USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 389 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 1 GLY N :NH3+ -107:sc= 0.102 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00333 K(o=-0.0033,f=-2.3!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 4:sc= 0.0914 USER MOD Single : A 12 SER OG : rot -170:sc= -0.223 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.058 X(o=-0.058,f=-0.058) USER MOD Single : A 18 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0043) USER MOD Single : A 19 TYR OH : rot 63:sc= 1.29 USER MOD Single : A 21 ASN : amide:sc=-0.00347 X(o=-0.0035,f=-0.021) USER MOD Single : B 1 PHE N :NH3+ -121:sc= 0.105 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.099) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-6.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00434 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc= 0.00941 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0129) USER MOD Single : B 30 THR OG1 : rot -26:sc= 0.0919 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.781 -0.634 -1.263 1.00 25.00 N ATOM 2 CA GLY A 1 5.591 0.820 -1.541 1.00 25.00 C ATOM 3 C GLY A 1 4.437 1.059 -2.482 1.00 25.00 C ATOM 4 O GLY A 1 3.997 0.122 -3.122 1.00 25.00 O ATOM 0 H1 GLY A 1 5.463 -0.847 -0.296 1.00 25.00 H new ATOM 0 H2 GLY A 1 5.224 -1.193 -1.941 1.00 25.00 H new ATOM 0 H3 GLY A 1 6.788 -0.877 -1.358 1.00 25.00 H new ATOM 0 HA2 GLY A 1 5.414 1.350 -0.605 1.00 25.00 H new ATOM 0 HA3 GLY A 1 6.504 1.231 -1.972 1.00 25.00 H new ATOM 10 N ILE A 2 3.950 2.292 -2.575 1.00 25.00 N ATOM 11 CA ILE A 2 2.771 2.612 -3.400 1.00 25.00 C ATOM 12 C ILE A 2 2.977 2.302 -4.897 1.00 25.00 C ATOM 13 O ILE A 2 2.053 1.920 -5.604 1.00 25.00 O ATOM 14 CB ILE A 2 2.369 4.120 -3.189 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.927 4.354 -3.674 1.00 25.00 C ATOM 16 CG2 ILE A 2 3.393 5.082 -3.884 1.00 25.00 C ATOM 17 CD1 ILE A 2 0.371 5.765 -3.398 1.00 25.00 C ATOM 0 H ILE A 2 4.350 3.095 -2.090 1.00 25.00 H new ATOM 0 HA ILE A 2 1.958 1.966 -3.068 1.00 25.00 H new ATOM 0 HB ILE A 2 2.403 4.349 -2.124 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.885 4.166 -4.747 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.275 3.622 -3.196 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.089 6.116 -3.721 1.00 25.00 H new ATOM 0 HG22 ILE A 2 4.385 4.924 -3.461 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.418 4.875 -4.954 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -0.649 5.834 -3.775 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.375 5.954 -2.325 1.00 25.00 H new ATOM 0 HD13 ILE A 2 0.994 6.506 -3.899 1.00 25.00 H new ATOM 29 N VAL A 3 4.211 2.424 -5.363 1.00 25.00 N ATOM 30 CA VAL A 3 4.552 2.161 -6.761 1.00 25.00 C ATOM 31 C VAL A 3 4.359 0.679 -7.125 1.00 25.00 C ATOM 32 O VAL A 3 4.081 0.341 -8.271 1.00 25.00 O ATOM 33 CB VAL A 3 6.023 2.643 -7.036 1.00 25.00 C ATOM 34 CG1 VAL A 3 7.044 1.847 -6.202 1.00 25.00 C ATOM 35 CG2 VAL A 3 6.368 2.579 -8.520 1.00 25.00 C ATOM 0 H VAL A 3 5.005 2.707 -4.788 1.00 25.00 H new ATOM 0 HA VAL A 3 3.872 2.723 -7.402 1.00 25.00 H new ATOM 0 HB VAL A 3 6.079 3.687 -6.726 1.00 25.00 H new ATOM 0 HG11 VAL A 3 8.050 2.207 -6.418 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.831 1.980 -5.141 1.00 25.00 H new ATOM 0 HG13 VAL A 3 6.975 0.789 -6.456 1.00 25.00 H new ATOM 0 HG21 VAL A 3 7.392 2.920 -8.670 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.272 1.552 -8.872 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.687 3.220 -9.080 1.00 25.00 H new ATOM 45 N GLU A 4 4.475 -0.203 -6.140 1.00 25.00 N ATOM 46 CA GLU A 4 4.393 -1.636 -6.374 1.00 25.00 C ATOM 47 C GLU A 4 3.026 -2.029 -6.905 1.00 25.00 C ATOM 48 O GLU A 4 2.913 -2.939 -7.711 1.00 25.00 O ATOM 49 CB GLU A 4 4.674 -2.384 -5.066 1.00 25.00 C ATOM 50 CG GLU A 4 4.938 -3.871 -5.248 1.00 25.00 C ATOM 51 CD GLU A 4 6.265 -4.147 -5.902 1.00 25.00 C ATOM 52 OE1 GLU A 4 7.123 -3.315 -6.028 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.391 -5.361 -6.328 1.00 25.00 O ATOM 0 H GLU A 4 4.627 0.054 -5.165 1.00 25.00 H new ATOM 0 HA GLU A 4 5.138 -1.905 -7.123 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.536 -1.930 -4.578 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.824 -2.256 -4.396 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.907 -4.363 -4.276 1.00 25.00 H new ATOM 0 HG3 GLU A 4 4.142 -4.306 -5.852 1.00 25.00 H new ATOM 61 N GLN A 5 1.999 -1.316 -6.466 1.00 25.00 N ATOM 62 CA GLN A 5 0.625 -1.599 -6.874 1.00 25.00 C ATOM 63 C GLN A 5 0.459 -1.487 -8.387 1.00 25.00 C ATOM 64 O GLN A 5 -0.303 -2.230 -8.984 1.00 25.00 O ATOM 65 CB GLN A 5 -0.323 -0.624 -6.174 1.00 25.00 C ATOM 66 CG GLN A 5 -0.354 -0.807 -4.655 1.00 25.00 C ATOM 67 CD GLN A 5 -1.076 0.313 -3.946 1.00 25.00 C ATOM 68 OE1 GLN A 5 -0.453 1.163 -3.335 1.00 25.00 O ATOM 69 NE2 GLN A 5 -2.381 0.312 -4.008 1.00 25.00 N ATOM 0 H GLN A 5 2.090 -0.530 -5.822 1.00 25.00 H new ATOM 0 HA GLN A 5 0.385 -2.623 -6.586 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.021 0.397 -6.405 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.329 -0.756 -6.571 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.839 -1.754 -4.417 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.668 -0.869 -4.280 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.866 -0.418 -4.530 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -2.915 1.041 -3.534 1.00 25.00 H new ATOM 78 N CYS A 6 1.200 -0.577 -9.008 1.00 25.00 N ATOM 79 CA CYS A 6 1.113 -0.414 -10.457 1.00 25.00 C ATOM 80 C CYS A 6 2.176 -1.225 -11.177 1.00 25.00 C ATOM 81 O CYS A 6 2.033 -1.542 -12.351 1.00 25.00 O ATOM 82 CB CYS A 6 1.261 1.056 -10.835 1.00 25.00 C ATOM 83 SG CYS A 6 0.082 2.174 -10.005 1.00 25.00 S ATOM 0 H CYS A 6 1.857 0.050 -8.543 1.00 25.00 H new ATOM 0 HA CYS A 6 0.133 -0.778 -10.766 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.275 1.378 -10.599 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.138 1.155 -11.914 1.00 25.00 H new ATOM 88 N CYS A 7 3.256 -1.536 -10.481 1.00 25.00 N ATOM 89 CA CYS A 7 4.351 -2.269 -11.090 1.00 25.00 C ATOM 90 C CYS A 7 4.074 -3.770 -11.196 1.00 25.00 C ATOM 91 O CYS A 7 4.316 -4.376 -12.231 1.00 25.00 O ATOM 92 CB CYS A 7 5.637 -2.070 -10.285 1.00 25.00 C ATOM 93 SG CYS A 7 6.643 -0.675 -10.872 1.00 25.00 S ATOM 0 H CYS A 7 3.397 -1.294 -9.500 1.00 25.00 H new ATOM 0 HA CYS A 7 4.460 -1.871 -12.099 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.381 -1.909 -9.238 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.231 -2.983 -10.331 1.00 25.00 H new ATOM 98 N THR A 8 3.621 -4.378 -10.107 1.00 25.00 N ATOM 99 CA THR A 8 3.459 -5.835 -10.070 1.00 25.00 C ATOM 100 C THR A 8 2.091 -6.262 -10.596 1.00 25.00 C ATOM 101 O THR A 8 1.920 -7.382 -11.068 1.00 25.00 O ATOM 102 CB THR A 8 3.703 -6.395 -8.630 1.00 25.00 C ATOM 103 OG1 THR A 8 4.042 -7.781 -8.697 1.00 25.00 O ATOM 104 CG2 THR A 8 2.479 -6.260 -7.728 1.00 25.00 C ATOM 0 H THR A 8 3.361 -3.897 -9.246 1.00 25.00 H new ATOM 0 HA THR A 8 4.214 -6.262 -10.730 1.00 25.00 H new ATOM 0 HB THR A 8 4.515 -5.805 -8.206 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.195 -8.125 -7.792 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.707 -6.665 -6.742 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.210 -5.208 -7.635 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.645 -6.811 -8.162 1.00 25.00 H new ATOM 112 N SER A 9 1.124 -5.356 -10.557 1.00 25.00 N ATOM 113 CA SER A 9 -0.214 -5.665 -11.035 1.00 25.00 C ATOM 114 C SER A 9 -0.797 -4.426 -11.705 1.00 25.00 C ATOM 115 O SER A 9 -0.057 -3.507 -12.024 1.00 25.00 O ATOM 116 CB SER A 9 -1.091 -6.159 -9.880 1.00 25.00 C ATOM 117 OG SER A 9 -1.179 -5.181 -8.863 1.00 25.00 O ATOM 0 H SER A 9 1.241 -4.407 -10.201 1.00 25.00 H new ATOM 0 HA SER A 9 -0.174 -6.469 -11.770 1.00 25.00 H new ATOM 0 HB2 SER A 9 -2.088 -6.396 -10.250 1.00 25.00 H new ATOM 0 HB3 SER A 9 -0.676 -7.080 -9.470 1.00 25.00 H new ATOM 0 HG SER A 9 -0.706 -4.371 -9.146 1.00 25.00 H new ATOM 123 N ILE A 10 -2.064 -4.464 -12.085 1.00 25.00 N ATOM 124 CA ILE A 10 -2.625 -3.406 -12.925 1.00 25.00 C ATOM 125 C ILE A 10 -3.257 -2.287 -12.105 1.00 25.00 C ATOM 126 O ILE A 10 -4.279 -2.481 -11.451 1.00 25.00 O ATOM 127 CB ILE A 10 -3.727 -3.961 -13.890 1.00 25.00 C ATOM 128 CG1 ILE A 10 -3.209 -5.165 -14.713 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.245 -2.833 -14.826 1.00 25.00 C ATOM 130 CD1 ILE A 10 -2.092 -4.852 -15.707 1.00 25.00 C ATOM 0 H ILE A 10 -2.720 -5.203 -11.832 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.783 -3.012 -13.494 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.557 -4.317 -13.280 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.853 -5.929 -14.022 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -4.047 -5.596 -15.260 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -5.010 -3.234 -15.491 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.671 -2.029 -14.226 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.417 -2.444 -15.419 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.804 -5.764 -16.230 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.444 -4.115 -16.429 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.230 -4.453 -15.172 1.00 25.00 H new ATOM 142 N CYS A 11 -2.716 -1.087 -12.240 1.00 25.00 N ATOM 143 CA CYS A 11 -3.395 0.097 -11.732 1.00 25.00 C ATOM 144 C CYS A 11 -4.389 0.521 -12.801 1.00 25.00 C ATOM 145 O CYS A 11 -4.001 0.933 -13.896 1.00 25.00 O ATOM 146 CB CYS A 11 -2.415 1.235 -11.457 1.00 25.00 C ATOM 147 SG CYS A 11 -1.636 1.105 -9.822 1.00 25.00 S ATOM 0 H CYS A 11 -1.819 -0.906 -12.691 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.887 -0.132 -10.787 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.641 1.237 -12.225 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.940 2.187 -11.531 1.00 25.00 H new ATOM 152 N SER A 12 -5.670 0.410 -12.493 1.00 25.00 N ATOM 153 CA SER A 12 -6.711 0.854 -13.409 1.00 25.00 C ATOM 154 C SER A 12 -6.718 2.376 -13.372 1.00 25.00 C ATOM 155 O SER A 12 -6.098 2.981 -12.497 1.00 25.00 O ATOM 156 CB SER A 12 -8.068 0.306 -12.971 1.00 25.00 C ATOM 157 OG SER A 12 -8.418 0.823 -11.701 1.00 25.00 O ATOM 0 H SER A 12 -6.016 0.017 -11.617 1.00 25.00 H new ATOM 0 HA SER A 12 -6.520 0.493 -14.419 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.830 0.574 -13.703 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.033 -0.783 -12.931 1.00 25.00 H new ATOM 0 HG SER A 12 -9.205 0.349 -11.361 1.00 25.00 H new ATOM 163 N LEU A 13 -7.441 3.003 -14.288 1.00 25.00 N ATOM 164 CA LEU A 13 -7.508 4.465 -14.333 1.00 25.00 C ATOM 165 C LEU A 13 -8.051 5.055 -13.024 1.00 25.00 C ATOM 166 O LEU A 13 -7.695 6.158 -12.645 1.00 25.00 O ATOM 167 CB LEU A 13 -8.345 4.921 -15.538 1.00 25.00 C ATOM 168 CG LEU A 13 -9.855 4.613 -15.516 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.653 5.824 -15.039 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.318 4.205 -16.911 1.00 25.00 C ATOM 0 H LEU A 13 -7.988 2.531 -15.008 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.492 4.843 -14.451 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.224 5.999 -15.643 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.922 4.464 -16.433 1.00 25.00 H new ATOM 0 HG LEU A 13 -10.029 3.793 -14.819 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.715 5.580 -15.033 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.337 6.094 -14.031 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.477 6.663 -15.712 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.386 3.988 -16.891 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -10.126 5.019 -17.611 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.773 3.316 -17.230 1.00 25.00 H new ATOM 182 N TYR A 14 -8.880 4.304 -12.313 1.00 25.00 N ATOM 183 CA TYR A 14 -9.440 4.773 -11.049 1.00 25.00 C ATOM 184 C TYR A 14 -8.348 4.864 -9.981 1.00 25.00 C ATOM 185 O TYR A 14 -8.262 5.841 -9.244 1.00 25.00 O ATOM 186 CB TYR A 14 -10.549 3.819 -10.605 1.00 25.00 C ATOM 187 CG TYR A 14 -11.506 3.489 -11.731 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.481 4.417 -12.147 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.431 2.249 -12.399 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.364 4.113 -13.223 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.305 1.946 -13.476 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.261 2.883 -13.878 1.00 25.00 C ATOM 193 OH TYR A 14 -14.099 2.585 -14.920 1.00 25.00 O ATOM 0 H TYR A 14 -9.181 3.369 -12.587 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.858 5.770 -11.187 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.104 2.898 -10.227 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.103 4.267 -9.780 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.560 5.370 -11.645 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.698 1.520 -12.087 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -14.110 4.830 -13.531 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.231 0.995 -13.983 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.891 1.690 -15.262 1.00 25.00 H new ATOM 203 N GLN A 15 -7.469 3.871 -9.952 1.00 25.00 N ATOM 204 CA GLN A 15 -6.326 3.886 -9.039 1.00 25.00 C ATOM 205 C GLN A 15 -5.402 5.008 -9.451 1.00 25.00 C ATOM 206 O GLN A 15 -4.893 5.715 -8.615 1.00 25.00 O ATOM 207 CB GLN A 15 -5.564 2.556 -9.087 1.00 25.00 C ATOM 208 CG GLN A 15 -6.438 1.328 -8.857 1.00 25.00 C ATOM 209 CD GLN A 15 -7.286 1.427 -7.606 1.00 25.00 C ATOM 210 OE1 GLN A 15 -8.498 1.455 -7.685 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.659 1.489 -6.460 1.00 25.00 N ATOM 0 H GLN A 15 -7.522 3.045 -10.548 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.685 4.034 -8.021 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.076 2.464 -10.057 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.776 2.574 -8.334 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.089 1.186 -9.720 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -5.803 0.445 -8.789 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -5.640 1.463 -6.434 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -7.189 1.564 -5.592 1.00 25.00 H new ATOM 220 N LEU A 16 -5.202 5.186 -10.744 1.00 25.00 N ATOM 221 CA LEU A 16 -4.315 6.242 -11.225 1.00 25.00 C ATOM 222 C LEU A 16 -4.825 7.640 -10.851 1.00 25.00 C ATOM 223 O LEU A 16 -4.036 8.484 -10.463 1.00 25.00 O ATOM 224 CB LEU A 16 -4.078 6.098 -12.729 1.00 25.00 C ATOM 225 CG LEU A 16 -3.200 4.883 -13.096 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.222 4.634 -14.589 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.746 5.072 -12.640 1.00 25.00 C ATOM 0 H LEU A 16 -5.634 4.623 -11.477 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.354 6.127 -10.723 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.040 6.008 -13.234 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.605 7.006 -13.104 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.619 4.022 -12.575 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.596 3.773 -14.824 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.245 4.437 -14.910 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.841 5.512 -15.110 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.161 4.195 -12.917 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.326 5.955 -13.121 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.718 5.200 -11.558 1.00 25.00 H new ATOM 239 N GLU A 17 -6.133 7.872 -10.873 1.00 25.00 N ATOM 240 CA GLU A 17 -6.667 9.165 -10.416 1.00 25.00 C ATOM 241 C GLU A 17 -6.370 9.410 -8.932 1.00 25.00 C ATOM 242 O GLU A 17 -6.160 10.540 -8.515 1.00 25.00 O ATOM 243 CB GLU A 17 -8.180 9.260 -10.632 1.00 25.00 C ATOM 244 CG GLU A 17 -8.572 9.578 -12.062 1.00 25.00 C ATOM 245 CD GLU A 17 -9.965 10.126 -12.165 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.217 11.300 -12.260 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.881 9.220 -12.133 1.00 25.00 O ATOM 0 H GLU A 17 -6.835 7.204 -11.193 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.167 9.926 -11.015 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.640 8.316 -10.340 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.585 10.029 -9.974 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.869 10.300 -12.477 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.494 8.674 -12.667 1.00 25.00 H new ATOM 255 N ASN A 18 -6.315 8.347 -8.144 1.00 25.00 N ATOM 256 CA ASN A 18 -5.997 8.460 -6.717 1.00 25.00 C ATOM 257 C ASN A 18 -4.570 9.000 -6.468 1.00 25.00 C ATOM 258 O ASN A 18 -4.317 9.638 -5.453 1.00 25.00 O ATOM 259 CB ASN A 18 -6.306 7.140 -5.999 1.00 25.00 C ATOM 260 CG ASN A 18 -5.150 6.611 -5.235 1.00 25.00 C ATOM 261 OD1 ASN A 18 -5.042 6.776 -4.037 1.00 25.00 O ATOM 262 ND2 ASN A 18 -4.312 5.911 -5.910 1.00 25.00 N ATOM 0 H ASN A 18 -6.486 7.393 -8.463 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.646 9.216 -6.275 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -7.145 7.290 -5.320 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -6.619 6.398 -6.733 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -3.521 5.470 -5.441 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -4.437 5.796 -6.916 1.00 25.00 H new ATOM 269 N TYR A 19 -3.653 8.787 -7.407 1.00 25.00 N ATOM 270 CA TYR A 19 -2.287 9.329 -7.291 1.00 25.00 C ATOM 271 C TYR A 19 -2.274 10.849 -7.476 1.00 25.00 C ATOM 272 O TYR A 19 -1.353 11.514 -7.022 1.00 25.00 O ATOM 273 CB TYR A 19 -1.362 8.688 -8.333 1.00 25.00 C ATOM 274 CG TYR A 19 -0.985 7.261 -8.006 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.838 6.210 -8.352 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.219 6.955 -7.342 1.00 25.00 C ATOM 277 CE1 TYR A 19 -1.528 4.872 -8.031 1.00 25.00 C ATOM 278 CE2 TYR A 19 0.550 5.608 -7.023 1.00 25.00 C ATOM 279 CZ TYR A 19 -0.339 4.577 -7.363 1.00 25.00 C ATOM 280 OH TYR A 19 -0.066 3.268 -7.045 1.00 25.00 O ATOM 0 H TYR A 19 -3.822 8.247 -8.256 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.928 9.093 -6.289 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.852 8.712 -9.306 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.454 9.285 -8.418 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.756 6.427 -8.878 1.00 25.00 H new ATOM 0 HD2 TYR A 19 0.898 7.751 -7.072 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -2.209 4.078 -8.301 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.480 5.381 -6.522 1.00 25.00 H new ATOM 0 HH TYR A 19 0.019 2.742 -7.868 1.00 25.00 H new ATOM 290 N CYS A 20 -3.307 11.398 -8.105 1.00 25.00 N ATOM 291 CA CYS A 20 -3.425 12.847 -8.287 1.00 25.00 C ATOM 292 C CYS A 20 -4.609 13.388 -7.495 1.00 25.00 C ATOM 293 O CYS A 20 -5.371 14.247 -7.940 1.00 25.00 O ATOM 294 CB CYS A 20 -3.523 13.206 -9.773 1.00 25.00 C ATOM 295 SG CYS A 20 -4.836 12.402 -10.746 1.00 25.00 S ATOM 0 H CYS A 20 -4.080 10.862 -8.500 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.523 13.321 -7.900 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -3.659 14.285 -9.850 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.566 12.971 -10.240 1.00 25.00 H new ATOM 300 N ASN A 21 -4.727 12.901 -6.258 1.00 25.00 N ATOM 301 CA ASN A 21 -5.741 13.381 -5.312 1.00 25.00 C ATOM 302 C ASN A 21 -5.459 14.832 -4.877 1.00 25.00 C ATOM 303 O ASN A 21 -4.870 15.148 -3.861 1.00 25.00 O ATOM 304 CB ASN A 21 -5.850 12.438 -4.093 1.00 25.00 C ATOM 305 CG ASN A 21 -6.949 12.914 -3.187 1.00 25.00 C ATOM 306 OD1 ASN A 21 -8.078 13.104 -3.559 1.00 25.00 O ATOM 307 ND2 ASN A 21 -6.614 13.125 -1.923 1.00 25.00 N ATOM 308 OXT ASN A 21 -5.869 15.714 -5.739 1.00 25.00 O ATOM 0 H ASN A 21 -4.126 12.166 -5.884 1.00 25.00 H new ATOM 0 HA ASN A 21 -6.704 13.376 -5.823 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -6.053 11.420 -4.425 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -4.904 12.414 -3.553 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -7.315 13.451 -1.257 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -5.655 12.962 -1.615 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.618 3.582 -22.302 1.00 25.00 N ATOM 318 CA PHE B 1 -7.438 3.097 -21.533 1.00 25.00 C ATOM 319 C PHE B 1 -7.282 1.599 -21.722 1.00 25.00 C ATOM 320 O PHE B 1 -8.250 0.945 -22.071 1.00 25.00 O ATOM 321 CB PHE B 1 -7.617 3.438 -20.045 1.00 25.00 C ATOM 322 CG PHE B 1 -6.338 3.382 -19.249 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.421 4.454 -19.300 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.038 2.267 -18.444 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.211 4.407 -18.567 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.829 2.209 -17.706 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.915 3.280 -17.775 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.313 4.301 -22.989 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.055 2.785 -22.806 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.311 4.000 -21.648 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.537 3.589 -21.899 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.043 4.438 -19.960 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.337 2.746 -19.607 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.645 5.320 -19.905 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.737 1.446 -18.388 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.517 5.233 -18.615 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.609 1.347 -17.093 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.989 3.237 -17.221 1.00 25.00 H new ATOM 339 N VAL B 2 -6.085 1.062 -21.528 1.00 25.00 N ATOM 340 CA VAL B 2 -5.827 -0.369 -21.717 1.00 25.00 C ATOM 341 C VAL B 2 -4.960 -0.821 -20.548 1.00 25.00 C ATOM 342 O VAL B 2 -4.160 -0.035 -20.038 1.00 25.00 O ATOM 343 CB VAL B 2 -5.140 -0.651 -23.103 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.731 -0.031 -23.180 1.00 25.00 C ATOM 345 CG2 VAL B 2 -5.074 -2.158 -23.390 1.00 25.00 C ATOM 0 H VAL B 2 -5.267 1.597 -21.237 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.761 -0.931 -21.733 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.757 -0.177 -23.867 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -3.291 -0.248 -24.153 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.801 1.049 -23.046 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.104 -0.454 -22.395 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -4.594 -2.324 -24.355 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.497 -2.652 -22.608 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -6.083 -2.569 -23.411 1.00 25.00 H new ATOM 355 N ASN B 3 -5.177 -2.035 -20.061 1.00 25.00 N ATOM 356 CA ASN B 3 -4.408 -2.521 -18.918 1.00 25.00 C ATOM 357 C ASN B 3 -2.949 -2.687 -19.290 1.00 25.00 C ATOM 358 O ASN B 3 -2.618 -3.217 -20.343 1.00 25.00 O ATOM 359 CB ASN B 3 -4.927 -3.860 -18.370 1.00 25.00 C ATOM 360 CG ASN B 3 -4.653 -5.032 -19.288 1.00 25.00 C ATOM 361 OD1 ASN B 3 -3.679 -5.738 -19.108 1.00 25.00 O ATOM 362 ND2 ASN B 3 -5.533 -5.279 -20.225 1.00 25.00 N ATOM 0 H ASN B 3 -5.865 -2.692 -20.429 1.00 25.00 H new ATOM 0 HA ASN B 3 -4.523 -1.768 -18.138 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.465 -4.051 -17.401 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.001 -3.783 -18.202 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.415 -6.087 -20.836 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.337 -4.663 -20.345 1.00 25.00 H new ATOM 369 N GLN B 4 -2.087 -2.237 -18.398 1.00 25.00 N ATOM 370 CA GLN B 4 -0.659 -2.449 -18.516 1.00 25.00 C ATOM 371 C GLN B 4 -0.081 -2.250 -17.125 1.00 25.00 C ATOM 372 O GLN B 4 -0.537 -1.387 -16.374 1.00 25.00 O ATOM 373 CB GLN B 4 -0.030 -1.470 -19.525 1.00 25.00 C ATOM 374 CG GLN B 4 -0.360 -0.005 -19.272 1.00 25.00 C ATOM 375 CD GLN B 4 0.121 0.897 -20.387 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.308 1.183 -20.515 1.00 25.00 O ATOM 377 NE2 GLN B 4 -0.799 1.359 -21.194 1.00 25.00 N ATOM 0 H GLN B 4 -2.360 -1.712 -17.567 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.443 -3.450 -18.891 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.053 -1.594 -19.506 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.364 -1.737 -20.528 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -1.438 0.107 -19.158 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.094 0.310 -18.333 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -1.776 1.099 -21.056 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -0.540 1.979 -21.961 1.00 25.00 H new ATOM 386 N HIS B 5 0.928 -3.031 -16.784 1.00 25.00 N ATOM 387 CA HIS B 5 1.723 -2.752 -15.585 1.00 25.00 C ATOM 388 C HIS B 5 2.538 -1.494 -15.893 1.00 25.00 C ATOM 389 O HIS B 5 2.899 -1.258 -17.046 1.00 25.00 O ATOM 390 CB HIS B 5 2.651 -3.919 -15.246 1.00 25.00 C ATOM 391 CG HIS B 5 1.926 -5.201 -14.985 1.00 25.00 C ATOM 392 ND1 HIS B 5 0.886 -5.323 -14.078 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.065 -6.441 -15.508 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.440 -6.577 -14.107 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.143 -7.259 -14.952 1.00 25.00 N ATOM 0 H HIS B 5 1.220 -3.856 -17.308 1.00 25.00 H new ATOM 0 HA HIS B 5 1.076 -2.609 -14.720 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.351 -4.067 -16.069 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.242 -3.660 -14.368 1.00 25.00 H new ATOM 0 HD2 HIS B 5 2.795 -6.731 -16.250 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.379 -6.964 -13.518 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.022 -8.249 -15.164 1.00 25.00 H new ATOM 404 N LEU B 6 2.779 -0.669 -14.887 1.00 25.00 N ATOM 405 CA LEU B 6 3.423 0.628 -15.074 1.00 25.00 C ATOM 406 C LEU B 6 4.502 0.888 -14.031 1.00 25.00 C ATOM 407 O LEU B 6 4.219 0.910 -12.838 1.00 25.00 O ATOM 408 CB LEU B 6 2.364 1.725 -14.946 1.00 25.00 C ATOM 409 CG LEU B 6 1.269 1.788 -16.016 1.00 25.00 C ATOM 410 CD1 LEU B 6 0.121 2.653 -15.517 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.823 2.346 -17.320 1.00 25.00 C ATOM 0 H LEU B 6 2.536 -0.876 -13.918 1.00 25.00 H new ATOM 0 HA LEU B 6 3.890 0.629 -16.059 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.879 1.611 -13.977 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.877 2.687 -14.935 1.00 25.00 H new ATOM 0 HG LEU B 6 0.903 0.779 -16.208 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.658 2.698 -16.278 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.289 2.222 -14.603 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.486 3.659 -15.312 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.030 2.382 -18.066 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.208 3.351 -17.151 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.628 1.704 -17.677 1.00 25.00 H new ATOM 423 N CYS B 7 5.721 1.135 -14.489 1.00 25.00 N ATOM 424 CA CYS B 7 6.836 1.461 -13.600 1.00 25.00 C ATOM 425 C CYS B 7 7.593 2.659 -14.149 1.00 25.00 C ATOM 426 O CYS B 7 7.558 2.915 -15.355 1.00 25.00 O ATOM 427 CB CYS B 7 7.814 0.285 -13.507 1.00 25.00 C ATOM 428 SG CYS B 7 7.115 -1.222 -12.771 1.00 25.00 S ATOM 0 H CYS B 7 5.968 1.116 -15.479 1.00 25.00 H new ATOM 0 HA CYS B 7 6.429 1.681 -12.613 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.176 0.051 -14.508 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.678 0.594 -12.919 1.00 25.00 H new ATOM 433 N GLY B 8 8.320 3.348 -13.281 1.00 25.00 N ATOM 434 CA GLY B 8 9.186 4.435 -13.717 1.00 25.00 C ATOM 435 C GLY B 8 8.484 5.478 -14.560 1.00 25.00 C ATOM 436 O GLY B 8 7.376 5.916 -14.249 1.00 25.00 O ATOM 0 H GLY B 8 8.328 3.175 -12.276 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.614 4.919 -12.840 1.00 25.00 H new ATOM 0 HA3 GLY B 8 10.016 4.019 -14.288 1.00 25.00 H new ATOM 440 N SER B 9 9.121 5.846 -15.663 1.00 25.00 N ATOM 441 CA SER B 9 8.586 6.850 -16.577 1.00 25.00 C ATOM 442 C SER B 9 7.216 6.482 -17.130 1.00 25.00 C ATOM 443 O SER B 9 6.406 7.359 -17.371 1.00 25.00 O ATOM 444 CB SER B 9 9.554 7.034 -17.742 1.00 25.00 C ATOM 445 OG SER B 9 9.913 5.771 -18.280 1.00 25.00 O ATOM 0 H SER B 9 10.020 5.460 -15.950 1.00 25.00 H new ATOM 0 HA SER B 9 8.471 7.772 -16.007 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.093 7.650 -18.514 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.446 7.561 -17.404 1.00 25.00 H new ATOM 0 HG SER B 9 10.533 5.898 -19.028 1.00 25.00 H new ATOM 451 N HIS B 10 6.935 5.198 -17.313 1.00 25.00 N ATOM 452 CA HIS B 10 5.632 4.791 -17.850 1.00 25.00 C ATOM 453 C HIS B 10 4.505 5.152 -16.902 1.00 25.00 C ATOM 454 O HIS B 10 3.430 5.531 -17.338 1.00 25.00 O ATOM 455 CB HIS B 10 5.592 3.289 -18.132 1.00 25.00 C ATOM 456 CG HIS B 10 5.907 2.947 -19.553 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.966 2.434 -20.453 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.053 3.052 -20.274 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.555 2.257 -21.630 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.808 2.622 -21.542 1.00 25.00 N ATOM 0 H HIS B 10 7.574 4.430 -17.104 1.00 25.00 H new ATOM 0 HA HIS B 10 5.494 5.333 -18.786 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.303 2.784 -17.478 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.602 2.906 -17.884 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.000 3.416 -19.903 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.076 1.873 -22.518 1.00 25.00 H new ATOM 0 HE2 HIS B 10 7.490 2.590 -22.300 1.00 25.00 H new ATOM 469 N LEU B 11 4.750 5.049 -15.606 1.00 25.00 N ATOM 470 CA LEU B 11 3.724 5.373 -14.619 1.00 25.00 C ATOM 471 C LEU B 11 3.422 6.868 -14.665 1.00 25.00 C ATOM 472 O LEU B 11 2.272 7.285 -14.632 1.00 25.00 O ATOM 473 CB LEU B 11 4.197 4.952 -13.222 1.00 25.00 C ATOM 474 CG LEU B 11 3.193 5.100 -12.065 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.898 4.357 -12.333 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.823 4.550 -10.793 1.00 25.00 C ATOM 0 H LEU B 11 5.641 4.747 -15.212 1.00 25.00 H new ATOM 0 HA LEU B 11 2.808 4.829 -14.849 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.505 3.908 -13.270 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.084 5.535 -12.976 1.00 25.00 H new ATOM 0 HG LEU B 11 2.956 6.159 -11.961 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.221 4.490 -11.489 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.433 4.750 -13.237 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.108 3.296 -12.465 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.120 4.650 -9.966 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.069 3.498 -10.935 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.731 5.108 -10.566 1.00 25.00 H new ATOM 488 N VAL B 12 4.472 7.659 -14.803 1.00 25.00 N ATOM 489 CA VAL B 12 4.350 9.112 -14.892 1.00 25.00 C ATOM 490 C VAL B 12 3.638 9.509 -16.195 1.00 25.00 C ATOM 491 O VAL B 12 2.748 10.351 -16.197 1.00 25.00 O ATOM 492 CB VAL B 12 5.771 9.753 -14.821 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.719 11.261 -14.927 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.460 9.348 -13.503 1.00 25.00 C ATOM 0 H VAL B 12 5.432 7.318 -14.857 1.00 25.00 H new ATOM 0 HA VAL B 12 3.752 9.479 -14.057 1.00 25.00 H new ATOM 0 HB VAL B 12 6.343 9.381 -15.671 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.730 11.665 -14.873 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.266 11.544 -15.877 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.124 11.663 -14.107 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.452 9.798 -13.458 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.865 9.697 -12.659 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.551 8.263 -13.459 1.00 25.00 H new ATOM 504 N GLU B 13 3.998 8.860 -17.293 1.00 25.00 N ATOM 505 CA GLU B 13 3.382 9.128 -18.595 1.00 25.00 C ATOM 506 C GLU B 13 1.894 8.791 -18.566 1.00 25.00 C ATOM 507 O GLU B 13 1.078 9.479 -19.172 1.00 25.00 O ATOM 508 CB GLU B 13 4.068 8.285 -19.673 1.00 25.00 C ATOM 509 CG GLU B 13 5.456 8.801 -20.067 1.00 25.00 C ATOM 510 CD GLU B 13 6.295 7.752 -20.751 1.00 25.00 C ATOM 511 OE1 GLU B 13 5.987 6.590 -20.837 1.00 25.00 O ATOM 512 OE2 GLU B 13 7.412 8.214 -21.217 1.00 25.00 O ATOM 0 H GLU B 13 4.718 8.138 -17.313 1.00 25.00 H new ATOM 0 HA GLU B 13 3.500 10.188 -18.821 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.159 7.259 -19.316 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.434 8.259 -20.560 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.345 9.660 -20.729 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.976 9.151 -19.175 1.00 25.00 H new ATOM 520 N ALA B 14 1.547 7.736 -17.850 1.00 25.00 N ATOM 521 CA ALA B 14 0.157 7.309 -17.761 1.00 25.00 C ATOM 522 C ALA B 14 -0.656 8.316 -16.955 1.00 25.00 C ATOM 523 O ALA B 14 -1.809 8.590 -17.274 1.00 25.00 O ATOM 524 CB ALA B 14 0.080 5.937 -17.115 1.00 25.00 C ATOM 0 H ALA B 14 2.203 7.160 -17.323 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.260 7.253 -18.767 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.962 5.623 -17.051 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.639 5.220 -17.716 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.507 5.982 -16.113 1.00 25.00 H new ATOM 530 N LEU B 15 -0.057 8.859 -15.907 1.00 25.00 N ATOM 531 CA LEU B 15 -0.750 9.808 -15.046 1.00 25.00 C ATOM 532 C LEU B 15 -1.131 11.083 -15.795 1.00 25.00 C ATOM 533 O LEU B 15 -2.197 11.633 -15.544 1.00 25.00 O ATOM 534 CB LEU B 15 0.111 10.148 -13.819 1.00 25.00 C ATOM 535 CG LEU B 15 0.071 9.126 -12.668 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.165 9.405 -11.642 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.274 9.153 -11.987 1.00 25.00 C ATOM 0 H LEU B 15 0.905 8.660 -15.631 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.673 9.333 -14.714 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.145 10.260 -14.144 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.208 11.116 -13.432 1.00 25.00 H new ATOM 0 HG LEU B 15 0.241 8.139 -13.098 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.110 8.667 -10.842 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.140 9.346 -12.125 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.027 10.403 -11.225 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.286 8.425 -11.176 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.458 10.149 -11.584 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.052 8.905 -12.709 1.00 25.00 H new ATOM 549 N TYR B 16 -0.328 11.504 -16.766 1.00 25.00 N ATOM 550 CA TYR B 16 -0.684 12.675 -17.585 1.00 25.00 C ATOM 551 C TYR B 16 -2.008 12.439 -18.296 1.00 25.00 C ATOM 552 O TYR B 16 -2.839 13.329 -18.388 1.00 25.00 O ATOM 553 CB TYR B 16 0.373 12.964 -18.661 1.00 25.00 C ATOM 554 CG TYR B 16 1.592 13.699 -18.157 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.535 15.081 -17.875 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.812 13.025 -17.961 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.679 15.773 -17.388 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.956 13.714 -17.480 1.00 25.00 C ATOM 559 CZ TYR B 16 3.876 15.077 -17.193 1.00 25.00 C ATOM 560 OH TYR B 16 4.985 15.730 -16.718 1.00 25.00 O ATOM 0 H TYR B 16 0.561 11.066 -17.009 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.750 13.523 -16.904 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.690 12.020 -19.104 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.087 13.551 -19.456 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.612 15.620 -18.031 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.879 11.969 -18.180 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.623 16.829 -17.170 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.886 13.184 -17.337 1.00 25.00 H new ATOM 0 HH TYR B 16 5.729 15.097 -16.641 1.00 25.00 H new ATOM 570 N LEU B 17 -2.197 11.237 -18.814 1.00 25.00 N ATOM 571 CA LEU B 17 -3.412 10.921 -19.556 1.00 25.00 C ATOM 572 C LEU B 17 -4.635 10.802 -18.662 1.00 25.00 C ATOM 573 O LEU B 17 -5.725 11.219 -19.031 1.00 25.00 O ATOM 574 CB LEU B 17 -3.245 9.595 -20.292 1.00 25.00 C ATOM 575 CG LEU B 17 -2.108 9.505 -21.325 1.00 25.00 C ATOM 576 CD1 LEU B 17 -1.976 8.058 -21.802 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.358 10.428 -22.521 1.00 25.00 C ATOM 0 H LEU B 17 -1.532 10.467 -18.737 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.568 11.747 -20.251 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.090 8.813 -19.549 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.183 9.370 -20.800 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.183 9.828 -20.847 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.172 7.988 -22.534 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.750 7.414 -20.952 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -2.912 7.739 -22.260 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.534 10.337 -23.229 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.290 10.145 -23.010 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.428 11.460 -22.176 1.00 25.00 H new ATOM 589 N VAL B 18 -4.469 10.168 -17.512 1.00 25.00 N ATOM 590 CA VAL B 18 -5.605 9.869 -16.638 1.00 25.00 C ATOM 591 C VAL B 18 -6.035 11.087 -15.835 1.00 25.00 C ATOM 592 O VAL B 18 -7.227 11.358 -15.679 1.00 25.00 O ATOM 593 CB VAL B 18 -5.261 8.707 -15.674 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.426 8.417 -14.744 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.925 7.448 -16.475 1.00 25.00 C ATOM 0 H VAL B 18 -3.567 9.850 -17.159 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.435 9.574 -17.280 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.399 9.002 -15.076 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.163 7.597 -14.075 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.652 9.306 -14.156 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.301 8.139 -15.332 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.684 6.635 -15.790 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.782 7.166 -17.086 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.069 7.645 -17.120 1.00 25.00 H new ATOM 605 N CYS B 19 -5.073 11.838 -15.330 1.00 25.00 N ATOM 606 CA CYS B 19 -5.393 13.032 -14.566 1.00 25.00 C ATOM 607 C CYS B 19 -5.688 14.181 -15.534 1.00 25.00 C ATOM 608 O CYS B 19 -6.348 15.161 -15.171 1.00 25.00 O ATOM 609 CB CYS B 19 -4.253 13.362 -13.604 1.00 25.00 C ATOM 610 SG CYS B 19 -3.896 11.957 -12.493 1.00 25.00 S ATOM 0 H CYS B 19 -4.076 11.647 -15.432 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.283 12.866 -13.959 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.358 13.617 -14.171 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.516 14.239 -13.012 1.00 25.00 H new ATOM 615 N GLY B 20 -5.275 14.031 -16.786 1.00 25.00 N ATOM 616 CA GLY B 20 -5.585 15.025 -17.797 1.00 25.00 C ATOM 617 C GLY B 20 -4.859 16.338 -17.580 1.00 25.00 C ATOM 618 O GLY B 20 -3.803 16.399 -16.954 1.00 25.00 O ATOM 0 H GLY B 20 -4.729 13.237 -17.121 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -5.324 14.630 -18.779 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.660 15.207 -17.802 1.00 25.00 H new ATOM 622 N GLU B 21 -5.461 17.412 -18.078 1.00 25.00 N ATOM 623 CA GLU B 21 -4.887 18.759 -17.984 1.00 25.00 C ATOM 624 C GLU B 21 -4.749 19.265 -16.538 1.00 25.00 C ATOM 625 O GLU B 21 -4.077 20.261 -16.292 1.00 25.00 O ATOM 626 CB GLU B 21 -5.760 19.733 -18.793 1.00 25.00 C ATOM 627 CG GLU B 21 -5.094 21.078 -19.110 1.00 25.00 C ATOM 628 CD GLU B 21 -5.779 22.232 -18.435 1.00 25.00 C ATOM 629 OE1 GLU B 21 -6.640 22.879 -18.955 1.00 25.00 O ATOM 630 OE2 GLU B 21 -5.364 22.454 -17.227 1.00 25.00 O ATOM 0 H GLU B 21 -6.360 17.379 -18.559 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.877 18.708 -18.391 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.043 19.253 -19.730 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.680 19.920 -18.240 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.050 21.046 -18.797 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.099 21.237 -20.188 1.00 25.00 H new ATOM 638 N ARG B 22 -5.359 18.569 -15.584 1.00 25.00 N ATOM 639 CA ARG B 22 -5.240 18.935 -14.166 1.00 25.00 C ATOM 640 C ARG B 22 -3.805 18.754 -13.685 1.00 25.00 C ATOM 641 O ARG B 22 -3.392 19.370 -12.712 1.00 25.00 O ATOM 642 CB ARG B 22 -6.147 18.053 -13.302 1.00 25.00 C ATOM 643 CG ARG B 22 -7.639 18.245 -13.559 1.00 25.00 C ATOM 644 CD ARG B 22 -8.478 17.266 -12.735 1.00 25.00 C ATOM 645 NE ARG B 22 -8.336 15.883 -13.226 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.960 14.821 -12.733 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.775 14.893 -11.709 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.769 13.659 -13.289 1.00 25.00 N ATOM 0 H ARG B 22 -5.940 17.750 -15.760 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.537 19.979 -14.071 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.892 17.008 -13.477 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.942 18.260 -12.252 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.924 19.268 -13.312 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.848 18.103 -14.619 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.173 17.315 -11.690 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.527 17.561 -12.775 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.704 15.730 -14.012 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.950 15.791 -11.259 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.234 14.051 -11.362 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.146 13.574 -14.093 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.242 12.834 -12.921 1.00 25.00 H new ATOM 662 N GLY B 23 -3.064 17.886 -14.356 1.00 25.00 N ATOM 663 CA GLY B 23 -1.715 17.577 -13.927 1.00 25.00 C ATOM 664 C GLY B 23 -1.777 16.618 -12.759 1.00 25.00 C ATOM 665 O GLY B 23 -2.845 16.099 -12.433 1.00 25.00 O ATOM 0 H GLY B 23 -3.373 17.389 -15.191 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.151 17.134 -14.748 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.194 18.489 -13.638 1.00 25.00 H new ATOM 669 N PHE B 24 -0.634 16.351 -12.149 1.00 25.00 N ATOM 670 CA PHE B 24 -0.552 15.427 -11.026 1.00 25.00 C ATOM 671 C PHE B 24 0.746 15.686 -10.292 1.00 25.00 C ATOM 672 O PHE B 24 1.553 16.514 -10.712 1.00 25.00 O ATOM 673 CB PHE B 24 -0.590 13.973 -11.509 1.00 25.00 C ATOM 674 CG PHE B 24 0.531 13.610 -12.410 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.430 13.845 -13.785 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.694 13.010 -11.898 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.474 13.501 -14.641 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.745 12.649 -12.756 1.00 25.00 C ATOM 679 CZ PHE B 24 2.631 12.904 -14.138 1.00 25.00 C ATOM 0 H PHE B 24 0.259 16.765 -12.415 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.405 15.584 -10.366 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.575 13.312 -10.642 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.532 13.797 -12.028 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.465 14.297 -14.187 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.780 12.825 -10.837 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.388 13.697 -15.699 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.634 12.180 -12.361 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.437 12.638 -14.806 1.00 25.00 H new ATOM 689 N PHE B 25 0.955 14.940 -9.225 1.00 25.00 N ATOM 690 CA PHE B 25 2.156 15.020 -8.418 1.00 25.00 C ATOM 691 C PHE B 25 2.457 13.577 -8.061 1.00 25.00 C ATOM 692 O PHE B 25 1.617 12.706 -8.271 1.00 25.00 O ATOM 693 CB PHE B 25 1.892 15.854 -7.157 1.00 25.00 C ATOM 694 CG PHE B 25 0.694 15.387 -6.362 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.828 14.374 -5.390 1.00 25.00 C ATOM 696 CD2 PHE B 25 -0.576 15.957 -6.582 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.297 13.925 -4.652 1.00 25.00 C ATOM 698 CE2 PHE B 25 -1.708 15.517 -5.850 1.00 25.00 C ATOM 699 CZ PHE B 25 -1.566 14.499 -4.885 1.00 25.00 C ATOM 0 H PHE B 25 0.283 14.250 -8.889 1.00 25.00 H new ATOM 0 HA PHE B 25 2.987 15.500 -8.936 1.00 25.00 H new ATOM 0 HB2 PHE B 25 2.775 15.822 -6.519 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.743 16.895 -7.445 1.00 25.00 H new ATOM 0 HD1 PHE B 25 1.798 13.935 -5.206 1.00 25.00 H new ATOM 0 HD2 PHE B 25 -0.689 16.739 -7.318 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -0.183 13.146 -3.913 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -2.676 15.960 -6.031 1.00 25.00 H new ATOM 0 HZ PHE B 25 -2.425 14.159 -4.326 1.00 25.00 H new ATOM 709 N TYR B 26 3.631 13.315 -7.512 1.00 25.00 N ATOM 710 CA TYR B 26 3.966 11.975 -7.056 1.00 25.00 C ATOM 711 C TYR B 26 4.870 12.136 -5.849 1.00 25.00 C ATOM 712 O TYR B 26 5.806 12.924 -5.887 1.00 25.00 O ATOM 713 CB TYR B 26 4.664 11.184 -8.164 1.00 25.00 C ATOM 714 CG TYR B 26 4.538 9.689 -7.985 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.423 8.979 -7.151 1.00 25.00 C ATOM 716 CD2 TYR B 26 3.517 8.974 -8.641 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.285 7.580 -6.965 1.00 25.00 C ATOM 718 CE2 TYR B 26 3.384 7.574 -8.471 1.00 25.00 C ATOM 719 CZ TYR B 26 4.265 6.890 -7.628 1.00 25.00 C ATOM 720 OH TYR B 26 4.120 5.537 -7.459 1.00 25.00 O ATOM 0 H TYR B 26 4.366 14.008 -7.371 1.00 25.00 H new ATOM 0 HA TYR B 26 3.068 11.417 -6.792 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.241 11.467 -9.128 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.720 11.455 -8.188 1.00 25.00 H new ATOM 0 HD1 TYR B 26 6.218 9.507 -6.646 1.00 25.00 H new ATOM 0 HD2 TYR B 26 2.826 9.501 -9.283 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.965 7.050 -6.314 1.00 25.00 H new ATOM 0 HE2 TYR B 26 2.605 7.037 -8.991 1.00 25.00 H new ATOM 0 HH TYR B 26 3.176 5.294 -7.559 1.00 25.00 H new ATOM 730 N THR B 27 4.560 11.443 -4.764 1.00 25.00 N ATOM 731 CA THR B 27 5.308 11.605 -3.513 1.00 25.00 C ATOM 732 C THR B 27 5.725 10.243 -2.924 1.00 25.00 C ATOM 733 O THR B 27 5.002 9.604 -2.145 1.00 25.00 O ATOM 734 CB THR B 27 4.507 12.461 -2.498 1.00 25.00 C ATOM 735 OG1 THR B 27 5.050 12.309 -1.184 1.00 25.00 O ATOM 736 CG2 THR B 27 3.047 12.070 -2.487 1.00 25.00 C ATOM 0 H THR B 27 3.800 10.764 -4.718 1.00 25.00 H new ATOM 0 HA THR B 27 6.229 12.143 -3.737 1.00 25.00 H new ATOM 0 HB THR B 27 4.586 13.503 -2.807 1.00 25.00 H new ATOM 0 HG1 THR B 27 4.537 12.855 -0.553 1.00 25.00 H new ATOM 0 HG21 THR B 27 2.511 12.687 -1.766 1.00 25.00 H new ATOM 0 HG22 THR B 27 2.623 12.220 -3.480 1.00 25.00 H new ATOM 0 HG23 THR B 27 2.953 11.021 -2.207 1.00 25.00 H new ATOM 744 N PRO B 28 6.887 9.740 -3.357 1.00 25.00 N ATOM 745 CA PRO B 28 7.373 8.475 -2.816 1.00 25.00 C ATOM 746 C PRO B 28 8.040 8.689 -1.460 1.00 25.00 C ATOM 747 O PRO B 28 8.598 9.743 -1.187 1.00 25.00 O ATOM 748 CB PRO B 28 8.383 8.027 -3.870 1.00 25.00 C ATOM 749 CG PRO B 28 8.963 9.300 -4.364 1.00 25.00 C ATOM 750 CD PRO B 28 7.826 10.310 -4.337 1.00 25.00 C ATOM 0 HA PRO B 28 6.586 7.741 -2.639 1.00 25.00 H new ATOM 0 HB2 PRO B 28 9.147 7.378 -3.442 1.00 25.00 H new ATOM 0 HB3 PRO B 28 7.903 7.468 -4.673 1.00 25.00 H new ATOM 0 HG2 PRO B 28 9.790 9.625 -3.732 1.00 25.00 H new ATOM 0 HG3 PRO B 28 9.359 9.184 -5.373 1.00 25.00 H new ATOM 0 HD2 PRO B 28 8.173 11.298 -4.034 1.00 25.00 H new ATOM 0 HD3 PRO B 28 7.364 10.422 -5.318 1.00 25.00 H new ATOM 758 N LYS B 29 7.992 7.677 -0.612 1.00 25.00 N ATOM 759 CA LYS B 29 8.625 7.731 0.695 1.00 25.00 C ATOM 760 C LYS B 29 8.934 6.306 1.102 1.00 25.00 C ATOM 761 O LYS B 29 8.188 5.380 0.774 1.00 25.00 O ATOM 762 CB LYS B 29 7.718 8.433 1.714 1.00 25.00 C ATOM 763 CG LYS B 29 6.271 7.936 1.767 1.00 25.00 C ATOM 764 CD LYS B 29 5.444 8.835 2.687 1.00 25.00 C ATOM 765 CE LYS B 29 3.972 8.435 2.699 1.00 25.00 C ATOM 766 NZ LYS B 29 3.764 7.083 3.320 1.00 25.00 N ATOM 0 H LYS B 29 7.515 6.797 -0.808 1.00 25.00 H new ATOM 0 HA LYS B 29 9.545 8.314 0.657 1.00 25.00 H new ATOM 0 HB2 LYS B 29 8.159 8.319 2.704 1.00 25.00 H new ATOM 0 HB3 LYS B 29 7.709 9.500 1.490 1.00 25.00 H new ATOM 0 HG2 LYS B 29 5.842 7.933 0.765 1.00 25.00 H new ATOM 0 HG3 LYS B 29 6.244 6.908 2.128 1.00 25.00 H new ATOM 0 HD2 LYS B 29 5.843 8.783 3.700 1.00 25.00 H new ATOM 0 HD3 LYS B 29 5.536 9.871 2.361 1.00 25.00 H new ATOM 0 HE2 LYS B 29 3.398 9.180 3.250 1.00 25.00 H new ATOM 0 HE3 LYS B 29 3.589 8.429 1.678 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 2.746 6.877 3.371 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 4.235 6.359 2.741 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 4.167 7.076 4.279 1.00 25.00 H new ATOM 780 N THR B 30 10.081 6.127 1.752 1.00 25.00 N ATOM 781 CA THR B 30 10.604 4.803 2.133 1.00 25.00 C ATOM 782 C THR B 30 11.670 4.876 3.232 1.00 25.00 C ATOM 783 O THR B 30 12.049 3.922 3.866 1.00 25.00 O ATOM 784 CB THR B 30 11.150 4.049 0.888 1.00 25.00 C ATOM 785 OG1 THR B 30 11.495 2.719 1.241 1.00 25.00 O ATOM 786 CG2 THR B 30 12.383 4.735 0.276 1.00 25.00 C ATOM 787 OXT THR B 30 12.150 6.059 3.451 1.00 25.00 O ATOM 0 H THR B 30 10.684 6.899 2.035 1.00 25.00 H new ATOM 0 HA THR B 30 9.765 4.244 2.548 1.00 25.00 H new ATOM 0 HB THR B 30 10.356 4.056 0.142 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.716 2.681 2.195 1.00 25.00 H new ATOM 0 HG21 THR B 30 12.723 4.167 -0.590 1.00 25.00 H new ATOM 0 HG22 THR B 30 12.120 5.746 -0.034 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.181 4.778 1.017 1.00 25.00 H new TER 796 THR B 30