H new ATOM 0 HZ1 LYS A 195 -8.015 2.120 -4.960 1.00 3.46 H new ATOM 0 HZ2 LYS A 195 -9.308 3.178 -4.658 1.00 3.46 H new ATOM 0 HZ3 LYS A 195 -7.849 3.777 -5.287 1.00 3.46 H new ATOM 244 N ALA A 196 -9.634 1.266 -0.624 1.00 0.78 N ATOM 245 CA ALA A 196 -10.238 0.321 -1.551 1.00 0.90 C ATOM 246 C ALA A 196 -11.757 0.413 -1.502 1.00 1.13 C ATOM 247 O ALA A 196 -12.397 -0.070 -0.566 1.00 1.32 O ATOM 248 CB ALA A 196 -9.755 -1.085 -1.252 1.00 0.98 C ATOM 0 H ALA A 196 -9.180 0.825 0.176 1.00 0.78 H new ATOM 0 HA ALA A 196 -9.929 0.575 -2.565 1.00 0.90 H new ATOM 0 HB1 ALA A 196 -10.213 -1.784 -1.952 1.00 0.98 H new ATOM 0 HB2 ALA A 196 -8.671 -1.127 -1.355 1.00 0.98 H new ATOM 0 HB3 ALA A 196 -10.033 -1.356 -0.234 1.00 0.98 H new ATOM 254 N GLY A 197 -12.323 1.053 -2.515 1.00 1.33 N ATOM 255 CA GLY A 197 -13.745 1.309 -2.532 1.00 1.64 C ATOM 256 C GLY A 197 -14.078 2.599 -1.814 1.00 1.67 C ATOM 257 O GLY A 197 -15.132 2.708 -1.188 1.00 2.12 O ATOM 0 H GLY A 197 -11.817 1.401 -3.330 1.00 1.33 H new ATOM 0 HA2 GLY A 197 -14.095 1.363 -3.563 1.00 1.64 H new ATOM 0 HA3 GLY A 197 -14.272 0.480 -2.059 1.00 1.64 H new ATOM 261 N GLN A 198 -13.150 3.561 -1.889 1.00 1.62 N ATOM 262 CA GLN A 198 -13.287 4.870 -1.240 1.00 1.70 C ATOM 263 C GLN A 198 -13.134 4.753 0.284 1.00 1.30 C ATOM 264 O GLN A 198 -13.360 5.699 1.040 1.00 1.43 O ATOM 265 CB GLN A 198 -14.595 5.531 -1.634 1.00 2.07 C ATOM 266 CG GLN A 198 -14.743 6.927 -1.073 1.00 2.41 C ATOM 267 CD GLN A 198 -15.832 7.742 -1.745 1.00 3.03 C ATOM 268 OE1 GLN A 198 -15.748 8.968 -1.812 1.00 3.46 O ATOM 269 NE2 GLN A 198 -16.861 7.077 -2.238 1.00 3.45 N ATOM 0 H GLN A 198 -12.277 3.452 -2.405 1.00 1.62 H new ATOM 0 HA GLN A 198 -12.480 5.513 -1.590 1.00 1.70 H new ATOM 0 HB2 GLN A 198 -14.662 5.573 -2.721 1.00 2.07 H new ATOM 0 HB3 GLN A 198 -15.426 4.916 -1.287 1.00 2.07 H new ATOM 0 HG2 GLN A 198 -14.958 6.860 -0.006 1.00 2.41 H new ATOM 0 HG3 GLN A 198 -13.793 7.452 -1.174 1.00 2.41 H new ATOM 0 HE21 GLN A 198 -16.894 6.060 -2.163 1.00 3.45 H new ATOM 0 HE22 GLN A 198 -17.622 7.580 -2.694 1.00 3.45 H new ATOM 278 N ASN A 199 -12.694 3.590 0.725 1.00 0.97 N ATOM 279 CA ASN A 199 -12.566 3.302 2.148 1.00 0.85 C ATOM 280 C ASN A 199 -11.232 2.678 2.456 1.00 0.71 C ATOM 281 O ASN A 199 -10.832 1.725 1.797 1.00 0.88 O ATOM 282 CB ASN A 199 -13.626 2.327 2.584 1.00 1.11 C ATOM 283 CG ASN A 199 -15.023 2.921 2.606 1.00 1.42 C ATOM 284 OD1 ASN A 199 -15.463 3.448 3.630 1.00 2.03 O ATOM 285 ND2 ASN A 199 -15.727 2.854 1.489 1.00 1.74 N ATOM 0 H ASN A 199 -12.416 2.821 0.115 1.00 0.97 H new ATOM 0 HA ASN A 199 -12.669 4.250 2.676 1.00 0.85 H new ATOM 0 HB2 ASN A 199 -13.616 1.468 1.914 1.00 1.11 H new ATOM 0 HB3 ASN A 199 -13.381 1.958 3.580 1.00 1.11 H new ATOM 0 HD21 ASN A 199 -16.668 3.246 1.455 1.00 1.74 H new ATOM 0 HD22 ASN A 199 -15.329 2.410 0.661 1.00 1.74 H new ATOM 292 N ALA A 200 -10.556 3.188 3.466 1.00 0.80 N ATOM 293 CA ALA A 200 -9.327 2.581 3.911 1.00 0.71 C ATOM 294 C ALA A 200 -9.627 1.191 4.423 1.00 0.69 C ATOM 295 O ALA A 200 -10.343 0.994 5.406 1.00 0.97 O ATOM 296 CB ALA A 200 -8.624 3.417 4.951 1.00 0.87 C ATOM 0 H ALA A 200 -10.838 4.017 3.989 1.00 0.80 H new ATOM 0 HA ALA A 200 -8.641 2.516 3.067 1.00 0.71 H new ATOM 0 HB1 ALA A 200 -7.703 2.920 5.256 1.00 0.87 H new ATOM 0 HB2 ALA A 200 -8.387 4.395 4.532 1.00 0.87 H new ATOM 0 HB3 ALA A 200 -9.273 3.542 5.818 1.00 0.87 H new ATOM 302 N MET A 201 -9.064 0.251 3.727 1.00 0.59 N ATOM 303 CA MET A 201 -9.455 -1.139 3.817 1.00 0.57 C ATOM 304 C MET A 201 -8.437 -1.926 4.607 1.00 0.53 C ATOM 305 O MET A 201 -8.626 -2.212 5.788 1.00 0.87 O ATOM 306 CB MET A 201 -9.574 -1.695 2.388 1.00 0.55 C ATOM 307 CG MET A 201 -9.880 -3.179 2.301 1.00 0.76 C ATOM 308 SD MET A 201 -11.373 -3.641 3.199 1.00 1.65 S ATOM 309 CE MET A 201 -12.581 -2.557 2.442 1.00 1.59 C ATOM 0 H MET A 201 -8.306 0.422 3.067 1.00 0.59 H new ATOM 0 HA MET A 201 -10.411 -1.225 4.333 1.00 0.57 H new ATOM 0 HB2 MET A 201 -10.357 -1.146 1.865 1.00 0.55 H new ATOM 0 HB3 MET A 201 -8.641 -1.500 1.859 1.00 0.55 H new ATOM 0 HG2 MET A 201 -9.990 -3.461 1.254 1.00 0.76 H new ATOM 0 HG3 MET A 201 -9.035 -3.743 2.696 1.00 0.76 H new ATOM 0 HE1 MET A 201 -13.561 -3.034 2.461 1.00 1.59 H new ATOM 0 HE2 MET A 201 -12.624 -1.618 2.994 1.00 1.59 H new ATOM 0 HE3 MET A 201 -12.294 -2.358 1.409 1.00 1.59 H new ATOM 319 N ASP A 202 -7.348 -2.214 3.916 1.00 0.28 N ATOM 320 CA ASP A 202 -6.213 -2.985 4.414 1.00 0.23 C ATOM 321 C ASP A 202 -5.591 -3.657 3.217 1.00 0.31 C ATOM 322 O ASP A 202 -6.314 -4.083 2.309 1.00 0.65 O ATOM 323 CB ASP A 202 -6.598 -4.078 5.415 1.00 0.36 C ATOM 324 CG ASP A 202 -5.476 -4.408 6.385 1.00 1.15 C ATOM 325 OD1 ASP A 202 -5.625 -4.114 7.589 1.00 1.68 O ATOM 326 OD2 ASP A 202 -4.440 -4.957 5.955 1.00 1.86 O ATOM 0 H ASP A 202 -7.221 -1.906 2.952 1.00 0.28 H new ATOM 0 HA ASP A 202 -5.545 -2.300 4.936 1.00 0.23 H new ATOM 0 HB2 ASP A 202 -7.475 -3.758 5.977 1.00 0.36 H new ATOM 0 HB3 ASP A 202 -6.879 -4.980 4.871 1.00 0.36 H new ATOM 331 N ALA A 203 -4.282 -3.723 3.170 1.00 0.10 N ATOM 332 CA ALA A 203 -3.626 -4.342 2.057 1.00 0.10 C ATOM 333 C ALA A 203 -2.198 -4.726 2.406 1.00 0.09 C ATOM 334 O ALA A 203 -1.563 -4.077 3.232 1.00 0.14 O ATOM 335 CB ALA A 203 -3.675 -3.374 0.913 1.00 0.15 C ATOM 0 H ALA A 203 -3.658 -3.356 3.888 1.00 0.10 H new ATOM 0 HA ALA A 203 -4.131 -5.269 1.783 1.00 0.10 H new ATOM 0 HB1 ALA A 203 -3.183 -3.812 0.044 1.00 0.15 H new ATOM 0 HB2 ALA A 203 -4.714 -3.152 0.668 1.00 0.15 H new ATOM 0 HB3 ALA A 203 -3.164 -2.453 1.193 1.00 0.15 H new ATOM 341 N THR A 204 -1.682 -5.767 1.773 1.00 0.07 N ATOM 342 CA THR A 204 -0.375 -6.277 2.134 1.00 0.06 C ATOM 343 C THR A 204 0.595 -6.218 0.968 1.00 0.04 C ATOM 344 O THR A 204 0.325 -6.737 -0.094 1.00 0.07 O ATOM 345 CB THR A 204 -0.461 -7.712 2.650 1.00 0.09 C ATOM 346 OG1 THR A 204 -1.069 -7.735 3.948 1.00 0.13 O ATOM 347 CG2 THR A 204 0.927 -8.309 2.697 1.00 0.09 C ATOM 0 H THR A 204 -2.144 -6.269 1.015 1.00 0.07 H new ATOM 0 HA THR A 204 -0.001 -5.634 2.930 1.00 0.06 H new ATOM 0 HB THR A 204 -1.080 -8.306 1.977 1.00 0.09 H new ATOM 0 HG1 THR A 204 -1.121 -8.660 4.269 1.00 0.13 H new ATOM 0 HG21 THR A 204 0.870 -9.333 3.065 1.00 0.09 H new ATOM 0 HG22 THR A 204 1.358 -8.306 1.696 1.00 0.09 H new ATOM 0 HG23 THR A 204 1.555 -7.718 3.364 1.00 0.09 H new ATOM 355 N VAL A 205 1.747 -5.622 1.187 1.00 0.04 N ATOM 356 CA VAL A 205 2.662 -5.334 0.107 1.00 0.04 C ATOM 357 C VAL A 205 3.193 -6.572 -0.598 1.00 0.05 C ATOM 358 O VAL A 205 3.784 -7.450 0.022 1.00 0.07 O ATOM 359 CB VAL A 205 3.809 -4.485 0.597 1.00 0.05 C ATOM 360 CG1 VAL A 205 4.767 -4.222 -0.546 1.00 0.07 C ATOM 361 CG2 VAL A 205 3.248 -3.196 1.172 1.00 0.07 C ATOM 0 H VAL A 205 2.072 -5.327 2.108 1.00 0.04 H new ATOM 0 HA VAL A 205 2.082 -4.785 -0.635 1.00 0.04 H new ATOM 0 HB VAL A 205 4.365 -4.999 1.381 1.00 0.05 H new ATOM 0 HG11 VAL A 205 5.596 -3.609 -0.192 1.00 0.07 H new ATOM 0 HG12 VAL A 205 5.152 -5.169 -0.923 1.00 0.07 H new ATOM 0 HG13 VAL A 205 4.244 -3.698 -1.346 1.00 0.07 H new ATOM 0 HG21 VAL A 205 4.066 -2.571 1.531 1.00 0.07 H new ATOM 0 HG22 VAL A 205 2.696 -2.662 0.398 1.00 0.07 H new ATOM 0 HG23 VAL A 205 2.579 -3.428 2.000 1.00 0.07 H new ATOM 371 N LEU A 206 2.966 -6.609 -1.906 1.00 0.06 N ATOM 372 CA LEU A 206 3.490 -7.667 -2.768 1.00 0.07 C ATOM 373 C LEU A 206 4.705 -7.156 -3.527 1.00 0.07 C ATOM 374 O LEU A 206 5.680 -7.877 -3.730 1.00 0.10 O ATOM 375 CB LEU A 206 2.437 -8.123 -3.785 1.00 0.09 C ATOM 376 CG LEU A 206 1.370 -9.121 -3.309 1.00 0.23 C ATOM 377 CD1 LEU A 206 1.343 -9.259 -1.793 1.00 0.60 C ATOM 378 CD2 LEU A 206 0.014 -8.684 -3.825 1.00 0.51 C ATOM 0 H LEU A 206 2.414 -5.908 -2.400 1.00 0.06 H new ATOM 0 HA LEU A 206 3.763 -8.511 -2.134 1.00 0.07 H new ATOM 0 HB2 LEU A 206 1.924 -7.236 -4.158 1.00 0.09 H new ATOM 0 HB3 LEU A 206 2.959 -8.569 -4.632 1.00 0.09 H new ATOM 0 HG LEU A 206 1.623 -10.103 -3.709 1.00 0.23 H new ATOM 0 HD11 LEU A 206 0.573 -9.975 -1.506 1.00 0.60 H new ATOM 0 HD12 LEU A 206 2.313 -9.610 -1.442 1.00 0.60 H new ATOM 0 HD13 LEU A 206 1.123 -8.291 -1.343 1.00 0.60 H new ATOM 0 HD21 LEU A 206 -0.747 -9.389 -3.490 1.00 0.51 H new ATOM 0 HD22 LEU A 206 -0.218 -7.690 -3.442 1.00 0.51 H new ATOM 0 HD23 LEU A 206 0.030 -8.658 -4.915 1.00 0.51 H new ATOM 390 N GLU A 207 4.629 -5.901 -3.949 1.00 0.07 N ATOM 391 CA GLU A 207 5.665 -5.268 -4.701 1.00 0.10 C ATOM 392 C GLU A 207 5.454 -3.785 -4.505 1.00 0.10 C ATOM 393 O GLU A 207 4.331 -3.360 -4.282 1.00 0.14 O ATOM 394 CB GLU A 207 5.523 -5.638 -6.165 1.00 0.17 C ATOM 395 CG GLU A 207 6.839 -5.835 -6.908 1.00 1.08 C ATOM 396 CD GLU A 207 7.680 -4.579 -6.995 1.00 1.58 C ATOM 397 OE1 GLU A 207 8.431 -4.300 -6.037 1.00 1.96 O ATOM 398 OE2 GLU A 207 7.593 -3.867 -8.019 1.00 2.20 O ATOM 0 H GLU A 207 3.827 -5.298 -3.767 1.00 0.07 H new ATOM 0 HA GLU A 207 6.661 -5.574 -4.380 1.00 0.10 H new ATOM 0 HB2 GLU A 207 4.941 -6.556 -6.238 1.00 0.17 H new ATOM 0 HB3 GLU A 207 4.952 -4.858 -6.668 1.00 0.17 H new ATOM 0 HG2 GLU A 207 7.415 -6.614 -6.409 1.00 1.08 H new ATOM 0 HG3 GLU A 207 6.628 -6.191 -7.916 1.00 1.08 H new ATOM 405 N ILE A 208 6.500 -3.015 -4.546 1.00 0.09 N ATOM 406 CA ILE A 208 6.413 -1.619 -4.187 1.00 0.09 C ATOM 407 C ILE A 208 6.684 -0.688 -5.359 1.00 0.09 C ATOM 408 O ILE A 208 7.264 -1.088 -6.370 1.00 0.15 O ATOM 409 CB ILE A 208 7.392 -1.354 -3.055 1.00 0.10 C ATOM 410 CG1 ILE A 208 7.125 -2.343 -1.948 1.00 0.08 C ATOM 411 CG2 ILE A 208 7.284 0.049 -2.523 1.00 0.11 C ATOM 412 CD1 ILE A 208 7.366 -1.752 -0.600 1.00 0.08 C ATOM 0 H ILE A 208 7.431 -3.326 -4.825 1.00 0.09 H new ATOM 0 HA ILE A 208 5.391 -1.410 -3.869 1.00 0.09 H new ATOM 0 HB ILE A 208 8.404 -1.470 -3.443 1.00 0.10 H new ATOM 0 HG12 ILE A 208 6.094 -2.690 -2.013 1.00 0.08 H new ATOM 0 HG13 ILE A 208 7.764 -3.216 -2.080 1.00 0.08 H new ATOM 0 HG21 ILE A 208 8.004 0.189 -1.716 1.00 0.11 H new ATOM 0 HG22 ILE A 208 7.494 0.759 -3.323 1.00 0.11 H new ATOM 0 HG23 ILE A 208 6.276 0.218 -2.143 1.00 0.11 H new ATOM 0 HD11 ILE A 208 7.161 -2.499 0.167 1.00 0.08 H new ATOM 0 HD12 ILE A 208 8.404 -1.429 -0.524 1.00 0.08 H new ATOM 0 HD13 ILE A 208 6.708 -0.895 -0.456 1.00 0.08 H new ATOM 424 N THR A 209 6.255 0.559 -5.217 1.00 0.07 N ATOM 425 CA THR A 209 6.457 1.549 -6.259 1.00 0.08 C ATOM 426 C THR A 209 7.429 2.620 -5.786 1.00 0.13 C ATOM 427 O THR A 209 8.167 2.409 -4.819 1.00 0.18 O ATOM 428 CB THR A 209 5.127 2.187 -6.720 1.00 0.10 C ATOM 429 OG1 THR A 209 4.584 3.012 -5.700 1.00 0.13 O ATOM 430 CG2 THR A 209 4.102 1.120 -7.086 1.00 0.11 C ATOM 0 H THR A 209 5.766 0.906 -4.391 1.00 0.07 H new ATOM 0 HA THR A 209 6.883 1.036 -7.121 1.00 0.08 H new ATOM 0 HB THR A 209 5.347 2.790 -7.601 1.00 0.10 H new ATOM 0 HG1 THR A 209 3.743 3.408 -6.012 1.00 0.13 H new ATOM 0 HG21 THR A 209 3.177 1.599 -7.406 1.00 0.11 H new ATOM 0 HG22 THR A 209 4.491 0.504 -7.897 1.00 0.11 H new ATOM 0 HG23 THR A 209 3.904 0.493 -6.217 1.00 0.11 H new ATOM 438 N LYS A 210 7.443 3.753 -6.478 1.00 0.20 N ATOM 439 CA LYS A 210 8.318 4.866 -6.134 1.00 0.29 C ATOM 440 C LYS A 210 8.180 5.237 -4.674 1.00 0.25 C ATOM 441 O LYS A 210 9.158 5.567 -4.002 1.00 0.33 O ATOM 442 CB LYS A 210 7.966 6.072 -6.970 1.00 0.42 C ATOM 443 CG LYS A 210 9.014 7.181 -6.951 1.00 1.38 C ATOM 444 CD LYS A 210 10.339 6.728 -7.548 1.00 2.07 C ATOM 445 CE LYS A 210 11.388 7.830 -7.482 1.00 2.86 C ATOM 446 NZ LYS A 210 11.742 8.184 -6.080 1.00 3.82 N ATOM 0 H LYS A 210 6.850 3.925 -7.290 1.00 0.20 H new ATOM 0 HA LYS A 210 9.344 4.555 -6.328 1.00 0.29 H new ATOM 0 HB2 LYS A 210 7.812 5.752 -8.001 1.00 0.42 H new ATOM 0 HB3 LYS A 210 7.018 6.479 -6.618 1.00 0.42 H new ATOM 0 HG2 LYS A 210 8.641 8.041 -7.508 1.00 1.38 H new ATOM 0 HG3 LYS A 210 9.173 7.511 -5.924 1.00 1.38 H new ATOM 0 HD2 LYS A 210 10.699 5.849 -7.013 1.00 2.07 H new ATOM 0 HD3 LYS A 210 10.188 6.429 -8.585 1.00 2.07 H new ATOM 0 HE2 LYS A 210 12.285 7.508 -8.011 1.00 2.86 H new ATOM 0 HE3 LYS A 210 11.015 8.716 -7.996 1.00 2.86 H new ATOM 0 HZ1 LYS A 210 12.593 8.782 -6.077 1.00 3.82 H new ATOM 0 HZ2 LYS A 210 10.953 8.702 -5.643 1.00 3.82 H new ATOM 0 HZ3 LYS A 210 11.928 7.315 -5.539 1.00 3.82 H new ATOM 460 N ASP A 211 6.961 5.159 -4.183 1.00 0.15 N ATOM 461 CA ASP A 211 6.667 5.618 -2.838 1.00 0.14 C ATOM 462 C ASP A 211 5.423 4.915 -2.345 1.00 0.11 C ATOM 463 O ASP A 211 5.228 4.711 -1.149 1.00 0.16 O ATOM 464 CB ASP A 211 6.491 7.138 -2.831 1.00 0.23 C ATOM 465 CG ASP A 211 7.228 7.804 -1.684 1.00 1.05 C ATOM 466 OD1 ASP A 211 8.474 7.830 -1.702 1.00 1.67 O ATOM 467 OD2 ASP A 211 6.560 8.288 -0.745 1.00 1.33 O ATOM 0 H ASP A 211 6.160 4.784 -4.691 1.00 0.15 H new ATOM 0 HA ASP A 211 7.493 5.380 -2.168 1.00 0.14 H new ATOM 0 HB2 ASP A 211 6.851 7.546 -3.775 1.00 0.23 H new ATOM 0 HB3 ASP A 211 5.430 7.377 -2.764 1.00 0.23 H new ATOM 472 N GLY A 212 4.621 4.493 -3.300 1.00 0.10 N ATOM 473 CA GLY A 212 3.439 3.745 -3.014 1.00 0.10 C ATOM 474 C GLY A 212 3.778 2.312 -3.129 1.00 0.09 C ATOM 475 O GLY A 212 4.930 1.926 -2.922 1.00 0.10 O ATOM 0 H GLY A 212 4.780 4.665 -4.293 1.00 0.10 H new ATOM 0 HA2 GLY A 212 3.075 3.973 -2.012 1.00 0.10 H new ATOM 0 HA3 GLY A 212 2.642 4.007 -3.710 1.00 0.10 H new ATOM 479 N VAL A 213 2.818 1.507 -3.474 1.00 0.08 N ATOM 480 CA VAL A 213 3.061 0.120 -3.555 1.00 0.07 C ATOM 481 C VAL A 213 2.172 -0.540 -4.587 1.00 0.07 C ATOM 482 O VAL A 213 1.434 0.118 -5.315 1.00 0.08 O ATOM 483 CB VAL A 213 2.777 -0.522 -2.202 1.00 0.08 C ATOM 484 CG1 VAL A 213 3.822 -1.555 -1.893 1.00 0.09 C ATOM 485 CG2 VAL A 213 2.696 0.509 -1.093 1.00 0.09 C ATOM 0 H VAL A 213 1.867 1.797 -3.701 1.00 0.08 H new ATOM 0 HA VAL A 213 4.103 -0.019 -3.845 1.00 0.07 H new ATOM 0 HB VAL A 213 1.803 -1.008 -2.260 1.00 0.08 H new ATOM 0 HG11 VAL A 213 3.611 -2.008 -0.924 1.00 0.09 H new ATOM 0 HG12 VAL A 213 3.811 -2.325 -2.664 1.00 0.09 H new ATOM 0 HG13 VAL A 213 4.804 -1.082 -1.866 1.00 0.09 H new ATOM 0 HG21 VAL A 213 2.492 0.009 -0.146 1.00 0.09 H new ATOM 0 HG22 VAL A 213 3.643 1.045 -1.024 1.00 0.09 H new ATOM 0 HG23 VAL A 213 1.895 1.215 -1.310 1.00 0.09 H new ATOM 495 N ARG A 214 2.296 -1.839 -4.647 1.00 0.07 N ATOM 496 CA ARG A 214 1.286 -2.710 -5.191 1.00 0.07 C ATOM 497 C ARG A 214 1.040 -3.778 -4.162 1.00 0.09 C ATOM 498 O ARG A 214 1.725 -4.801 -4.105 1.00 0.16 O ATOM 499 CB ARG A 214 1.704 -3.378 -6.488 1.00 0.12 C ATOM 500 CG ARG A 214 0.690 -4.395 -6.983 1.00 1.21 C ATOM 501 CD ARG A 214 1.289 -5.333 -8.020 1.00 1.35 C ATOM 502 NE ARG A 214 0.303 -6.288 -8.528 1.00 1.97 N ATOM 503 CZ ARG A 214 0.593 -7.517 -8.953 1.00 2.58 C ATOM 504 NH1 ARG A 214 1.852 -7.944 -8.977 1.00 2.84 N ATOM 505 NH2 ARG A 214 -0.377 -8.312 -9.381 1.00 3.39 N ATOM 0 H ARG A 214 3.122 -2.334 -4.311 1.00 0.07 H new ATOM 0 HA ARG A 214 0.401 -2.116 -5.417 1.00 0.07 H new ATOM 0 HB2 ARG A 214 1.849 -2.615 -7.253 1.00 0.12 H new ATOM 0 HB3 ARG A 214 2.665 -3.872 -6.343 1.00 0.12 H new ATOM 0 HG2 ARG A 214 0.317 -4.976 -6.140 1.00 1.21 H new ATOM 0 HG3 ARG A 214 -0.165 -3.875 -7.415 1.00 1.21 H new ATOM 0 HD2 ARG A 214 1.689 -4.749 -8.849 1.00 1.35 H new ATOM 0 HD3 ARG A 214 2.125 -5.875 -7.579 1.00 1.35 H new ATOM 0 HE ARG A 214 -0.673 -5.992 -8.559 1.00 1.97 H new ATOM 0 HH11 ARG A 214 2.605 -7.329 -8.668 1.00 2.84 H new ATOM 0 HH12 ARG A 214 2.065 -8.886 -9.304 1.00 2.84 H new ATOM 0 HH21 ARG A 214 -1.342 -7.982 -9.384 1.00 3.39 H new ATOM 0 HH22 ARG A 214 -0.158 -9.253 -9.707 1.00 3.39 H new ATOM 519 N VAL A 215 0.107 -3.503 -3.316 1.00 0.07 N ATOM 520 CA VAL A 215 -0.199 -4.383 -2.212 1.00 0.07 C ATOM 521 C VAL A 215 -1.170 -5.452 -2.619 1.00 0.08 C ATOM 522 O VAL A 215 -1.572 -5.528 -3.767 1.00 0.12 O ATOM 523 CB VAL A 215 -0.840 -3.594 -1.106 1.00 0.08 C ATOM 524 CG1 VAL A 215 0.070 -2.483 -0.655 1.00 0.10 C ATOM 525 CG2 VAL A 215 -2.151 -3.065 -1.614 1.00 0.09 C ATOM 0 H VAL A 215 -0.472 -2.665 -3.360 1.00 0.07 H new ATOM 0 HA VAL A 215 0.736 -4.840 -1.888 1.00 0.07 H new ATOM 0 HB VAL A 215 -1.018 -4.228 -0.237 1.00 0.08 H new ATOM 0 HG11 VAL A 215 -0.410 -1.922 0.147 1.00 0.10 H new ATOM 0 HG12 VAL A 215 1.007 -2.905 -0.291 1.00 0.10 H new ATOM 0 HG13 VAL A 215 0.273 -1.816 -1.493 1.00 0.10 H new ATOM 0 HG21 VAL A 215 -2.639 -2.487 -0.829 1.00 0.09 H new ATOM 0 HG22 VAL A 215 -1.975 -2.426 -2.479 1.00 0.09 H new ATOM 0 HG23 VAL A 215 -2.792 -3.898 -1.903 1.00 0.09 H new ATOM 535 N GLN A 216 -1.527 -6.258 -1.652 1.00 0.08 N ATOM 536 CA GLN A 216 -2.562 -7.231 -1.778 1.00 0.12 C ATOM 537 C GLN A 216 -3.786 -6.699 -1.085 1.00 0.13 C ATOM 538 O GLN A 216 -3.822 -6.638 0.138 1.00 0.16 O ATOM 539 CB GLN A 216 -2.088 -8.501 -1.077 1.00 0.18 C ATOM 540 CG GLN A 216 -3.007 -9.703 -1.197 1.00 0.30 C ATOM 541 CD GLN A 216 -3.212 -10.171 -2.621 1.00 0.94 C ATOM 542 OE1 GLN A 216 -2.418 -10.944 -3.159 1.00 1.64 O ATOM 543 NE2 GLN A 216 -4.310 -9.757 -3.222 1.00 1.69 N ATOM 0 H GLN A 216 -1.088 -6.249 -0.731 1.00 0.08 H new ATOM 0 HA GLN A 216 -2.792 -7.442 -2.822 1.00 0.12 H new ATOM 0 HB2 GLN A 216 -1.112 -8.772 -1.478 1.00 0.18 H new ATOM 0 HB3 GLN A 216 -1.947 -8.279 -0.019 1.00 0.18 H new ATOM 0 HG2 GLN A 216 -2.596 -10.524 -0.610 1.00 0.30 H new ATOM 0 HG3 GLN A 216 -3.975 -9.454 -0.763 1.00 0.30 H new ATOM 0 HE21 GLN A 216 -4.943 -9.116 -2.743 1.00 1.69 H new ATOM 0 HE22 GLN A 216 -4.527 -10.077 -4.166 1.00 1.69 H new ATOM 552 N LEU A 217 -4.772 -6.288 -1.847 1.00 0.17 N ATOM 553 CA LEU A 217 -5.937 -5.684 -1.241 1.00 0.20 C ATOM 554 C LEU A 217 -6.747 -6.718 -0.517 1.00 0.23 C ATOM 555 O LEU A 217 -6.802 -7.874 -0.916 1.00 0.30 O ATOM 556 CB LEU A 217 -6.779 -4.908 -2.245 1.00 0.25 C ATOM 557 CG LEU A 217 -6.259 -3.496 -2.538 1.00 0.25 C ATOM 558 CD1 LEU A 217 -4.911 -3.559 -3.220 1.00 0.23 C ATOM 559 CD2 LEU A 217 -7.244 -2.697 -3.384 1.00 0.32 C ATOM 0 H LEU A 217 -4.794 -6.357 -2.864 1.00 0.17 H new ATOM 0 HA LEU A 217 -5.586 -4.953 -0.512 1.00 0.20 H new ATOM 0 HB2 LEU A 217 -6.821 -5.469 -3.178 1.00 0.25 H new ATOM 0 HB3 LEU A 217 -7.800 -4.837 -1.869 1.00 0.25 H new ATOM 0 HG LEU A 217 -6.149 -2.982 -1.583 1.00 0.25 H new ATOM 0 HD11 LEU A 217 -4.557 -2.548 -3.421 1.00 0.23 H new ATOM 0 HD12 LEU A 217 -4.199 -4.071 -2.572 1.00 0.23 H new ATOM 0 HD13 LEU A 217 -5.004 -4.104 -4.159 1.00 0.23 H new ATOM 0 HD21 LEU A 217 -6.840 -1.702 -3.570 1.00 0.32 H new ATOM 0 HD22 LEU A 217 -7.405 -3.207 -4.334 1.00 0.32 H new ATOM 0 HD23 LEU A 217 -8.192 -2.610 -2.853 1.00 0.32 H new ATOM 571 N ASN A 218 -7.319 -6.286 0.586 1.00 0.26 N ATOM 572 CA ASN A 218 -8.178 -7.139 1.395 1.00 0.31 C ATOM 573 C ASN A 218 -9.442 -7.445 0.607 1.00 0.48 C ATOM 574 O ASN A 218 -10.077 -8.482 0.778 1.00 0.62 O ATOM 575 CB ASN A 218 -8.521 -6.445 2.714 1.00 0.46 C ATOM 576 CG ASN A 218 -8.968 -7.407 3.802 1.00 0.68 C ATOM 577 OD1 ASN A 218 -8.719 -7.041 5.048 1.00 1.28 O flip ATOM 578 ND2 ASN A 218 -9.532 -8.465 3.531 1.00 0.97 N flip ATOM 0 H ASN A 218 -7.206 -5.340 0.950 1.00 0.26 H new ATOM 0 HA ASN A 218 -7.661 -8.070 1.630 1.00 0.31 H new ATOM 0 HB2 ASN A 218 -7.649 -5.893 3.063 1.00 0.46 H new ATOM 0 HB3 ASN A 218 -9.311 -5.715 2.538 1.00 0.46 H new ATOM 0 HD21 ASN A 218 -9.708 -8.715 2.558 1.00 0.97 H new ATOM 0 HD22 ASN A 218 -9.824 -9.093 4.279 1.00 0.97 H new ATOM 585 N SER A 219 -9.786 -6.510 -0.275 1.00 0.55 N ATOM 586 CA SER A 219 -10.816 -6.722 -1.278 1.00 0.73 C ATOM 587 C SER A 219 -10.350 -7.769 -2.282 1.00 0.72 C ATOM 588 O SER A 219 -11.140 -8.331 -3.039 1.00 0.90 O ATOM 589 CB SER A 219 -11.103 -5.412 -1.991 1.00 0.80 C ATOM 590 OG SER A 219 -11.488 -4.403 -1.071 1.00 1.11 O ATOM 0 H SER A 219 -9.356 -5.586 -0.311 1.00 0.55 H new ATOM 0 HA SER A 219 -11.727 -7.076 -0.795 1.00 0.73 H new ATOM 0 HB2 SER A 219 -10.217 -5.091 -2.538 1.00 0.80 H new ATOM 0 HB3 SER A 219 -11.895 -5.560 -2.725 1.00 0.80 H new ATOM 0 HG SER A 219 -11.665 -3.569 -1.555 1.00 1.11 H new ATOM 596 N GLY A 220 -9.050 -8.014 -2.268 1.00 0.58 N ATOM 597 CA GLY A 220 -8.459 -9.002 -3.147 1.00 0.68 C ATOM 598 C GLY A 220 -8.059 -8.420 -4.484 1.00 0.59 C ATOM 599 O GLY A 220 -8.077 -9.111 -5.496 1.00 0.67 O ATOM 0 H GLY A 220 -8.386 -7.540 -1.656 1.00 0.58 H new ATOM 0 HA2 GLY A 220 -7.582 -9.434 -2.665 1.00 0.68 H new ATOM 0 HA3 GLY A 220 -9.169 -9.814 -3.305 1.00 0.68 H new ATOM 603 N MET A 221 -7.688 -7.148 -4.485 1.00 0.47 N ATOM 604 CA MET A 221 -7.368 -6.458 -5.734 1.00 0.50 C ATOM 605 C MET A 221 -5.893 -6.574 -6.105 1.00 0.64 C ATOM 606 O MET A 221 -5.547 -7.152 -7.134 1.00 1.56 O ATOM 607 CB MET A 221 -7.753 -4.992 -5.622 1.00 0.49 C ATOM 608 CG MET A 221 -7.165 -4.098 -6.704 1.00 0.79 C ATOM 609 SD MET A 221 -8.321 -3.774 -8.037 1.00 1.00 S ATOM 610 CE MET A 221 -9.548 -2.859 -7.113 1.00 0.86 C ATOM 0 H MET A 221 -7.601 -6.574 -3.646 1.00 0.47 H new ATOM 0 HA MET A 221 -7.941 -6.940 -6.526 1.00 0.50 H new ATOM 0 HB2 MET A 221 -8.840 -4.912 -5.654 1.00 0.49 H new ATOM 0 HB3 MET A 221 -7.434 -4.620 -4.648 1.00 0.49 H new ATOM 0 HG2 MET A 221 -6.855 -3.152 -6.259 1.00 0.79 H new ATOM 0 HG3 MET A 221 -6.270 -4.568 -7.111 1.00 0.79 H new ATOM 0 HE1 MET A 221 -10.051 -2.154 -7.775 1.00 0.86 H new ATOM 0 HE2 MET A 221 -10.280 -3.551 -6.696 1.00 0.86 H new ATOM 0 HE3 MET A 221 -9.062 -2.314 -6.304 1.00 0.86 H new ATOM 620 N SER A 222 -5.055 -6.006 -5.251 1.00 0.40 N ATOM 621 CA SER A 222 -3.619 -5.855 -5.483 1.00 0.24 C ATOM 622 C SER A 222 -3.349 -4.698 -6.420 1.00 0.20 C ATOM 623 O SER A 222 -3.807 -4.705 -7.565 1.00 0.26 O ATOM 624 CB SER A 222 -2.949 -7.110 -6.017 1.00 0.32 C ATOM 625 OG SER A 222 -3.225 -8.223 -5.196 1.00 0.90 O ATOM 0 H SER A 222 -5.358 -5.627 -4.354 1.00 0.40 H new ATOM 0 HA SER A 222 -3.182 -5.657 -4.504 1.00 0.24 H new ATOM 0 HB2 SER A 222 -3.296 -7.308 -7.031 1.00 0.32 H new ATOM 0 HB3 SER A 222 -1.872 -6.955 -6.074 1.00 0.32 H new ATOM 0 HG SER A 222 -2.784 -9.017 -5.563 1.00 0.90 H new ATOM 631 N LEU A 223 -2.548 -3.744 -5.936 1.00 0.16 N ATOM 632 CA LEU A 223 -2.429 -2.429 -6.595 1.00 0.17 C ATOM 633 C LEU A 223 -1.900 -1.335 -5.665 1.00 0.12 C ATOM 634 O LEU A 223 -1.046 -0.545 -6.047 1.00 0.14 O ATOM 635 CB LEU A 223 -3.810 -1.980 -7.076 1.00 0.21 C ATOM 636 CG LEU A 223 -3.858 -0.633 -7.804 1.00 0.30 C ATOM 637 CD1 LEU A 223 -3.050 -0.685 -9.091 1.00 0.38 C ATOM 638 CD2 LEU A 223 -5.298 -0.236 -8.090 1.00 0.37 C ATOM 0 H LEU A 223 -1.975 -3.850 -5.099 1.00 0.16 H new ATOM 0 HA LEU A 223 -1.722 -2.559 -7.415 1.00 0.17 H new ATOM 0 HB2 LEU A 223 -4.208 -2.746 -7.742 1.00 0.21 H new ATOM 0 HB3 LEU A 223 -4.475 -1.929 -6.214 1.00 0.21 H new ATOM 0 HG LEU A 223 -3.413 0.123 -7.156 1.00 0.30 H new ATOM 0 HD11 LEU A 223 -3.099 0.283 -9.591 1.00 0.38 H new ATOM 0 HD12 LEU A 223 -2.012 -0.922 -8.859 1.00 0.38 H new ATOM 0 HD13 LEU A 223 -3.460 -1.453 -9.747 1.00 0.38 H new ATOM 0 HD21 LEU A 223 -5.315 0.723 -8.608 1.00 0.37 H new ATOM 0 HD22 LEU A 223 -5.767 -0.995 -8.716 1.00 0.37 H new ATOM 0 HD23 LEU A 223 -5.845 -0.152 -7.151 1.00 0.37 H new ATOM 650 N ILE A 224 -2.403 -1.346 -4.439 1.00 0.11 N ATOM 651 CA ILE A 224 -2.452 -0.184 -3.556 1.00 0.10 C ATOM 652 C ILE A 224 -2.613 1.147 -4.317 1.00 0.12 C ATOM 653 O ILE A 224 -3.743 1.502 -4.640 1.00 0.18 O ATOM 654 CB ILE A 224 -1.347 -0.161 -2.446 1.00 0.10 C ATOM 655 CG1 ILE A 224 -1.936 0.352 -1.137 1.00 0.20 C ATOM 656 CG2 ILE A 224 -0.103 0.615 -2.768 1.00 0.10 C ATOM 657 CD1 ILE A 224 -0.931 0.984 -0.204 1.00 0.23 C ATOM 0 H ILE A 224 -2.800 -2.186 -4.017 1.00 0.11 H new ATOM 0 HA ILE A 224 -3.375 -0.304 -2.989 1.00 0.10 H new ATOM 0 HB ILE A 224 -1.022 -1.198 -2.366 1.00 0.10 H new ATOM 0 HG12 ILE A 224 -2.712 1.083 -1.364 1.00 0.20 H new ATOM 0 HG13 ILE A 224 -2.420 -0.477 -0.621 1.00 0.20 H new ATOM 0 HG21 ILE A 224 0.588 0.560 -1.927 1.00 0.10 H new ATOM 0 HG22 ILE A 224 0.370 0.193 -3.655 1.00 0.10 H new ATOM 0 HG23 ILE A 224 -0.363 1.657 -2.956 1.00 0.10 H new ATOM 0 HD11 ILE A 224 -1.436 1.320 0.701 1.00 0.23 H new ATOM 0 HD12 ILE A 224 -0.167 0.252 0.058 1.00 0.23 H new ATOM 0 HD13 ILE A 224 -0.463 1.836 -0.697 1.00 0.23 H new ATOM 669 N VAL A 225 -1.516 1.837 -4.660 1.00 0.12 N ATOM 670 CA VAL A 225 -1.586 3.218 -5.144 1.00 0.18 C ATOM 671 C VAL A 225 -0.242 3.926 -4.922 1.00 0.13 C ATOM 672 O VAL A 225 0.802 3.287 -4.765 1.00 0.13 O ATOM 673 CB VAL A 225 -2.714 3.975 -4.386 1.00 0.28 C ATOM 674 CG1 VAL A 225 -2.310 4.238 -2.949 1.00 0.42 C ATOM 675 CG2 VAL A 225 -3.173 5.247 -5.092 1.00 0.80 C ATOM 0 H VAL A 225 -0.570 1.459 -4.610 1.00 0.12 H new ATOM 0 HA VAL A 225 -1.806 3.212 -6.212 1.00 0.18 H new ATOM 0 HB VAL A 225 -3.584 3.319 -4.383 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -3.113 4.768 -2.437 1.00 0.42 H new ATOM 0 HG12 VAL A 225 -2.122 3.290 -2.445 1.00 0.42 H new ATOM 0 HG13 VAL A 225 -1.405 4.845 -2.931 1.00 0.42 H new ATOM 0 HG21 VAL A 225 -3.960 5.723 -4.508 1.00 0.80 H new ATOM 0 HG22 VAL A 225 -2.331 5.932 -5.192 1.00 0.80 H new ATOM 0 HG23 VAL A 225 -3.556 4.996 -6.081 1.00 0.80 H new ATOM 685 N ARG A 226 -0.311 5.237 -4.896 1.00 0.16 N ATOM 686 CA ARG A 226 0.824 6.117 -4.661 1.00 0.17 C ATOM 687 C ARG A 226 0.853 6.477 -3.184 1.00 0.17 C ATOM 688 O ARG A 226 -0.182 6.485 -2.520 1.00 0.21 O ATOM 689 CB ARG A 226 0.655 7.388 -5.504 1.00 0.25 C ATOM 690 CG ARG A 226 1.788 7.667 -6.478 1.00 1.12 C ATOM 691 CD ARG A 226 2.961 8.358 -5.805 1.00 1.33 C ATOM 692 NE ARG A 226 4.053 8.622 -6.744 1.00 2.01 N ATOM 693 CZ ARG A 226 5.232 9.135 -6.394 1.00 2.64 C ATOM 694 NH1 ARG A 226 5.480 9.433 -5.127 1.00 2.71 N ATOM 695 NH2 ARG A 226 6.167 9.348 -7.312 1.00 3.53 N ATOM 0 H ARG A 226 -1.185 5.742 -5.042 1.00 0.16 H new ATOM 0 HA ARG A 226 1.756 5.625 -4.940 1.00 0.17 H new ATOM 0 HB2 ARG A 226 -0.276 7.313 -6.065 1.00 0.25 H new ATOM 0 HB3 ARG A 226 0.555 8.241 -4.833 1.00 0.25 H new ATOM 0 HG2 ARG A 226 2.125 6.729 -6.920 1.00 1.12 H new ATOM 0 HG3 ARG A 226 1.420 8.290 -7.293 1.00 1.12 H new ATOM 0 HD2 ARG A 226 2.625 9.297 -5.366 1.00 1.33 H new ATOM 0 HD3 ARG A 226 3.328 7.737 -4.988 1.00 1.33 H new ATOM 0 HE ARG A 226 3.902 8.399 -7.728 1.00 2.01 H new ATOM 0 HH11 ARG A 226 4.767 9.270 -4.416 1.00 2.71 H new ATOM 0 HH12 ARG A 226 6.384 9.826 -4.863 1.00 2.71 H new ATOM 0 HH21 ARG A 226 5.984 9.119 -8.289 1.00 3.53 H new ATOM 0 HH22 ARG A 226 7.068 9.741 -7.040 1.00 3.53 H new ATOM 709 N ALA A 227 2.039 6.779 -2.677 1.00 0.17 N ATOM 710 CA ALA A 227 2.237 6.998 -1.248 1.00 0.20 C ATOM 711 C ALA A 227 1.435 8.164 -0.702 1.00 0.23 C ATOM 712 O ALA A 227 1.217 8.262 0.500 1.00 0.30 O ATOM 713 CB ALA A 227 3.686 7.236 -0.964 1.00 0.25 C ATOM 0 H ALA A 227 2.886 6.879 -3.237 1.00 0.17 H new ATOM 0 HA ALA A 227 1.884 6.095 -0.750 1.00 0.20 H new ATOM 0 HB1 ALA A 227 3.825 7.399 0.105 1.00 0.25 H new ATOM 0 HB2 ALA A 227 4.266 6.368 -1.278 1.00 0.25 H new ATOM 0 HB3 ALA A 227 4.025 8.115 -1.512 1.00 0.25 H new ATOM 719 N GLU A 228 1.003 9.046 -1.575 1.00 0.25 N ATOM 720 CA GLU A 228 0.260 10.210 -1.149 1.00 0.31 C ATOM 721 C GLU A 228 -1.211 9.981 -1.412 1.00 0.37 C ATOM 722 O GLU A 228 -1.993 10.905 -1.642 1.00 0.47 O ATOM 723 CB GLU A 228 0.782 11.454 -1.853 1.00 0.37 C ATOM 724 CG GLU A 228 0.333 12.764 -1.227 1.00 1.18 C ATOM 725 CD GLU A 228 0.792 12.899 0.207 1.00 1.95 C ATOM 726 OE1 GLU A 228 2.000 13.116 0.429 1.00 2.30 O ATOM 727 OE2 GLU A 228 -0.057 12.807 1.119 1.00 2.57 O ATOM 0 H GLU A 228 1.153 8.980 -2.582 1.00 0.25 H new ATOM 0 HA GLU A 228 0.393 10.370 -0.079 1.00 0.31 H new ATOM 0 HB2 GLU A 228 1.872 11.423 -1.859 1.00 0.37 H new ATOM 0 HB3 GLU A 228 0.456 11.432 -2.893 1.00 0.37 H new ATOM 0 HG2 GLU A 228 0.724 13.597 -1.812 1.00 1.18 H new ATOM 0 HG3 GLU A 228 -0.754 12.830 -1.266 1.00 1.18 H new ATOM 734 N HIS A 229 -1.558 8.714 -1.403 1.00 0.36 N ATOM 735 CA HIS A 229 -2.906 8.276 -1.608 1.00 0.44 C ATOM 736 C HIS A 229 -3.252 7.134 -0.658 1.00 0.48 C ATOM 737 O HIS A 229 -4.424 6.871 -0.392 1.00 0.59 O ATOM 738 CB HIS A 229 -3.064 7.814 -3.037 1.00 0.47 C ATOM 739 CG HIS A 229 -3.806 8.771 -3.915 1.00 0.86 C ATOM 740 ND1 HIS A 229 -5.159 8.682 -4.168 1.00 0.69 N ATOM 741 CD2 HIS A 229 -3.367 9.842 -4.611 1.00 2.03 C ATOM 742 CE1 HIS A 229 -5.515 9.659 -4.982 1.00 1.24 C ATOM 743 NE2 HIS A 229 -4.446 10.376 -5.264 1.00 2.24 N ATOM 0 H HIS A 229 -0.896 7.953 -1.250 1.00 0.36 H new ATOM 0 HA HIS A 229 -3.583 9.107 -1.408 1.00 0.44 H new ATOM 0 HB2 HIS A 229 -2.075 7.641 -3.462 1.00 0.47 H new ATOM 0 HB3 HIS A 229 -3.585 6.856 -3.041 1.00 0.47 H new ATOM 0 HD2 HIS A 229 -2.352 10.210 -4.646 1.00 2.03 H new ATOM 0 HE1 HIS A 229 -6.513 9.840 -5.354 1.00 1.24 H new ATOM 0 HE2 HIS A 229 -4.425 11.196 -5.870 1.00 2.24 H new ATOM 752 N LEU A 230 -2.229 6.436 -0.167 1.00 0.43 N ATOM 753 CA LEU A 230 -2.415 5.330 0.718 1.00 0.50 C ATOM 754 C LEU A 230 -2.284 5.778 2.166 1.00 0.49 C ATOM 755 O LEU A 230 -1.926 6.925 2.438 1.00 0.53 O ATOM 756 CB LEU A 230 -1.391 4.263 0.346 1.00 0.57 C ATOM 757 CG LEU A 230 0.002 4.805 0.059 1.00 0.34 C ATOM 758 CD1 LEU A 230 0.568 5.360 1.328 1.00 0.80 C ATOM 759 CD2 LEU A 230 0.916 3.747 -0.534 1.00 0.46 C ATOM 0 H LEU A 230 -1.253 6.637 -0.383 1.00 0.43 H new ATOM 0 HA LEU A 230 -3.417 4.913 0.618 1.00 0.50 H new ATOM 0 HB2 LEU A 230 -1.326 3.539 1.158 1.00 0.57 H new ATOM 0 HB3 LEU A 230 -1.747 3.725 -0.533 1.00 0.57 H new ATOM 0 HG LEU A 230 -0.073 5.594 -0.689 1.00 0.34 H new ATOM 0 HD11 LEU A 230 1.567 5.753 1.140 1.00 0.80 H new ATOM 0 HD12 LEU A 230 -0.074 6.162 1.693 1.00 0.80 H new ATOM 0 HD13 LEU A 230 0.624 4.570 2.077 1.00 0.80 H new ATOM 0 HD21 LEU A 230 1.899 4.179 -0.722 1.00 0.46 H new ATOM 0 HD22 LEU A 230 1.013 2.916 0.165 1.00 0.46 H new ATOM 0 HD23 LEU A 230 0.493 3.385 -1.471 1.00 0.46 H new ATOM 771 N VAL A 231 -2.572 4.877 3.083 1.00 0.50 N ATOM 772 CA VAL A 231 -2.508 5.185 4.506 1.00 0.58 C ATOM 773 C VAL A 231 -1.872 4.052 5.321 1.00 0.59 C ATOM 774 O VAL A 231 -2.548 3.311 6.036 1.00 0.76 O ATOM 775 CB VAL A 231 -3.904 5.536 5.062 1.00 0.70 C ATOM 776 CG1 VAL A 231 -4.393 6.835 4.455 1.00 0.88 C ATOM 777 CG2 VAL A 231 -4.890 4.429 4.769 1.00 0.82 C ATOM 0 H VAL A 231 -2.854 3.920 2.872 1.00 0.50 H new ATOM 0 HA VAL A 231 -1.863 6.058 4.608 1.00 0.58 H new ATOM 0 HB VAL A 231 -3.824 5.652 6.143 1.00 0.70 H new ATOM 0 HG11 VAL A 231 -5.379 7.074 4.853 1.00 0.88 H new ATOM 0 HG12 VAL A 231 -3.697 7.637 4.702 1.00 0.88 H new ATOM 0 HG13 VAL A 231 -4.455 6.730 3.372 1.00 0.88 H new ATOM 0 HG21 VAL A 231 -5.868 4.697 5.170 1.00 0.82 H new ATOM 0 HG22 VAL A 231 -4.966 4.286 3.691 1.00 0.82 H new ATOM 0 HG23 VAL A 231 -4.548 3.505 5.235 1.00 0.82 H new ATOM 787 N PHE A 232 -0.562 3.906 5.178 1.00 0.49 N ATOM 788 CA PHE A 232 0.219 3.026 6.014 1.00 0.47 C ATOM 789 C PHE A 232 0.247 3.521 7.458 1.00 0.58 C ATOM 790 O PHE A 232 -0.386 2.874 8.318 1.00 1.30 O ATOM 791 CB PHE A 232 1.655 2.879 5.477 1.00 0.46 C ATOM 792 CG PHE A 232 2.180 4.002 4.603 1.00 0.38 C ATOM 793 CD1 PHE A 232 1.892 5.332 4.883 1.00 0.58 C ATOM 794 CD2 PHE A 232 2.995 3.718 3.507 1.00 0.26 C ATOM 795 CE1 PHE A 232 2.391 6.349 4.093 1.00 0.57 C ATOM 796 CE2 PHE A 232 3.493 4.739 2.718 1.00 0.30 C ATOM 797 CZ PHE A 232 3.193 6.053 3.012 1.00 0.37 C ATOM 798 OXT PHE A 232 0.886 4.560 7.727 1.00 1.23 O ATOM 0 H PHE A 232 -0.015 4.400 4.473 1.00 0.49 H new ATOM 0 HA PHE A 232 -0.259 2.047 5.993 1.00 0.47 H new ATOM 0 HB2 PHE A 232 2.326 2.770 6.329 1.00 0.46 H new ATOM 0 HB3 PHE A 232 1.711 1.952 4.907 1.00 0.46 H new ATOM 0 HD1 PHE A 232 1.269 5.574 5.731 1.00 0.58 H new ATOM 0 HD2 PHE A 232 3.239 2.692 3.273 1.00 0.26 H new ATOM 0 HE1 PHE A 232 2.153 7.377 4.323 1.00 0.57 H new ATOM 0 HE2 PHE A 232 4.119 4.507 1.869 1.00 0.30 H new ATOM 0 HZ PHE A 232 3.586 6.848 2.396 1.00 0.37 H new TER 808 PHE A 232