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 Set 1.1: A 1 GLY N :NH3+ -116:sc= 0.0659 (180deg=0.00462) USER MOD Set 1.2: A 5 GLN : amide:sc= -0.121 K(o=-0.055,f=-2!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.237 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.096 K(o=-0.096,f=-1.5!) USER MOD Single : A 18 ASN : amide:sc= 0.111 X(o=0.11,f=-0.0082) USER MOD Single : A 19 TYR OH : rot 13:sc= 0.106 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -114:sc= 0.115 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.654 K(o=0.65,f=-3.1!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0897 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 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 53:sc= 0.0526 USER MOD Single : B 29 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.101) USER MOD Single : B 30 THR OG1 : rot 59:sc= 0.0836 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.269 -1.355 -1.530 1.00 25.00 N ATOM 2 CA GLY A 1 2.143 0.121 -1.748 1.00 25.00 C ATOM 3 C GLY A 1 1.682 0.430 -3.150 1.00 25.00 C ATOM 4 O GLY A 1 1.883 -0.392 -4.025 1.00 25.00 O ATOM 0 H1 GLY A 1 1.587 -1.659 -0.806 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.075 -1.855 -2.421 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.234 -1.578 -1.211 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.436 0.538 -1.030 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.104 0.601 -1.565 1.00 25.00 H new ATOM 10 N ILE A 2 1.058 1.580 -3.377 1.00 25.00 N ATOM 11 CA ILE A 2 0.417 1.863 -4.672 1.00 25.00 C ATOM 12 C ILE A 2 1.365 1.754 -5.882 1.00 25.00 C ATOM 13 O ILE A 2 1.025 1.122 -6.871 1.00 25.00 O ATOM 14 CB ILE A 2 -0.338 3.243 -4.626 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.284 3.362 -5.836 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.650 4.448 -4.527 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.205 4.597 -5.806 1.00 25.00 C ATOM 0 H ILE A 2 0.978 2.332 -2.692 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.317 1.073 -4.831 1.00 25.00 H new ATOM 0 HB ILE A 2 -0.940 3.277 -3.718 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.686 3.392 -6.747 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.901 2.465 -5.889 1.00 25.00 H new ATOM 0 HG21 ILE A 2 0.085 5.380 -4.498 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.246 4.356 -3.619 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.309 4.450 -5.395 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.836 4.602 -6.694 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -2.832 4.562 -4.915 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.599 5.503 -5.787 1.00 25.00 H new ATOM 29 N VAL A 3 2.579 2.281 -5.780 1.00 25.00 N ATOM 30 CA VAL A 3 3.536 2.179 -6.886 1.00 25.00 C ATOM 31 C VAL A 3 3.936 0.726 -7.129 1.00 25.00 C ATOM 32 O VAL A 3 3.999 0.281 -8.261 1.00 25.00 O ATOM 33 CB VAL A 3 4.783 3.101 -6.648 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.451 2.826 -5.277 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.804 2.947 -7.784 1.00 25.00 C ATOM 0 H VAL A 3 2.925 2.777 -4.958 1.00 25.00 H new ATOM 0 HA VAL A 3 3.046 2.536 -7.792 1.00 25.00 H new ATOM 0 HB VAL A 3 4.425 4.130 -6.640 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.310 3.485 -5.152 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.732 3.011 -4.479 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.781 1.788 -5.235 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.659 3.596 -7.595 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.139 1.911 -7.834 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.340 3.224 -8.730 1.00 25.00 H new ATOM 45 N GLU A 4 4.127 -0.030 -6.062 1.00 25.00 N ATOM 46 CA GLU A 4 4.482 -1.441 -6.171 1.00 25.00 C ATOM 47 C GLU A 4 3.362 -2.202 -6.875 1.00 25.00 C ATOM 48 O GLU A 4 3.610 -3.030 -7.742 1.00 25.00 O ATOM 49 CB GLU A 4 4.695 -2.006 -4.767 1.00 25.00 C ATOM 50 CG GLU A 4 5.197 -3.434 -4.696 1.00 25.00 C ATOM 51 CD GLU A 4 5.191 -3.962 -3.289 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.646 -3.393 -2.364 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.807 -5.080 -3.155 1.00 25.00 O ATOM 0 H GLU A 4 4.042 0.309 -5.104 1.00 25.00 H new ATOM 0 HA GLU A 4 5.398 -1.549 -6.752 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.404 -1.366 -4.243 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.751 -1.946 -4.225 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.573 -4.070 -5.325 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.209 -3.483 -5.098 1.00 25.00 H new ATOM 61 N GLN A 5 2.127 -1.895 -6.504 1.00 25.00 N ATOM 62 CA GLN A 5 0.960 -2.553 -7.078 1.00 25.00 C ATOM 63 C GLN A 5 0.828 -2.240 -8.565 1.00 25.00 C ATOM 64 O GLN A 5 0.501 -3.123 -9.343 1.00 25.00 O ATOM 65 CB GLN A 5 -0.302 -2.125 -6.320 1.00 25.00 C ATOM 66 CG GLN A 5 -0.383 -2.726 -4.911 1.00 25.00 C ATOM 67 CD GLN A 5 -1.271 -1.928 -3.978 1.00 25.00 C ATOM 68 OE1 GLN A 5 -0.787 -1.266 -3.064 1.00 25.00 O ATOM 69 NE2 GLN A 5 -2.559 -1.998 -4.184 1.00 25.00 N ATOM 0 H GLN A 5 1.906 -1.189 -5.802 1.00 25.00 H new ATOM 0 HA GLN A 5 1.086 -3.631 -6.978 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.325 -1.038 -6.248 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.182 -2.426 -6.889 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.760 -3.747 -4.978 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.620 -2.784 -4.488 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.923 -2.559 -4.954 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.201 -1.492 -3.574 1.00 25.00 H new ATOM 78 N CYS A 6 1.123 -1.013 -8.971 1.00 25.00 N ATOM 79 CA CYS A 6 1.053 -0.662 -10.391 1.00 25.00 C ATOM 80 C CYS A 6 2.223 -1.249 -11.174 1.00 25.00 C ATOM 81 O CYS A 6 2.085 -1.573 -12.349 1.00 25.00 O ATOM 82 CB CYS A 6 1.024 0.860 -10.574 1.00 25.00 C ATOM 83 SG CYS A 6 -0.390 1.696 -9.769 1.00 25.00 S ATOM 0 H CYS A 6 1.409 -0.253 -8.354 1.00 25.00 H new ATOM 0 HA CYS A 6 0.130 -1.089 -10.782 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.950 1.278 -10.179 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.003 1.084 -11.640 1.00 25.00 H new ATOM 88 N CYS A 7 3.371 -1.397 -10.528 1.00 25.00 N ATOM 89 CA CYS A 7 4.538 -1.967 -11.190 1.00 25.00 C ATOM 90 C CYS A 7 4.338 -3.458 -11.457 1.00 25.00 C ATOM 91 O CYS A 7 4.626 -3.941 -12.545 1.00 25.00 O ATOM 92 CB CYS A 7 5.796 -1.774 -10.336 1.00 25.00 C ATOM 93 SG CYS A 7 6.387 -0.049 -10.268 1.00 25.00 S ATOM 0 H CYS A 7 3.520 -1.133 -9.554 1.00 25.00 H new ATOM 0 HA CYS A 7 4.664 -1.446 -12.139 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.591 -2.118 -9.322 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.592 -2.405 -10.732 1.00 25.00 H new ATOM 98 N THR A 8 3.893 -4.193 -10.444 1.00 25.00 N ATOM 99 CA THR A 8 3.776 -5.652 -10.556 1.00 25.00 C ATOM 100 C THR A 8 2.433 -6.122 -11.122 1.00 25.00 C ATOM 101 O THR A 8 2.342 -7.204 -11.698 1.00 25.00 O ATOM 102 CB THR A 8 4.048 -6.331 -9.174 1.00 25.00 C ATOM 103 OG1 THR A 8 4.346 -7.716 -9.364 1.00 25.00 O ATOM 104 CG2 THR A 8 2.857 -6.237 -8.231 1.00 25.00 C ATOM 0 H THR A 8 3.608 -3.812 -9.542 1.00 25.00 H new ATOM 0 HA THR A 8 4.535 -5.960 -11.275 1.00 25.00 H new ATOM 0 HB THR A 8 4.889 -5.800 -8.728 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.517 -8.136 -8.495 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.101 -6.724 -7.287 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.620 -5.189 -8.048 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.996 -6.730 -8.682 1.00 25.00 H new ATOM 112 N SER A 9 1.389 -5.316 -10.978 1.00 25.00 N ATOM 113 CA SER A 9 0.057 -5.710 -11.423 1.00 25.00 C ATOM 114 C SER A 9 -0.645 -4.540 -12.105 1.00 25.00 C ATOM 115 O SER A 9 0.001 -3.589 -12.516 1.00 25.00 O ATOM 116 CB SER A 9 -0.764 -6.240 -10.241 1.00 25.00 C ATOM 117 OG SER A 9 -1.902 -6.962 -10.694 1.00 25.00 O ATOM 0 H SER A 9 1.438 -4.388 -10.558 1.00 25.00 H new ATOM 0 HA SER A 9 0.153 -6.513 -12.153 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.142 -6.886 -9.622 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.083 -5.408 -9.613 1.00 25.00 H new ATOM 0 HG SER A 9 -2.409 -7.291 -9.923 1.00 25.00 H new ATOM 123 N ILE A 10 -1.927 -4.681 -12.385 1.00 25.00 N ATOM 124 CA ILE A 10 -2.633 -3.709 -13.215 1.00 25.00 C ATOM 125 C ILE A 10 -3.292 -2.628 -12.367 1.00 25.00 C ATOM 126 O ILE A 10 -4.144 -2.911 -11.529 1.00 25.00 O ATOM 127 CB ILE A 10 -3.739 -4.405 -14.075 1.00 25.00 C ATOM 128 CG1 ILE A 10 -3.155 -5.562 -14.920 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.449 -3.372 -14.984 1.00 25.00 C ATOM 130 CD1 ILE A 10 -2.177 -5.146 -16.020 1.00 25.00 C ATOM 0 H ILE A 10 -2.504 -5.454 -12.054 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.888 -3.254 -13.868 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.473 -4.832 -13.391 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.648 -6.257 -14.251 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.981 -6.106 -15.379 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -5.215 -3.873 -15.575 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.913 -2.602 -14.367 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.720 -2.912 -15.651 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.828 -6.032 -16.551 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.679 -4.478 -16.720 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.326 -4.631 -15.574 1.00 25.00 H new ATOM 142 N CYS A 11 -2.957 -1.378 -12.657 1.00 25.00 N ATOM 143 CA CYS A 11 -3.656 -0.243 -12.068 1.00 25.00 C ATOM 144 C CYS A 11 -4.576 0.327 -13.136 1.00 25.00 C ATOM 145 O CYS A 11 -4.131 0.737 -14.206 1.00 25.00 O ATOM 146 CB CYS A 11 -2.675 0.823 -11.584 1.00 25.00 C ATOM 147 SG CYS A 11 -1.950 0.411 -9.968 1.00 25.00 S ATOM 0 H CYS A 11 -2.205 -1.124 -13.297 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.226 -0.567 -11.197 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.878 0.940 -12.318 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.189 1.782 -11.515 1.00 25.00 H new ATOM 152 N SER A 12 -5.868 0.328 -12.847 1.00 25.00 N ATOM 153 CA SER A 12 -6.857 0.903 -13.748 1.00 25.00 C ATOM 154 C SER A 12 -6.771 2.414 -13.607 1.00 25.00 C ATOM 155 O SER A 12 -6.128 2.913 -12.687 1.00 25.00 O ATOM 156 CB SER A 12 -8.254 0.421 -13.359 1.00 25.00 C ATOM 157 OG SER A 12 -8.561 0.829 -12.036 1.00 25.00 O ATOM 0 H SER A 12 -6.259 -0.065 -11.991 1.00 25.00 H new ATOM 0 HA SER A 12 -6.667 0.600 -14.778 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.992 0.824 -14.052 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.306 -0.665 -13.434 1.00 25.00 H new ATOM 0 HG SER A 12 -9.459 0.517 -11.797 1.00 25.00 H new ATOM 163 N LEU A 13 -7.447 3.148 -14.477 1.00 25.00 N ATOM 164 CA LEU A 13 -7.432 4.611 -14.408 1.00 25.00 C ATOM 165 C LEU A 13 -7.944 5.121 -13.054 1.00 25.00 C ATOM 166 O LEU A 13 -7.505 6.149 -12.575 1.00 25.00 O ATOM 167 CB LEU A 13 -8.248 5.208 -15.566 1.00 25.00 C ATOM 168 CG LEU A 13 -9.778 5.017 -15.530 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.468 6.267 -14.988 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.300 4.703 -16.926 1.00 25.00 C ATOM 0 H LEU A 13 -8.010 2.764 -15.236 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.397 4.940 -14.505 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.043 6.278 -15.606 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.877 4.778 -16.496 1.00 25.00 H new ATOM 0 HG LEU A 13 -10.002 4.182 -14.866 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.546 6.109 -14.972 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.115 6.468 -13.976 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.235 7.118 -15.629 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.381 4.570 -16.889 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -10.059 5.526 -17.598 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.834 3.788 -17.291 1.00 25.00 H new ATOM 182 N TYR A 14 -8.831 4.370 -12.416 1.00 25.00 N ATOM 183 CA TYR A 14 -9.369 4.760 -11.115 1.00 25.00 C ATOM 184 C TYR A 14 -8.307 4.649 -10.028 1.00 25.00 C ATOM 185 O TYR A 14 -8.194 5.507 -9.166 1.00 25.00 O ATOM 186 CB TYR A 14 -10.558 3.866 -10.767 1.00 25.00 C ATOM 187 CG TYR A 14 -11.528 3.721 -11.914 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.445 4.747 -12.225 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.531 2.557 -12.713 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.346 4.615 -13.316 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.423 2.426 -13.809 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.320 3.457 -14.098 1.00 25.00 C ATOM 193 OH TYR A 14 -14.178 3.325 -15.159 1.00 25.00 O ATOM 0 H TYR A 14 -9.195 3.487 -12.776 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.692 5.800 -11.172 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.194 2.880 -10.476 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.080 4.281 -9.904 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.462 5.645 -11.626 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.844 1.755 -12.487 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -14.047 5.405 -13.540 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.408 1.533 -14.417 1.00 25.00 H new ATOM 0 HH TYR A 14 -14.027 2.461 -15.596 1.00 25.00 H new ATOM 203 N GLN A 15 -7.492 3.604 -10.105 1.00 25.00 N ATOM 204 CA GLN A 15 -6.409 3.410 -9.145 1.00 25.00 C ATOM 205 C GLN A 15 -5.365 4.498 -9.357 1.00 25.00 C ATOM 206 O GLN A 15 -4.783 5.019 -8.413 1.00 25.00 O ATOM 207 CB GLN A 15 -5.764 2.031 -9.340 1.00 25.00 C ATOM 208 CG GLN A 15 -6.709 0.847 -9.088 1.00 25.00 C ATOM 209 CD GLN A 15 -6.978 0.614 -7.610 1.00 25.00 C ATOM 210 OE1 GLN A 15 -7.561 1.441 -6.937 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.556 -0.517 -7.110 1.00 25.00 N ATOM 0 H GLN A 15 -7.559 2.879 -10.819 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.808 3.466 -8.132 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.380 1.964 -10.358 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.908 1.946 -8.671 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.654 1.026 -9.601 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.277 -0.055 -9.521 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -6.070 -1.188 -7.705 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.713 -0.729 -6.125 1.00 25.00 H new ATOM 220 N LEU A 16 -5.157 4.853 -10.614 1.00 25.00 N ATOM 221 CA LEU A 16 -4.211 5.896 -10.985 1.00 25.00 C ATOM 222 C LEU A 16 -4.670 7.287 -10.528 1.00 25.00 C ATOM 223 O LEU A 16 -3.845 8.114 -10.181 1.00 25.00 O ATOM 224 CB LEU A 16 -3.958 5.856 -12.492 1.00 25.00 C ATOM 225 CG LEU A 16 -3.184 4.603 -12.946 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.234 4.459 -14.453 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.723 4.645 -12.490 1.00 25.00 C ATOM 0 H LEU A 16 -5.638 4.428 -11.407 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.273 5.699 -10.466 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.913 5.894 -13.015 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.399 6.745 -12.784 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.667 3.743 -12.482 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.681 3.568 -14.752 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.271 4.368 -14.776 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.785 5.337 -14.917 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.210 3.745 -12.829 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.235 5.522 -12.914 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.683 4.698 -11.402 1.00 25.00 H new ATOM 239 N GLU A 17 -5.972 7.545 -10.509 1.00 25.00 N ATOM 240 CA GLU A 17 -6.482 8.848 -10.051 1.00 25.00 C ATOM 241 C GLU A 17 -6.066 9.175 -8.613 1.00 25.00 C ATOM 242 O GLU A 17 -5.952 10.339 -8.260 1.00 25.00 O ATOM 243 CB GLU A 17 -8.015 8.902 -10.140 1.00 25.00 C ATOM 244 CG GLU A 17 -8.566 9.154 -11.542 1.00 25.00 C ATOM 245 CD GLU A 17 -8.559 10.613 -11.913 1.00 25.00 C ATOM 246 OE1 GLU A 17 -9.557 11.265 -12.087 1.00 25.00 O ATOM 247 OE2 GLU A 17 -7.381 11.109 -12.051 1.00 25.00 O ATOM 0 H GLU A 17 -6.692 6.884 -10.800 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.039 9.590 -10.715 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.420 7.960 -9.769 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.376 9.687 -9.476 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.974 8.596 -12.267 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.585 8.773 -11.602 1.00 25.00 H new ATOM 255 N ASN A 18 -5.789 8.157 -7.807 1.00 25.00 N ATOM 256 CA ASN A 18 -5.335 8.364 -6.425 1.00 25.00 C ATOM 257 C ASN A 18 -4.017 9.149 -6.354 1.00 25.00 C ATOM 258 O ASN A 18 -3.723 9.787 -5.350 1.00 25.00 O ATOM 259 CB ASN A 18 -5.164 7.026 -5.705 1.00 25.00 C ATOM 260 CG ASN A 18 -6.475 6.327 -5.466 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.365 6.860 -4.836 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.593 5.127 -5.959 1.00 25.00 N ATOM 0 H ASN A 18 -5.869 7.178 -8.081 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.107 8.954 -5.930 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.514 6.380 -6.295 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.666 7.192 -4.750 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.456 4.602 -5.821 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.822 4.713 -6.483 1.00 25.00 H new ATOM 269 N TYR A 19 -3.206 9.059 -7.400 1.00 25.00 N ATOM 270 CA TYR A 19 -1.926 9.774 -7.448 1.00 25.00 C ATOM 271 C TYR A 19 -2.136 11.284 -7.610 1.00 25.00 C ATOM 272 O TYR A 19 -1.245 12.070 -7.292 1.00 25.00 O ATOM 273 CB TYR A 19 -1.098 9.288 -8.634 1.00 25.00 C ATOM 274 CG TYR A 19 -0.463 7.925 -8.470 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.173 6.748 -8.778 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.873 7.810 -8.038 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.554 5.481 -8.675 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.491 6.540 -7.927 1.00 25.00 C ATOM 279 CZ TYR A 19 0.768 5.394 -8.257 1.00 25.00 C ATOM 280 OH TYR A 19 1.366 4.172 -8.169 1.00 25.00 O ATOM 0 H TYR A 19 -3.407 8.500 -8.229 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.410 9.576 -6.508 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.737 9.268 -9.517 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.310 10.016 -8.827 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.203 6.814 -9.097 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.432 8.700 -7.789 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.106 4.586 -8.920 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.514 6.460 -7.590 1.00 25.00 H new ATOM 0 HH TYR A 19 0.812 3.503 -8.623 1.00 25.00 H new ATOM 290 N CYS A 20 -3.294 11.690 -8.115 1.00 25.00 N ATOM 291 CA CYS A 20 -3.593 13.110 -8.315 1.00 25.00 C ATOM 292 C CYS A 20 -4.095 13.737 -7.013 1.00 25.00 C ATOM 293 O CYS A 20 -5.253 14.126 -6.887 1.00 25.00 O ATOM 294 CB CYS A 20 -4.661 13.294 -9.393 1.00 25.00 C ATOM 295 SG CYS A 20 -4.213 12.673 -11.046 1.00 25.00 S ATOM 0 H CYS A 20 -4.045 11.059 -8.395 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.673 13.601 -8.631 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.572 12.791 -9.068 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.894 14.356 -9.473 1.00 25.00 H new ATOM 300 N ASN A 21 -3.206 13.827 -6.029 1.00 25.00 N ATOM 301 CA ASN A 21 -3.535 14.430 -4.736 1.00 25.00 C ATOM 302 C ASN A 21 -3.746 15.940 -4.849 1.00 25.00 C ATOM 303 O ASN A 21 -3.093 16.683 -5.549 1.00 25.00 O ATOM 304 CB ASN A 21 -2.458 14.091 -3.692 1.00 25.00 C ATOM 305 CG ASN A 21 -2.743 14.787 -2.395 1.00 25.00 C ATOM 306 OD1 ASN A 21 -2.192 15.798 -2.046 1.00 25.00 O ATOM 307 ND2 ASN A 21 -3.648 14.214 -1.613 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.728 16.381 -4.137 1.00 25.00 O ATOM 0 H ASN A 21 -2.246 13.489 -6.100 1.00 25.00 H new ATOM 0 HA ASN A 21 -4.481 14.003 -4.402 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -2.425 13.013 -3.533 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -1.477 14.389 -4.063 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -3.880 14.630 -0.711 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -4.112 13.357 -1.913 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -9.308 3.181 -22.168 1.00 25.00 N ATOM 318 CA PHE B 1 -8.048 2.909 -21.421 1.00 25.00 C ATOM 319 C PHE B 1 -7.611 1.478 -21.658 1.00 25.00 C ATOM 320 O PHE B 1 -8.452 0.651 -21.966 1.00 25.00 O ATOM 321 CB PHE B 1 -8.275 3.156 -19.923 1.00 25.00 C ATOM 322 CG PHE B 1 -7.003 3.240 -19.121 1.00 25.00 C ATOM 323 CD1 PHE B 1 -6.260 4.438 -19.092 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.537 2.127 -18.393 1.00 25.00 C ATOM 325 CE1 PHE B 1 -5.056 4.524 -18.354 1.00 25.00 C ATOM 326 CE2 PHE B 1 -5.331 2.204 -17.650 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.590 3.404 -17.638 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.125 3.882 -22.914 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.654 2.300 -22.598 1.00 25.00 H new ATOM 0 H3 PHE B 1 -10.026 3.552 -21.514 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.263 3.578 -21.775 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.834 4.083 -19.798 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.894 2.354 -19.522 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.614 5.299 -19.639 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -7.103 1.207 -18.401 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.495 5.447 -18.340 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.981 1.346 -17.095 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.667 3.464 -17.081 1.00 25.00 H new ATOM 339 N VAL B 2 -6.319 1.185 -21.554 1.00 25.00 N ATOM 340 CA VAL B 2 -5.807 -0.167 -21.800 1.00 25.00 C ATOM 341 C VAL B 2 -5.038 -0.632 -20.572 1.00 25.00 C ATOM 342 O VAL B 2 -4.186 0.093 -20.058 1.00 25.00 O ATOM 343 CB VAL B 2 -4.858 -0.196 -23.045 1.00 25.00 C ATOM 344 CG1 VAL B 2 -4.335 -1.620 -23.309 1.00 25.00 C ATOM 345 CG2 VAL B 2 -5.598 0.319 -24.294 1.00 25.00 C ATOM 0 H VAL B 2 -5.602 1.865 -21.301 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.650 -0.828 -21.999 1.00 25.00 H new ATOM 0 HB VAL B 2 -4.009 0.454 -22.832 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -3.678 -1.611 -24.179 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.780 -1.971 -22.439 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -5.176 -2.288 -23.496 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -4.926 0.293 -25.152 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.463 -0.314 -24.492 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.930 1.343 -24.124 1.00 25.00 H new ATOM 355 N ASN B 3 -5.345 -1.830 -20.100 1.00 25.00 N ATOM 356 CA ASN B 3 -4.649 -2.412 -18.958 1.00 25.00 C ATOM 357 C ASN B 3 -3.207 -2.713 -19.306 1.00 25.00 C ATOM 358 O ASN B 3 -2.926 -3.413 -20.269 1.00 25.00 O ATOM 359 CB ASN B 3 -5.289 -3.735 -18.511 1.00 25.00 C ATOM 360 CG ASN B 3 -5.738 -4.607 -19.675 1.00 25.00 C ATOM 361 OD1 ASN B 3 -6.630 -4.242 -20.428 1.00 25.00 O ATOM 362 ND2 ASN B 3 -5.151 -5.765 -19.803 1.00 25.00 N ATOM 0 H ASN B 3 -6.076 -2.423 -20.492 1.00 25.00 H new ATOM 0 HA ASN B 3 -4.714 -1.677 -18.156 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.574 -4.290 -17.904 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.147 -3.519 -17.875 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.433 -6.400 -20.550 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -4.410 -6.036 -19.156 1.00 25.00 H new ATOM 369 N GLN B 4 -2.303 -2.241 -18.470 1.00 25.00 N ATOM 370 CA GLN B 4 -0.895 -2.540 -18.608 1.00 25.00 C ATOM 371 C GLN B 4 -0.279 -2.291 -17.244 1.00 25.00 C ATOM 372 O GLN B 4 -0.749 -1.441 -16.487 1.00 25.00 O ATOM 373 CB GLN B 4 -0.244 -1.645 -19.681 1.00 25.00 C ATOM 374 CG GLN B 4 -0.368 -0.142 -19.418 1.00 25.00 C ATOM 375 CD GLN B 4 0.093 0.694 -20.596 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.232 1.148 -20.654 1.00 25.00 O ATOM 377 NE2 GLN B 4 -0.796 0.918 -21.528 1.00 25.00 N ATOM 0 H GLN B 4 -2.526 -1.640 -17.677 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.738 -3.569 -18.931 1.00 25.00 H new ATOM 0 HB2 GLN B 4 0.813 -1.901 -19.757 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.697 -1.870 -20.647 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -1.406 0.099 -19.190 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.221 0.119 -18.539 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -1.733 0.523 -21.445 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -0.553 1.487 -22.339 1.00 25.00 H new ATOM 386 N HIS B 5 0.759 -3.042 -16.934 1.00 25.00 N ATOM 387 CA HIS B 5 1.571 -2.762 -15.747 1.00 25.00 C ATOM 388 C HIS B 5 2.292 -1.440 -16.007 1.00 25.00 C ATOM 389 O HIS B 5 2.644 -1.145 -17.149 1.00 25.00 O ATOM 390 CB HIS B 5 2.585 -3.881 -15.506 1.00 25.00 C ATOM 391 CG HIS B 5 1.958 -5.229 -15.349 1.00 25.00 C ATOM 392 ND1 HIS B 5 0.911 -5.484 -14.483 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.208 -6.421 -15.937 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.570 -6.764 -14.578 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.345 -7.344 -15.442 1.00 25.00 N ATOM 0 H HIS B 5 1.066 -3.848 -17.478 1.00 25.00 H new ATOM 0 HA HIS B 5 0.943 -2.700 -14.858 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.287 -3.910 -16.339 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.162 -3.651 -14.611 1.00 25.00 H new ATOM 0 HD2 HIS B 5 2.970 -6.608 -16.679 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.224 -7.244 -14.025 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.311 -8.329 -15.705 1.00 25.00 H new ATOM 404 N LEU B 6 2.479 -0.637 -14.972 1.00 25.00 N ATOM 405 CA LEU B 6 3.062 0.696 -15.114 1.00 25.00 C ATOM 406 C LEU B 6 4.094 0.950 -14.031 1.00 25.00 C ATOM 407 O LEU B 6 3.769 0.966 -12.851 1.00 25.00 O ATOM 408 CB LEU B 6 1.956 1.747 -14.995 1.00 25.00 C ATOM 409 CG LEU B 6 0.955 1.803 -16.154 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.250 2.619 -15.739 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.605 2.404 -17.403 1.00 25.00 C ATOM 0 H LEU B 6 2.234 -0.885 -14.013 1.00 25.00 H new ATOM 0 HA LEU B 6 3.546 0.759 -16.089 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.404 1.562 -14.073 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.423 2.727 -14.896 1.00 25.00 H new ATOM 0 HG LEU B 6 0.636 0.789 -16.397 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.963 2.660 -16.562 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.722 2.156 -14.873 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.066 3.630 -15.482 1.00 25.00 H new ATOM 0 HD21 LEU B 6 0.877 2.434 -18.213 1.00 25.00 H new ATOM 0 HD22 LEU B 6 1.947 3.416 -17.184 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.455 1.791 -17.702 1.00 25.00 H new ATOM 423 N CYS B 7 5.338 1.159 -14.433 1.00 25.00 N ATOM 424 CA CYS B 7 6.414 1.387 -13.479 1.00 25.00 C ATOM 425 C CYS B 7 7.383 2.410 -14.048 1.00 25.00 C ATOM 426 O CYS B 7 7.410 2.626 -15.263 1.00 25.00 O ATOM 427 CB CYS B 7 7.147 0.069 -13.208 1.00 25.00 C ATOM 428 SG CYS B 7 7.945 -0.007 -11.571 1.00 25.00 S ATOM 0 H CYS B 7 5.628 1.176 -15.411 1.00 25.00 H new ATOM 0 HA CYS B 7 6.000 1.764 -12.544 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.438 -0.754 -13.295 1.00 25.00 H new ATOM 0 HB3 CYS B 7 7.904 -0.080 -13.978 1.00 25.00 H new ATOM 433 N GLY B 8 8.173 3.035 -13.186 1.00 25.00 N ATOM 434 CA GLY B 8 9.146 4.018 -13.640 1.00 25.00 C ATOM 435 C GLY B 8 8.484 5.157 -14.387 1.00 25.00 C ATOM 436 O GLY B 8 7.380 5.582 -14.047 1.00 25.00 O ATOM 0 H GLY B 8 8.160 2.881 -12.178 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.691 4.413 -12.783 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.877 3.534 -14.288 1.00 25.00 H new ATOM 440 N SER B 9 9.133 5.620 -15.444 1.00 25.00 N ATOM 441 CA SER B 9 8.605 6.708 -16.262 1.00 25.00 C ATOM 442 C SER B 9 7.243 6.393 -16.873 1.00 25.00 C ATOM 443 O SER B 9 6.440 7.289 -17.079 1.00 25.00 O ATOM 444 CB SER B 9 9.599 7.004 -17.381 1.00 25.00 C ATOM 445 OG SER B 9 10.917 6.754 -16.919 1.00 25.00 O ATOM 0 H SER B 9 10.033 5.258 -15.760 1.00 25.00 H new ATOM 0 HA SER B 9 8.468 7.570 -15.609 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.382 6.382 -18.249 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.505 8.042 -17.701 1.00 25.00 H new ATOM 0 HG SER B 9 11.557 6.942 -17.637 1.00 25.00 H new ATOM 451 N HIS B 10 6.961 5.121 -17.137 1.00 25.00 N ATOM 452 CA HIS B 10 5.673 4.738 -17.726 1.00 25.00 C ATOM 453 C HIS B 10 4.517 5.097 -16.811 1.00 25.00 C ATOM 454 O HIS B 10 3.447 5.458 -17.278 1.00 25.00 O ATOM 455 CB HIS B 10 5.629 3.238 -18.022 1.00 25.00 C ATOM 456 CG HIS B 10 5.604 2.921 -19.484 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.428 2.777 -20.230 1.00 25.00 N ATOM 458 CD2 HIS B 10 6.607 2.715 -20.375 1.00 25.00 C ATOM 459 CE1 HIS B 10 4.755 2.508 -21.488 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.057 2.472 -21.595 1.00 25.00 N ATOM 0 H HIS B 10 7.595 4.343 -16.957 1.00 25.00 H new ATOM 0 HA HIS B 10 5.573 5.293 -18.658 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.498 2.760 -17.569 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.746 2.808 -17.549 1.00 25.00 H new ATOM 0 HD2 HIS B 10 7.664 2.740 -20.153 1.00 25.00 H new ATOM 0 HE1 HIS B 10 4.056 2.345 -22.295 1.00 25.00 H new ATOM 0 HE2 HIS B 10 6.576 2.291 -22.454 1.00 25.00 H new ATOM 469 N LEU B 11 4.736 5.008 -15.507 1.00 25.00 N ATOM 470 CA LEU B 11 3.696 5.343 -14.539 1.00 25.00 C ATOM 471 C LEU B 11 3.387 6.832 -14.619 1.00 25.00 C ATOM 472 O LEU B 11 2.234 7.234 -14.648 1.00 25.00 O ATOM 473 CB LEU B 11 4.164 4.970 -13.128 1.00 25.00 C ATOM 474 CG LEU B 11 3.172 5.198 -11.974 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.916 4.351 -12.128 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.868 4.852 -10.664 1.00 25.00 C ATOM 0 H LEU B 11 5.619 4.708 -15.094 1.00 25.00 H new ATOM 0 HA LEU B 11 2.790 4.782 -14.767 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.441 3.916 -13.132 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.070 5.537 -12.912 1.00 25.00 H new ATOM 0 HG LEU B 11 2.862 6.243 -11.984 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.243 4.543 -11.292 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.417 4.607 -13.062 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.188 3.296 -12.140 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.179 5.008 -9.834 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.182 3.809 -10.684 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.741 5.492 -10.536 1.00 25.00 H new ATOM 488 N VAL B 12 4.431 7.639 -14.703 1.00 25.00 N ATOM 489 CA VAL B 12 4.281 9.093 -14.776 1.00 25.00 C ATOM 490 C VAL B 12 3.612 9.491 -16.095 1.00 25.00 C ATOM 491 O VAL B 12 2.714 10.322 -16.120 1.00 25.00 O ATOM 492 CB VAL B 12 5.674 9.781 -14.653 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.546 11.296 -14.680 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.370 9.335 -13.352 1.00 25.00 C ATOM 0 H VAL B 12 5.398 7.316 -14.723 1.00 25.00 H new ATOM 0 HA VAL B 12 3.650 9.422 -13.950 1.00 25.00 H new ATOM 0 HB VAL B 12 6.277 9.477 -15.509 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.535 11.746 -14.592 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.088 11.606 -15.619 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.923 11.623 -13.848 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.343 9.821 -13.275 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.756 9.615 -12.496 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.505 8.253 -13.364 1.00 25.00 H new ATOM 504 N GLU B 13 4.018 8.852 -17.183 1.00 25.00 N ATOM 505 CA GLU B 13 3.443 9.125 -18.502 1.00 25.00 C ATOM 506 C GLU B 13 1.953 8.803 -18.515 1.00 25.00 C ATOM 507 O GLU B 13 1.161 9.489 -19.152 1.00 25.00 O ATOM 508 CB GLU B 13 4.148 8.282 -19.568 1.00 25.00 C ATOM 509 CG GLU B 13 5.554 8.761 -19.903 1.00 25.00 C ATOM 510 CD GLU B 13 6.274 7.820 -20.829 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.427 6.642 -20.610 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.712 8.387 -21.896 1.00 25.00 O ATOM 0 H GLU B 13 4.746 8.137 -17.183 1.00 25.00 H new ATOM 0 HA GLU B 13 3.582 10.184 -18.721 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.199 7.249 -19.225 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.547 8.287 -20.477 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.499 9.748 -20.363 1.00 25.00 H new ATOM 0 HG3 GLU B 13 6.127 8.870 -18.982 1.00 25.00 H new ATOM 520 N ALA B 14 1.572 7.757 -17.799 1.00 25.00 N ATOM 521 CA ALA B 14 0.178 7.348 -17.747 1.00 25.00 C ATOM 522 C ALA B 14 -0.654 8.360 -16.964 1.00 25.00 C ATOM 523 O ALA B 14 -1.794 8.630 -17.313 1.00 25.00 O ATOM 524 CB ALA B 14 0.071 5.977 -17.110 1.00 25.00 C ATOM 0 H ALA B 14 2.206 7.178 -17.248 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.211 7.303 -18.764 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.975 5.674 -17.073 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.637 5.256 -17.700 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.474 6.013 -16.098 1.00 25.00 H new ATOM 530 N LEU B 15 -0.082 8.916 -15.907 1.00 25.00 N ATOM 531 CA LEU B 15 -0.804 9.867 -15.064 1.00 25.00 C ATOM 532 C LEU B 15 -1.171 11.143 -15.815 1.00 25.00 C ATOM 533 O LEU B 15 -2.236 11.711 -15.567 1.00 25.00 O ATOM 534 CB LEU B 15 0.017 10.204 -13.816 1.00 25.00 C ATOM 535 CG LEU B 15 0.103 9.094 -12.754 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.080 9.480 -11.651 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.266 8.816 -12.171 1.00 25.00 C ATOM 0 H LEU B 15 0.876 8.729 -15.610 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.736 9.388 -14.764 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.029 10.462 -14.128 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.410 11.093 -13.352 1.00 25.00 H new ATOM 0 HG LEU B 15 0.469 8.187 -13.235 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.126 8.682 -10.910 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.070 9.635 -12.080 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.744 10.400 -11.173 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.189 8.029 -11.421 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.655 9.722 -11.707 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.941 8.497 -12.965 1.00 25.00 H new ATOM 549 N TYR B 16 -0.358 11.544 -16.787 1.00 25.00 N ATOM 550 CA TYR B 16 -0.704 12.696 -17.628 1.00 25.00 C ATOM 551 C TYR B 16 -2.014 12.431 -18.354 1.00 25.00 C ATOM 552 O TYR B 16 -2.856 13.306 -18.463 1.00 25.00 O ATOM 553 CB TYR B 16 0.376 12.978 -18.681 1.00 25.00 C ATOM 554 CG TYR B 16 1.592 13.697 -18.146 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.563 15.090 -17.919 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.785 13.001 -17.878 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.706 15.770 -17.416 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.931 13.681 -17.387 1.00 25.00 C ATOM 559 CZ TYR B 16 3.878 15.056 -17.155 1.00 25.00 C ATOM 560 OH TYR B 16 4.986 15.702 -16.671 1.00 25.00 O ATOM 0 H TYR B 16 0.532 11.100 -17.014 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.791 13.560 -16.970 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.692 12.033 -19.123 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.061 13.574 -19.482 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.662 15.646 -18.130 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.830 11.935 -18.048 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.668 16.834 -17.236 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.842 13.135 -17.193 1.00 25.00 H new ATOM 0 HH TYR B 16 5.712 15.056 -16.545 1.00 25.00 H new ATOM 570 N LEU B 17 -2.187 11.219 -18.853 1.00 25.00 N ATOM 571 CA LEU B 17 -3.404 10.870 -19.579 1.00 25.00 C ATOM 572 C LEU B 17 -4.613 10.750 -18.660 1.00 25.00 C ATOM 573 O LEU B 17 -5.715 11.141 -19.019 1.00 25.00 O ATOM 574 CB LEU B 17 -3.228 9.536 -20.297 1.00 25.00 C ATOM 575 CG LEU B 17 -2.082 9.430 -21.315 1.00 25.00 C ATOM 576 CD1 LEU B 17 -1.950 7.975 -21.770 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.311 10.336 -22.526 1.00 25.00 C ATOM 0 H LEU B 17 -1.508 10.462 -18.772 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.580 11.677 -20.291 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.081 8.763 -19.542 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.160 9.305 -20.813 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.163 9.759 -20.831 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.138 7.892 -22.493 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.735 7.343 -20.909 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -2.883 7.653 -22.233 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.478 10.231 -23.221 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.238 10.051 -23.024 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.381 11.373 -22.197 1.00 25.00 H new ATOM 589 N VAL B 18 -4.409 10.146 -17.499 1.00 25.00 N ATOM 590 CA VAL B 18 -5.506 9.868 -16.570 1.00 25.00 C ATOM 591 C VAL B 18 -6.042 11.150 -15.962 1.00 25.00 C ATOM 592 O VAL B 18 -7.258 11.345 -15.859 1.00 25.00 O ATOM 593 CB VAL B 18 -5.036 8.908 -15.441 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.109 8.731 -14.370 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.687 7.553 -16.033 1.00 25.00 C ATOM 0 H VAL B 18 -3.494 9.836 -17.173 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.306 9.389 -17.135 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.157 9.350 -14.972 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.744 8.054 -13.598 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.341 9.698 -13.924 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.009 8.315 -14.822 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.358 6.883 -15.239 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.566 7.132 -16.522 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -3.887 7.670 -16.764 1.00 25.00 H new ATOM 605 N CYS B 19 -5.151 12.035 -15.551 1.00 25.00 N ATOM 606 CA CYS B 19 -5.593 13.281 -14.945 1.00 25.00 C ATOM 607 C CYS B 19 -5.859 14.358 -15.995 1.00 25.00 C ATOM 608 O CYS B 19 -6.631 15.293 -15.748 1.00 25.00 O ATOM 609 CB CYS B 19 -4.610 13.760 -13.883 1.00 25.00 C ATOM 610 SG CYS B 19 -5.424 13.765 -12.253 1.00 25.00 S ATOM 0 H CYS B 19 -4.140 11.921 -15.622 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.542 13.082 -14.446 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.736 13.109 -13.862 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.256 14.762 -14.127 1.00 25.00 H new ATOM 615 N GLY B 20 -5.288 14.206 -17.181 1.00 25.00 N ATOM 616 CA GLY B 20 -5.519 15.169 -18.241 1.00 25.00 C ATOM 617 C GLY B 20 -5.021 16.556 -17.880 1.00 25.00 C ATOM 618 O GLY B 20 -3.984 16.724 -17.242 1.00 25.00 O ATOM 0 H GLY B 20 -4.669 13.434 -17.429 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -5.020 14.832 -19.150 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.586 15.215 -18.461 1.00 25.00 H new ATOM 622 N GLU B 21 -5.801 17.553 -18.272 1.00 25.00 N ATOM 623 CA GLU B 21 -5.481 18.968 -18.041 1.00 25.00 C ATOM 624 C GLU B 21 -5.313 19.326 -16.554 1.00 25.00 C ATOM 625 O GLU B 21 -4.628 20.290 -16.224 1.00 25.00 O ATOM 626 CB GLU B 21 -6.600 19.816 -18.678 1.00 25.00 C ATOM 627 CG GLU B 21 -6.419 21.341 -18.576 1.00 25.00 C ATOM 628 CD GLU B 21 -6.946 21.907 -17.280 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.717 21.332 -16.557 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.505 23.084 -17.018 1.00 25.00 O ATOM 0 H GLU B 21 -6.683 17.409 -18.764 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.515 19.177 -18.500 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.680 19.547 -19.731 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -7.546 19.548 -18.208 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.360 21.584 -18.669 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.931 21.820 -19.411 1.00 25.00 H new ATOM 638 N ARG B 22 -5.910 18.544 -15.662 1.00 25.00 N ATOM 639 CA ARG B 22 -5.825 18.815 -14.220 1.00 25.00 C ATOM 640 C ARG B 22 -4.399 18.712 -13.692 1.00 25.00 C ATOM 641 O ARG B 22 -4.053 19.357 -12.710 1.00 25.00 O ATOM 642 CB ARG B 22 -6.700 17.828 -13.444 1.00 25.00 C ATOM 643 CG ARG B 22 -8.193 17.981 -13.720 1.00 25.00 C ATOM 644 CD ARG B 22 -8.985 16.862 -13.061 1.00 25.00 C ATOM 645 NE ARG B 22 -8.780 15.577 -13.753 1.00 25.00 N ATOM 646 CZ ARG B 22 -9.267 14.407 -13.360 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.975 14.270 -12.267 1.00 25.00 N ATOM 648 NH2 ARG B 22 -9.037 13.348 -14.078 1.00 25.00 N ATOM 0 H ARG B 22 -6.458 17.718 -15.904 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.174 19.837 -14.075 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.396 16.812 -13.695 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.522 17.960 -12.377 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.539 18.945 -13.347 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.371 17.973 -14.795 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.684 16.767 -12.018 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -10.046 17.114 -13.065 1.00 25.00 H new ATOM 0 HE ARG B 22 -8.218 15.588 -14.604 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.171 15.082 -11.681 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.331 13.352 -12.001 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.487 13.422 -14.934 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.406 12.443 -13.785 1.00 25.00 H new ATOM 662 N GLY B 23 -3.584 17.893 -14.338 1.00 25.00 N ATOM 663 CA GLY B 23 -2.221 17.689 -13.884 1.00 25.00 C ATOM 664 C GLY B 23 -2.160 16.795 -12.658 1.00 25.00 C ATOM 665 O GLY B 23 -3.177 16.290 -12.191 1.00 25.00 O ATOM 0 H GLY B 23 -3.841 17.364 -15.171 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.634 17.244 -14.687 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.767 18.653 -13.653 1.00 25.00 H new ATOM 669 N PHE B 24 -0.950 16.569 -12.168 1.00 25.00 N ATOM 670 CA PHE B 24 -0.693 15.714 -11.010 1.00 25.00 C ATOM 671 C PHE B 24 0.744 16.020 -10.624 1.00 25.00 C ATOM 672 O PHE B 24 1.430 16.742 -11.350 1.00 25.00 O ATOM 673 CB PHE B 24 -0.809 14.228 -11.373 1.00 25.00 C ATOM 674 CG PHE B 24 0.251 13.764 -12.331 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.141 14.044 -13.700 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.379 13.062 -11.865 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.149 13.649 -14.597 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.395 12.654 -12.762 1.00 25.00 C ATOM 679 CZ PHE B 24 2.277 12.957 -14.132 1.00 25.00 C ATOM 0 H PHE B 24 -0.105 16.978 -12.566 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.410 15.902 -10.211 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.750 13.633 -10.462 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.790 14.044 -11.811 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.727 14.569 -14.070 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.470 12.833 -10.814 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.054 13.879 -15.648 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.256 12.113 -12.398 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.052 12.658 -14.822 1.00 25.00 H new ATOM 689 N PHE B 25 1.228 15.407 -9.558 1.00 25.00 N ATOM 690 CA PHE B 25 2.640 15.480 -9.207 1.00 25.00 C ATOM 691 C PHE B 25 3.039 14.093 -8.723 1.00 25.00 C ATOM 692 O PHE B 25 2.177 13.263 -8.447 1.00 25.00 O ATOM 693 CB PHE B 25 2.890 16.538 -8.126 1.00 25.00 C ATOM 694 CG PHE B 25 2.227 16.231 -6.812 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.923 16.683 -6.546 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.915 15.506 -5.820 1.00 25.00 C ATOM 697 CE1 PHE B 25 0.302 16.405 -5.307 1.00 25.00 C ATOM 698 CE2 PHE B 25 2.303 15.222 -4.575 1.00 25.00 C ATOM 699 CZ PHE B 25 0.995 15.679 -4.318 1.00 25.00 C ATOM 0 H PHE B 25 0.663 14.850 -8.917 1.00 25.00 H new ATOM 0 HA PHE B 25 3.239 15.778 -10.068 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.964 16.635 -7.967 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.533 17.503 -8.486 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.390 17.249 -7.296 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.921 15.163 -6.011 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -0.704 16.749 -5.118 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.837 14.657 -3.825 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.526 15.474 -3.367 1.00 25.00 H new ATOM 709 N TYR B 26 4.333 13.837 -8.630 1.00 25.00 N ATOM 710 CA TYR B 26 4.832 12.548 -8.168 1.00 25.00 C ATOM 711 C TYR B 26 6.049 12.811 -7.298 1.00 25.00 C ATOM 712 O TYR B 26 6.873 13.655 -7.634 1.00 25.00 O ATOM 713 CB TYR B 26 5.213 11.665 -9.354 1.00 25.00 C ATOM 714 CG TYR B 26 5.679 10.301 -8.915 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.751 9.277 -8.650 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.050 10.033 -8.729 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.183 8.001 -8.212 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.487 8.756 -8.294 1.00 25.00 C ATOM 719 CZ TYR B 26 6.547 7.752 -8.039 1.00 25.00 C ATOM 720 OH TYR B 26 6.965 6.516 -7.614 1.00 25.00 O ATOM 0 H TYR B 26 5.063 14.508 -8.869 1.00 25.00 H new ATOM 0 HA TYR B 26 4.061 12.026 -7.601 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.355 11.559 -10.017 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.002 12.150 -9.929 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.696 9.466 -8.782 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.776 10.809 -8.920 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.461 7.223 -8.012 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.541 8.560 -8.160 1.00 25.00 H new ATOM 0 HH TYR B 26 7.943 6.507 -7.546 1.00 25.00 H new ATOM 730 N THR B 27 6.148 12.109 -6.179 1.00 25.00 N ATOM 731 CA THR B 27 7.232 12.327 -5.225 1.00 25.00 C ATOM 732 C THR B 27 8.094 11.079 -5.005 1.00 25.00 C ATOM 733 O THR B 27 7.762 10.204 -4.193 1.00 25.00 O ATOM 734 CB THR B 27 6.657 12.787 -3.879 1.00 25.00 C ATOM 735 OG1 THR B 27 5.504 12.004 -3.561 1.00 25.00 O ATOM 736 CG2 THR B 27 6.218 14.233 -3.964 1.00 25.00 C ATOM 0 H THR B 27 5.489 11.380 -5.906 1.00 25.00 H new ATOM 0 HA THR B 27 7.875 13.097 -5.651 1.00 25.00 H new ATOM 0 HB THR B 27 7.429 12.672 -3.118 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.731 11.052 -3.612 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.812 14.547 -3.002 1.00 25.00 H new ATOM 0 HG22 THR B 27 7.074 14.859 -4.218 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.452 14.336 -4.732 1.00 25.00 H new ATOM 744 N PRO B 28 9.229 10.978 -5.721 1.00 25.00 N ATOM 745 CA PRO B 28 10.097 9.837 -5.415 1.00 25.00 C ATOM 746 C PRO B 28 10.778 10.043 -4.062 1.00 25.00 C ATOM 747 O PRO B 28 10.948 11.171 -3.613 1.00 25.00 O ATOM 748 CB PRO B 28 11.108 9.862 -6.563 1.00 25.00 C ATOM 749 CG PRO B 28 11.219 11.300 -6.914 1.00 25.00 C ATOM 750 CD PRO B 28 9.824 11.854 -6.749 1.00 25.00 C ATOM 0 HA PRO B 28 9.571 8.886 -5.339 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.070 9.451 -6.257 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.764 9.270 -7.411 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.926 11.812 -6.261 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.577 11.430 -7.935 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.840 12.896 -6.429 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.263 11.816 -7.683 1.00 25.00 H new ATOM 758 N LYS B 29 11.160 8.956 -3.408 1.00 25.00 N ATOM 759 CA LYS B 29 11.823 9.039 -2.103 1.00 25.00 C ATOM 760 C LYS B 29 12.998 8.090 -2.087 1.00 25.00 C ATOM 761 O LYS B 29 12.841 6.877 -2.208 1.00 25.00 O ATOM 762 CB LYS B 29 10.857 8.688 -0.966 1.00 25.00 C ATOM 763 CG LYS B 29 9.650 9.631 -0.864 1.00 25.00 C ATOM 764 CD LYS B 29 8.903 9.517 0.476 1.00 25.00 C ATOM 765 CE LYS B 29 8.212 8.159 0.670 1.00 25.00 C ATOM 766 NZ LYS B 29 9.097 7.160 1.375 1.00 25.00 N ATOM 0 H LYS B 29 11.025 8.006 -3.753 1.00 25.00 H new ATOM 0 HA LYS B 29 12.164 10.063 -1.949 1.00 25.00 H new ATOM 0 HB2 LYS B 29 10.499 7.669 -1.108 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.401 8.706 -0.021 1.00 25.00 H new ATOM 0 HG2 LYS B 29 9.988 10.659 -0.998 1.00 25.00 H new ATOM 0 HG3 LYS B 29 8.958 9.414 -1.678 1.00 25.00 H new ATOM 0 HD2 LYS B 29 9.607 9.679 1.292 1.00 25.00 H new ATOM 0 HD3 LYS B 29 8.157 10.309 0.537 1.00 25.00 H new ATOM 0 HE2 LYS B 29 7.296 8.299 1.245 1.00 25.00 H new ATOM 0 HE3 LYS B 29 7.921 7.760 -0.302 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 9.004 6.231 0.918 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 10.087 7.475 1.322 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 8.811 7.085 2.372 1.00 25.00 H new ATOM 780 N THR B 30 14.192 8.639 -1.961 1.00 25.00 N ATOM 781 CA THR B 30 15.420 7.851 -1.950 1.00 25.00 C ATOM 782 C THR B 30 15.634 7.161 -0.601 1.00 25.00 C ATOM 783 O THR B 30 16.355 7.568 0.285 1.00 25.00 O ATOM 784 CB THR B 30 16.599 8.777 -2.302 1.00 25.00 C ATOM 785 OG1 THR B 30 16.458 9.956 -1.520 1.00 25.00 O ATOM 786 CG2 THR B 30 16.521 9.196 -3.780 1.00 25.00 C ATOM 787 OXT THR B 30 14.887 6.103 -0.454 1.00 25.00 O ATOM 0 H THR B 30 14.343 9.643 -1.863 1.00 25.00 H new ATOM 0 HA THR B 30 15.347 7.057 -2.693 1.00 25.00 H new ATOM 0 HB THR B 30 17.541 8.262 -2.114 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.455 9.719 -0.569 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.360 9.851 -4.017 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.563 8.309 -4.412 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.585 9.726 -3.959 1.00 25.00 H new TER 796 THR B 30